,Unnamed: 0.1,Unnamed: 0,descriptions,smiles,sequences,generic_name,drugbank_id
0,0,0,Not Available,OC(=O)C1=NSN=C1O,,Isoflurophate,DB03849
1,1,1,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O,,Nitroaspirin,DB08022
2,2,2,Not Available,[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)CN1C(O)=C(CCC(O)=O)N=C2C(O)=NC(=O)N=C12,,Pyridostigmine,DB15067
3,3,3,"Tazarotene is an acetylenic retinoid used to treat fine wrinkles, mottled pigmentation of the skin, acne vulgaris, and plaque psoriasis.",CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1,,"(3R,4R)-3-Hydroxy-4-(hydroxymethyl)-1-[(4-oxo-4,4a,5,7a-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidinium",DB02106
4,4,4,A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O,,Putrescine,DB03134
5,5,5,"Fencamfamin (Glucoenergan, Reactivan) is a stimulant which was developed in the 1960s as an appetite suppressant, but was later withdrawn for this application due to problems with dependence and abuse. It is around half the potency of dexamphetamine, and is prescribed at a dose of 10-60mg, although abusers of the drug tend to rapidly develop tolerance and escalate their dose. Fencamfamin is used for treating depressive day-time fatigue, lack of concentration and lethargy. It is especially useful in patients with chronic conditions due to its favourable safety profile.",CCNC1C2CCC(C2)C1C1=CC=CC=C1,,"Adenosine-5'-diphosphate-2',3'-vanadate",DB03723
6,6,6,Not Available,N[C@@H](CCC(O)=O)C(N)=O,,Carphenazine,DB00233
7,7,7,Not Available,COC(=O)N[C@@H](C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,,Adenosine-5'-Pentaphosphate,DB03133
8,8,8,Not Available,[H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O,,(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE],DB08373
9,9,9,Dipyridamole is a phosphodiesterase inhibitor used to prevent postoperative thromboembolic events.,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1,,"1,2,4-Triazole-Carboxamidine",DB13746
10,10,10,Clascoterone is an androgen receptor antagonist used for the topical treatment of acne vulgaris in patients 12 years of age and older.,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,(2-{[(4-BROMO-2-FLUOROBENZYL)AMINO]CARBONYL}-5-CHLOROPHENOXY)ACETIC ACID,DB01800
11,11,11,"Aminolevulinic acid is a porphyrin precursor used to treat actinic keratosis of the face, scalp, and upper extremities, as well as to visualize a glioma.",NCC(=O)CCC(O)=O,,"7,9-Dimethylguanine",DB03192
12,12,12,Sotalol is a methane sulfonanilide beta adrenergic antagonist used to treat life-threatening ventricular arrhythmias and to maintain sinus rhythm in atrial fibrillation or flutter.,CC(C)NCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,,Dodecyldimethylamine N-oxide,DB07735
13,13,13,Not Available,[H][C@](CC(C)C)(N(CC1=CC=CC=C1)[P@](C)(=O)C1=CC=CC=C1)C(=O)NO,,Antithrombin Alfa,DB00537
14,14,14,Choline is a nutrient found in a wide variety of vitamins including pre-natal formulations.,C[N+](C)(C)CCO,,Dodecyl sulfate,DB08330
15,15,15,Not Available,[Zn].[H]O[H].[H]O[H].[H]O[H],,Desvenlafaxine,DB03118
16,16,16,Lefamulin is a pleuromutilin antibacterial used to treat community-acquired bacterial pneumonia (CABP).,[H][C@@]12C(=O)CC[C@]11CCC(C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@@H]1CC[C@@H](N)C[C@H]1O,,Buserelin,DB05079
17,17,17,"Etesevimab (LY-CoV016, also known as JS016) is a fully human and recombinant monoclonal antibody that targets the SARS-CoV-2 surface spike protein receptor binding domain.1,2 Under the EUA granted in February 2021, etesevimab is used in combination with bamlanivimab to treat mild to moderate COVID-19 in adults and pediatric patients who are at high risk for progressing to severe COVID-19:4 this EUA later expanded in December 2021 to include all younger children at high risk, including newborns.3 The EUA currently allows bamlanivimab and etesevimab for post-exposure prophylaxis of COVID-19 in adults and children.4",,,CRA_1802,DB02877
18,18,18,Tipranavir is a protease inhibitor used to treat HIV-1 resistant to more than 1 protease inhibitor.,[H][C@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O,,Y-27632,DB03961
19,19,19,Epicriptine is a nootropic with an unknown mechanism of action indicated in individuals over sixty who manifest signs and symptoms of an idiopathic decline in mental capacity.,[H][C@@]12CCCN1C(=O)[C@]([H])([C@H](C)CC)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,,Tretinoin,DB07642
20,20,20,Not Available,[H][C@@](O)(CCCCCCCCC)CC(O)=O,,3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid,DB03127
21,21,21,Boceprevir is a hepatitis C virus NS3/4A protease inhibitor used in combination with other medications to treat chronic hepatitis C genotype 1 infection. Boceprevir is not indicated as monotherapy.,[H][C@]12CN([C@H](C(=O)NC(CC3CCC3)C(=O)C(N)=O)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C,,Tecastemizole,DB05125
22,22,22,Not Available,[H][C@@](C)(CC1=CC=CC=C1)N(C)CC=C,,"(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",DB08105
23,23,23,A synthetic non-aromatizable androgen and anabolic steroid. It binds strongly to the androgen receptor and has therefore also been used as an affinity label for this receptor in the prostate and in prostatic tumors.,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],,5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID,DB04036
24,24,24,Not Available,C[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O,,7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester,DB03807
25,25,25,Not Available,[H]N([H])[C@@H](CS)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,Corifollitropin alfa,DB06897
26,26,26,m-Chlorophenylpiperazine has been used in trials studying the treatment of Alcoholism.,ClC1=CC=CC(=C1)N1CCNCC1,,2-Keto-3-Deoxygluconate,DB07358
27,27,27,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline,DB07269
28,28,28,Not Available,[H][P@]([O-])(=O)CCOC1=CC=C(C)C=C1,,Timolol,DB08519
29,29,29,Cetrimonium is a compound that can be used as a topical antiseptic.,CCCCCCCCCCCCCCCC[N+](C)(C)C,,Yohimbine,DB09020
30,30,30,Tinzaparin is a low molecular weight heparin used for the treatment of acute symptomatic deep vein thrombosis with or without pulmonary embolism when administered in conjunction with warfarin.,,,Guanosine-3'-monophosphate-5'-diphosphate,DB01754
31,31,31,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(\C=C\Br)C(=O)NC1=O,,NAP-226-90,DB01930
32,32,32,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]1([H])O[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Propylhexedrine,DB01127
33,33,33,"GRN163L is a novel anti-cancer drug. It has been characterized preclinically and shown to inhibit telomerase in human tumor cells of many cancer types (including lung, breast, prostate, liver, and early stage of human breast cancer), in both cell culture systems and animal models. Study of this drug shows the its potential utility in the treatment of patients with hematologic and solid tumor malignancies.",,,FR239087,DB04547
34,34,34,Not Available,[H][C@](S)(CCS)CCCCC(N)=O,,3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN,DB01700
35,35,35,Not Available,CC1=CC(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=CC=C1,,Tazobactam,DB04948
36,36,36,"Bentiromide is a dipeptide that is used in the bentiromide test, which is a screening test for evaluating pancreatic exocrine function and monitoring the adequacy of supplemental pancreatic therapy. It is typically administered orally. Cases of headache and gastrointestinal disturbances have been reported with the use of bentiromide. Bentiromide is currently not available in the U.S. or Canada.",OC(=O)C1=CC=C(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)C2=CC=CC=C2)C=C1,,6-Carboxymethyluracil,DB06612
37,37,37,"Gantacurium chloride is a new, investigational, non-depolarizing ultra-short acting neuromuscular blocker. It is being developed by Avera Pharmaceuticals.",COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)C(\Cl)=C\C(=O)OCCC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@@H]2C2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,,Nandrolone phenpropionate,DB06589
38,38,38,Tianeptine is an atypical tricyclic antidepressant with antidepressant and anxiolytic effects primarily used to treat major depressive disorder.,CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O,,Selpercatinib,DB00900
39,39,39,Not Available,N[C@@H](CC1=C[NH+]=CN1P(O)(O)=O)C(O)=O,,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",DB07486
40,40,40,Acemetacin is a NSAID indicated in the treatment of pain and inflammation.,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)OCC(O)=O,,N-Methyl-Pyridoxal-5'-Phosphate,DB13055
41,41,41,Not Available,NC1=NC=C(CC2=CC=CC=C2)S1,,"5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione",DB07707
42,42,42,Castor oil is an ingredient used in a variety of natural health products.,,,Nesiritide,DB09280
43,43,43,Nedosiran is an antisense oligonucleotide used to treat primary hyperoxaluria type 1 in adults and high oxalate levels in children,,,1D09C3,DB05116
44,44,44,Not Available,[H]N([H])C(N([H])[H])=[N+]([H])CCCOB1OCCO1,,Melperone,DB02340
45,45,45,Not Available,CN(CC=C)C\C=C\COC1=CC2=C(C=C1F)C(=NN2C)C1=CC=C(Br)C=C1,,Levofloxacin,DB01233
46,46,46,Lonafarnib is a potent farnesyl transferase inhibitor used to reduce mortality associated with Hutchinson-Gilford progeria syndrome (HGPS) and other progeroid laminopathies.,NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2C3=C(CCC4=C2C(Br)=CC(Cl)=C4)C=C(Br)C=N3)CC1,,"(2,6-Dimethylphenoxy)acetic acid",DB07012
47,47,47,Not Available,COC1=C(OC)C(=O)C(C\C=C(/C)CCC=C(C)C)=C(C)C1=O,,Phosphomethylphosphonic acid guanylate ester,DB02884
48,48,48,Avotaciclib is under investigation in clinical trial NCT03579836 (Evaluation of Safety and Efficacy in BEY1107 in Monotherapy Gemcitabine Combination in Patient With Pancreatic Cancer).,NC1=NC=CC(=N1)C1=NC(=C(O)C=C1)C1=NC(N)=NC=C1,,"(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE",DB07377
49,49,49,Not Available,[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC,,Carboxymycobactin S,DB02758
50,50,50,Tocofersolan is a derivative of alpha tocopherol used to treat vitamin E deficiencies.,,,2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE,DB03763
51,51,51,Prochlorperazine is a phenothiazine derivative used in the treatment of schizophrenia and anxiety and to relieve severe nausea and vomiting.,CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,,PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE,DB08892
52,52,52,Tesamorelin is a growth hormone releasing factor (GRF) analog used to reduce excessive abdominal fat in HIV patients who have developed lipodystrophy.,,YADAIFTNSYRKVLGQLSARKLLQDIMSRQQGESNQERGARARL,Afatinib,DB00100
53,53,53,Not Available,CCNC(=O)N1N=C(C[C@@]1(CCCN)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,,Alprostadil,DB09266
54,54,54,Isatin is an indole derivative first obtained by Erdman and Laurent in 1841 as an oxidation product of Indigo dye with nitric acid and chromic acids. The compound is found in many plants and Schiff bases of Isatin are have been investigated for pharmaceutical applications.,O=C1NC2=CC=CC=C2C1=O,,Fradafiban,DB01807
55,55,55,"Medrogestone is a progestin used as an adjunct to control secondary amenorrhea and dysfunctional bleeding in adolescent and adult females, and treat endometrial shedding in menopausal women.",[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,,1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE,DB03994
56,56,56,TP508 is a non-proteolytic synthetic peptide representing the portion of human thrombin originally identified as the fibroblast high-affinity receptor binding domain.,,,"2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid",DB07952
57,57,57,Not Available,NC1=CC=C2NC(=CC2=N1)C1=CC(CC(O)=O)=CC(=C1O)C1=CC=CC(=C1)[N+]([O-])=O,,"(5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-1-Octen-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}-5-heptenoic acid",DB05959
58,58,58,Not Available,[H][C@]1(CC2=C(CN1)C=CC=C2)C1=NC(C(O)=O)=C(S1)C(C)C,,Valine,DB06892
59,59,59,Not Available,O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,,CRx-139,DB02789
60,60,60,Not Available,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O,,N-(2-Aminoethyl)-1-aziridineethanamine,DB01890
61,61,61,Pyrophosphoric acid is an ingredient of a radiopharmaceutical used to visualize bone abnormalities and cardiovascular abnormalities and also used as an ingredient in some products to prevent iron deficiency anemia.,OP(O)(=O)OP(O)(O)=O,,"2-(3,4-Dihydroxyphenyl)Acetic Acid",DB14060
62,62,62,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,,Xanthinol,DB04369
63,63,63,"Motexafin gadolinium is studied in the treatment of cancer by Pharmacyclics. It may make tumor cells more sensitive to radiation therapy, improve tumor images using magnetic resonance imaging (MRI), and kill cancer cells. It belongs to the family of drugs called metalloporphyrin complexes. Also called gadolinium texaphyrin.",[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C(CC)/C2=C/C3=N/C(=C\N=C4/C=C(OCCOCCOCCOC)C(OCCOCCOCCOC)=C/C/4=N\C=C4/N=C(/C=C\1\[N-]\2)C(CCCO)=C4C)/C(C)=C3CCCO,,Phenformin,DB08168
64,64,64,Droxicam is an oxicam non-steroidal anti-inflammatory drug and a prodrug of Piroxicam. It is used to reduce pain and inflammation in musculoskeletal disorders such as rheumatoid arthritis and osteoarthritis.,CN1C2=C(OC(=O)N(C2=O)C2=CC=CC=N2)C2=CC=CC=C2S1(=O)=O,,Bioallethrin,DB06773
65,65,65,Not Available,[H][C@]1(CCCC[C@]1([H])C1=NNC(=S)N1)C(O)=O,,TPMPA,DB01289
66,66,66,Not Available,C[C@@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1,,(1S)-1-Phenylethyl (4-acetamidobenzyl)phosphonate,DB04185
67,67,67,Alvimopan is an opioid antagonist used to reduce healing time of the upper and lower gastrointestinal tract following surgical procedures that involve bowel resection with primary anastomosis.,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1,,Amineptine,DB00648
68,68,68,Not Available,[H][C@@]1(SC=C(NC=C1C=O)C(O)=O)C1=CN(C)N=N1,,"4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE",DB02164
69,69,69,Ciclesonide is a glucocorticoid used in the symptomatic relief of nasal symptoms associated with seasonal and perennial allergic rhinitis in adults and adolescents.,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C,,Sennosides,DB04041
70,70,70,Ganaxolone is a neuroactive steroid GABA-A receptor modulator used for the treatment of seizures associated with CDKL5 deficiency disorder (CDD).,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](C)(O)CC[C@]12C,,Benzthiazide,DB01966
71,71,71,Ronacaleret is a calcium-sensing receptor antagonist.,CC(C)(CC1CC2=C(C1)C=CC=C2)NC[C@@H](O)COC1=CC(CCC(O)=O)=CC(F)=C1F,,N-acetyl-beta-neuraminic acid,DB07713
72,72,72,PD-168393 is an epidermal growth factor receptor inhibitor.,BrC1=CC(NC2=C3C=C(NC(=O)C=C)C=CC3=NC=N2)=CC=C1,,N-({4-[4-(2-Methyl-1H-imidazol-1-yl)butyl]phenyl}acetyl)-L-seryl-N-(2-cyclohexylethyl)-L-lysinamide,DB12532
73,73,73,Dexibuprofen is a pharmacologically active enantiomer of racemic ibuprofen (NSAID) used to treat pain and inflammation.,CC(C)CC1=CC=C(C=C1)[C@H](C)C(O)=O,,"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol",DB02053
74,74,74,Not Available,NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@@H](COP(O)(O)=O)C2=C3S[Mo](S)(=O)(=O)S2)C(=O)N1,,Coproporphyrinogen III,DB04614
75,75,75,Not Available,CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1,,Brecanavir,DB03065
76,76,76,Not Available,COC1=CC=C(C=C1)C1=C(N=C(N1)C1=CC=CS1)C1=CC=C(OC)C=C1,,Flavin-N7 protonated-adenine dinucleotide,DB04974
77,77,77,Not Available,CN(C)C1=CCC2=C(C3=CC=C(C=C3OC2=C1)N(C)C)C1=CC=C(C=C1C(O)=O)N1C(=O)C=CC1=O,,Adenosine-5'-Propylphosphate,DB00231
78,78,78,Avacopan is an orally bioavailable complement 5a receptor (C5aR) antagonist for the treatment of severe anti-neutrophil cytoplasmic (auto)antibody (ANCA)-associated vasculitis.,CC1=CC=C(NC(=O)[C@H]2CCCN([C@H]2C2=CC=C(NC3CCCC3)C=C2)C(=O)C2=C(F)C=CC=C2C)C=C1C(F)(F)F,,Dichloroacetic acid,DB01248
79,79,79,Not Available,ClC1=CC=C(C=C1)C1=CN=CN1,,Platelet Activating Factor,DB08950
80,80,80,Not Available,[H][C@](S)(CCS)CCCCC(O)=O,,"(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL",DB05304
81,81,81,"Puromycin is an antibiotic that prevents bacterial protein translation. It is utilized as a selective agent in laboratory cell cultures. Puromycin is toxic to both prokaryotic and eukaryotic cells, resulting in significant cell death at appropriate doses.",COC1=CC=C(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O)N2C=NC3=C2N=CN=C3N(C)C)C=C1,,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE,DB02258
82,82,82,Not Available,CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=CC(N)=C1,,Xylometazoline,DB02029
83,83,83,"Avalglucosidase alfa is a lysosomal glycogen-specific enzyme that is used to treat patients one year of age and older with late-onset Pompe disease, or lysosomal acid alpha-glucosidase (GAA) deficiency.",,QQGASRPGPRDAQAHPGRPRAVPTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGLQGAQMGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPRVHSRAPSPLYSVEFSEEPFGVIVHRQLDGRVLLNTTVAPLFFADQFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRITLWNRDLAPTPGANLYGSHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFLGPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTRAHFPLDVQWNDLDYMDSRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVDPAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNPTALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRGSEDGCPNNELENPPYVPGVVGGTLQAATICASSHQFLSTHYNLHNLYGLTEAIASHRALVKARGTRPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVGADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSLLSLPQEPYSFSEPAQQAMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQLLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPIEALGSLPPPPAAPREPAIHSEGQWVTLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARGELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVTVLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSLLMGEQFLVSWC,Alfuzosin,DB12489
84,84,84,Not Available,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=CC(Cl)=C(Cl)C=C12,,Adapalene,DB04946
85,85,85,Not Available,NC1=NC=CC(=N1)C1=C(N=CN1C1CCNCC1)C1=CC=C(F)C=C1,,"2,6-diaminoquinazolin-4-ol",DB08808
86,86,86,Not Available,CC(C)C1=CC=C(C=C1S(C)(=O)=O)C(=O)NC(N)=N,,Equine Botulinum Neurotoxin C Immune FAB2,DB01080
87,87,87,Not Available,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@@]1([H])SCCC(=N1)C(O)=O,,Proparacaine,DB00855
88,88,88,PRLX 93936 is selectively toxic to cancer cells.,,,3-Dehydroshikimate,DB02328
89,89,89,Elafibranor is a peroxisome proliferator-activated receptor agonist used to treat primary biliary cholangitis in adults with intolerance of inadequate response to ursodeoxycholic acid.,CSC1=CC=C(C=C1)C(=O)\C=C\C1=CC(C)=C(OC(C)(C)C(O)=O)C(C)=C1,,"4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium",DB02233
90,90,90,,[Mg++].CC([O-])=O.CC([O-])=O,,Nevirapine,DB00937
91,91,91,Not Available,OC(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,,(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid,DB03503
92,92,92,Not Available,CC1=C(C)C(=O)C2=CC=CC=C2C1=O,,"(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID",DB13961
93,93,93,"Guanethidine is an antihypertensive agent used in the management of moderate and severe hypertension, either alone or as an adjunct, and for the management of renal hypertension.",NC(N)=NCCN1CCCCCCC1,,3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,DB12371
94,94,94,Diethylcarbamazine is an anthelmintic used to treat filarial infections like Wuchereria bancrofti and Loa loa.,CCN(CC)C(=O)N1CCN(C)CC1,,Pegaptanib,DB01355
95,95,95,Not Available,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,,"N-[(5R,14R)-5-AMINO-5,14-DIMETHYL-4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-1(21),7(22),8,10,17,19-HEXAEN-19-YL]-N-METHYLMETHANESULFONAMIDE",DB07788
96,96,96,Bromazepam is a short-acting benzodiazepine with intermediate onset commonly used to treat panic disorders and severe anxiety.,BrC1=CC2=C(NC(=O)CN=C2C2=CC=CC=N2)C=C1,,Clascoterone,DB02184
97,97,97,Not Available,OC[C@H]1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O,,"(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide",DB00240
98,98,98,Not Available,CCCN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,,2-Naphthalenesulfonic acid,DB08872
99,99,99,"Befunolol is a beta blocker introduced in 1983 by Kakenyaku Kakko. It is currently in experimental status, and is being tested for the management of open angle glaucoma.",CC(C)NCC(O)COC1=CC=CC2=C1OC(=C2)C(C)=O,,NM-702,DB13988
100,100,100,Not Available,[H][C@]1(O)O[C@]([H])(COP(O)(=O)CP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,,4-(Carboxyvin-2-Yl)Phenylboronic Acid,DB14641
101,101,101,Not Available,C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO,,Irofulven,DB08431
102,102,102,Not Available,CCCCC1=C(NC2=NC=CN=C12)C1=CC=C(O)C=C1,,"6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",DB05099
103,103,103,Not Available,OC[C@H]1ONC[C@@H](O)[C@@H]1O,,2'-fluoro-2'-deoxyuridine 3'-monophosphate,DB08729
104,104,104,Not Available,CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,Des(carbamimidoyl) zanamivir,DB16474
105,105,105,Not Available,CCS(O)(=O)=O,,"L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide",DB13166
106,106,106,Not Available,[H][C@](CO)(NC(=O)C(Br)Br)[C@]([H])(O)C1=CC=C(C=C1)[N+]([O-])=O,,Artenimol,DB04345
107,107,107,Emricasan is the first caspase inhibitor tested in human which has received orphan drug status by FDA. It is developed by Pfizer and made in such a way that it protects liver cells from excessive apoptosis.,C[C@H](NC(=O)C(=O)NC1=C(C=CC=C1)C(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F,,Minaprine,DB05035
108,108,108,Tasonermin is a tumor necrosis factor alpha used along with surgery to remove soft tissue sarcomas of the limbs.,,VRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL,Losartan,DB00539
109,109,109,Not Available,[H]N=C1C=C(C[C@H](N)C(O)=O)C(=O)C=C1O,,Efalizumab,DB01535
110,110,110,Not Available,N[C@@H](CCC\[NH+]=C(/N)NCC=C)C(O)=O,,Methyl vanillate,DB00693
111,111,111,Loracarbef is a carbacephem antibiotic sometimes grouped together with the second-generation cephalosporin antibiotics. It is marketed under the trade name Lorabid.,N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,,Paroxetine,DB00600
112,112,112,Not Available,[H][C@](N)(CC1=CC=CC=C1)C(O)O,,Etomidate,DB02091
113,113,113,"A narcotic analgesic morphinan used as a sedative in veterinary practice. In certain countries, etorphine is classified as a Schedule 1 drug and hence, in these countries, it can be used legally only by health professionals and for research purposes. Etorphine is only available to the patients under an official prescription. In the US, Etorphine is listed as a Schedule I drug, although Etorphine hydrochloride is classified as Schedule II.",[H][C@]12CC3=C4C(OC5[C@@]4(CCN1C)[C@]21CC(C(C)(O)CCC)C5(OC)C=C1)=C(O)C=C3,,10-decarboxymethylaclacinomycin A,DB07898
114,114,114,Not Available,OCCOCCOCCOCCOCCOCCOCCS,,Amonafide,DB05150
115,115,115,Niguldipine is a calcium channel blocker drug (CCB) with a1-adrenergic antagonist properties.,[H]N1C(C)=C([C@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,,Ticarcillin,DB07351
116,116,116,Estradiol benzoate is an estrogen indicated in combination with progesterone for the treatment of irregular menstruation.,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)C5=CC=CC=C5)=CC=C4[C@@]3([H])CC[C@]12C,,N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide,DB13503
117,117,117,iCo-007 (formerly known as ISIS 13650) is a second generation antisense compound being developed by iCo for the treatment of various eye diseases caused by the formation of new blood vessels (angiogenesis) such as age-related macular degeneration (AMD) and diabetic retinopathy(DR).,,,Pivampicillin,DB03357
118,118,118,Not Available,[H][C@](N)(CC1=CC=C(O)C=C1)C=O,,Lexacalcitol,DB00916
119,119,119,Not Available,CC1=C(NC2=CC(=CN=C2)C(N)=O)C=C(C=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,,N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide,DB06101
120,120,120,"XL820 is investigated for use/treatment in solid tumors. XL820 is a solid. The proteins that XL820 inhibit include platelet-derived growth factor receptor beta (PDGFR), mast/stem cell growth factor receptor KIT, vascular endothelial growth factor receptor 2, and platelet-derived growth factor receptor alpha, clinically validated targets implicated in a variety of human cancers. XL820 exhibits dose-dependent growth inhibition in models of breast carcinoma, gliomas and leukemia.",,,Porphyrin Fe(III),DB04076
121,121,121,Not Available,OC(=O)CCC1=CC=C(S1)C1=CC(=CC=C1)[N+]([O-])=O,,Streptomycin,DB01174
122,122,122,Not Available,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1,,Ledipasvir,DB06868
123,123,123,Not Available,[H][C@@]12CO[C@@]([H])([C@H]1O)[C@@H](OS(O)(=O)=O)[C@@H](O)O2,,"4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one",DB01996
124,124,124,A primary source of energy for living organisms. It is naturally occurring and is found in fruits and other parts of plants in its free state. It is used therapeutically in fluid and nutrient replacement.,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,,Doxylamine,DB09539
125,125,125,Brexucabtagene autoleucel is a modified autologous chimeric antigen receptor (CAR) T cell therapy employing a modified murine anti-CD19 single-chain variable fragment linked to CD28 and CD3ζ co-stimulatory domains for the treatment of patients with relapsed and refractory mantle cell lymphoma.,,,P-Aminophenyl-Alpha-D-Galactopyranoside,DB07660
126,126,126,Cefaclor is a second generation cephalosporin used to treat a wide variety of infections in the body.,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,,Oseltamivir,DB03058
127,127,127,Not Available,[H][C@]1(CCCCN1C(C)=O)C(O)=O,,Semaglutide,DB14754
128,128,128,"Captodiame, also known as captodiamine, is an antihistamine which is used as a sedative and anxiolytic. It is a derivative of diphenhydramine. Captodiame has been suggested for use in preventing benzodiazepine withdrawal syndrome.",CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1,,Lovastatin,DB05916
129,129,129,Not Available,CCCC1=CC=CC=C1N,,(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid,DB07482
130,130,130,Cinacalcet is a calcium sensing receptor agonist used to treat secondary hyperparathyroidism in chronic kidney disease and hypercalcemia in parathyroid carcinoma.,C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12,,Secretin human,DB03083
131,131,131,CX-717 is an ampakine compound previously investigated for the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) and Alzheimer's disease.,O=C(N1CCOCC1)C1=CC2=NON=C2C=C1,,Pravastatin,DB07882
132,132,132,Not Available,CC(=C)CCO[P@](O)(=O)OP(O)(O)=O,,"CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",DB02541
133,133,133,"Clomipramine is a tricyclic antidepressant used in the treatment of obsessive-compulsive disorder and disorders with an obsessive-compulsive component, such as depression, schizophrenia, and Tourette’s disorder.",CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2,,Brofaromine,DB00292
134,134,134,Not Available,[H][C@]1(N(C(C)=O)C2=CC=CC(O)=C2NC2=C1C(=O)CC(C)(C)C2)C1=C(Cl)C=C(Cl)C=C1,,7-methyl-5'-guanylic acid,DB02383
135,135,135,"Lornoxicam is an NSAID indicated in the treatment of mild to moderate pain, as well as rheumatoid arthritis and osteoarthritis.",CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O,,Brivudine,DB04279
136,136,136,Not Available,N[C@@H](CCSC(F)F)C(O)=O,,Chlormezanone,DB00424
137,137,137,5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,,4-Methoxy-E-Rhodomycin T,DB00959
138,138,138,Not Available,CCCCCC1=CC(O)=C(OC2=CC=CC=C2)C=C1,,3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid,DB00740
139,139,139,"Geneticin (also known as G418) is an aminoglycoside antibiotic similar in structure to gentamicin B1, produced by Micromonospora rhodorangea. Geneticin blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells and is commonly used in laboratory research to select genetically engineered cells. Resistance to Geneticin is conferred by the neo gene from Tn5 encoding an aminoglycoside 3‘-phosphotransferase, APH 3‘ II.",[H][C@]1(O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O[C@]([H])([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1N,,Sucrosofate,DB00907
140,140,140,Not Available,[O-]C(=O)C\C(=C\C([O-])=O)C([O-])=O,,"1-(CYCLOHEXYLAMINO)-3-(6-METHYL-3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-2-OL",DB00866
141,141,141,Not Available,CSCC([O-])=O,,Rabeprazole,DB07910
142,142,142,Macimorelin is a medication used to treat adult growth hormone deficiency.,CC(C)(N)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@H](CC1=CNC2=CC=CC=C12)NC=O,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)",DB01213
143,143,143,Not Available,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,,Rasagiline,DB08751
144,144,144,A group of compounds that are derivatives of heptanedioic acid with the general formula R-C7H11O4. [PubChem],OC(=O)CCCCCC(O)=O,,p-Toluenesulfonic acid,DB01804
145,145,145,Not Available,[H][C@@](CC(O)=O)(OC(=O)\C=C\C1=CC=C(O)C=C1)[C@@]([H])(OC(=O)\C=C\C1=CC=C(O)C=C1)C(O)=O,,2-(3-OXO-PROPYLSULFANYLCARBONYL)-ETHANETHIOLATE,DB01184
146,146,146,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=C(C)C=CC=C12,,N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide,DB00415
147,147,147,Concanamycin A is an H+-ATPase (vacuolar) inhibitor.,[H][C@@]1(OC(=O)\C(OC)=C\C(\C)=C\[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@@H]1OC)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@H](C)[C@H](O1)\C=C\C,,Imidafenacin,DB02517
148,148,148,Ertapenem is a carbapenem antibiotic used for the treatment of moderate to severe infections caused by susceptible bacteria.,[H][C@]12[C@@H](C)C(S[C@]3([H])CN[C@@]([H])(C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,,Tocainide,DB07534
149,149,149,Not Available,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC(=C1)S(C)(=O)=O)CC1=CC(Cl)=CC=C1,,Ethylmorphine,DB08233
150,150,150,Interferon alfa-n1 is a purified form of human interferon used to stimulate the innate antiviral response in the treatment of genital warts due to human papilloma virus.,,CDLPQTHSLGSRRTLMLLAQMRKISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,CX157,DB04884
151,151,151,Gadopentetic acid is a gadolinium compound used as a contrast agent in MRIs.,[Gd+3].OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O,,Budigalimab,DB04714
152,152,152,Not Available,OC(=O)CCCNC=C1N=C(OC1=O)C1=CC=CC=C1,,RB106,DB03174
153,153,153,Not Available,NC1=CC2=C(O)N=C(N)N=C2C=C1,,"5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid",DB07909
154,154,154,"Ranibizumab is a recombinant humanized monoclonal antibody and VEGF-A antagonist used for the management of macular edema after retinal vein occlusion, age-related macular degeneration (wet), and diabetic macular edema.",,DIQLTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,N-acetyl-alpha-neuraminic acid,DB00579
155,155,155,Alemtuzumab is a monoclonal anti-CD52 antibody used in the treatment of B-cell chronic lymphocytic leukemia and relapsing forms of multiple sclerosis.,,QVQLQESGPGLVRPSQTLSLTCTVSGFTFTDFYMNWVRQPPGRGLEWIGFIRDKAKGYTTEYNPSVKGRVTMLVDTSKNQFSLRLSSVTAADTAVYYCAREGHTAAPFDYWGQGSLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Pidolic acid,DB05714
156,156,156,Not Available,[H][C@@](CC1=CC=C2OCOC2=C1)(C(O)=O)[C@]([H])(CC1=CC=C2OCOC2=C1)C(O)=O,,Diphenylpyraline,DB07069
157,157,157,Not Available,[H][C@]1(CCCN1C(C)=O)C(O)=O,,Vonoprazan,DB02350
158,158,158,Ferrous sulfate is an iron supplement used to prevent or treat iron deficiency anemia.,[Fe++].[O-]S([O-])(=O)=O,,FR117016,DB03719
159,159,159,Not Available,[H][C@@]12O[C@]1(C)CC[C@]1([H])[C@]2(C)CCC[N@+]1([O-])CC(=O)NC1=CC=C(NC(=O)CCCC(O)=O)C=C1,,"5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione",DB03632
160,160,160,Atezolizumab is a monoclonal antibody used to treat advanced or metastatic urothelial carcinoma with disease progression during or up to 12 months after platinum-containing chemotherapy.,,EVQLVESGGGLVQPGGSLRLSCAASGFTFSDSWIHWVRQAPGKGLEWVAWISPYGGSTYYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARRHWPGGFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYASTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID,DB07653
161,161,161,Not Available,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@H](C)CN1C=CC2=CC=CC=C12,,Tosyl-D-Proline,DB07189
162,162,162,"Dydrogesterone is a synthetic progesterone for menstrual cycle regulation, infertility treatment, prevention of miscarriage, and other conditions.",[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C,,Sulfadoxine,DB07697
163,163,163,Not Available,NC(=N)N1C=C2C=CC=C(C2=N1)[N+]([O-])=O,,(4-fluorophenyl)(pyridin-4-yl)methanone,DB12890
164,164,164,"Alfacalcidol is a vitamin D analogue used for the management of hypocalcemia, secondary hyperparathyroidism, and osteodystrophy in patients with chronic renal failure, as well as some types of rickets and osteomalacia.",CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,,Lanadelumab,DB02546
165,165,165,Not Available,OC1=CC=C2C(NN=C2C2=CC=C(O)C=C2O)=C1,,5-Methylpyrrole,DB12093
166,166,166,Not Available,CC1=NC(C)=C(S1)C1=NC(NC2=CC=CC(O)=C2)=NC=C1,,Tasimelteon,DB04515
167,167,167,Doxercalciferol is a synthetic vitamin D2 analog used to treat secondary hyperparathyroidism in patients with chronic kidney disease with or without therapy of dialysis.,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@H](C)C(C)C,,Trastuzumab emtansine,DB01130
168,168,168,Not Available,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,,Melatonin,DB09343
169,169,169,"CF 101 (known generically as IB-MECA) is an anti-inflammatory drug for rheumatoid arthritis patients. Its novel mechanism of action relies on antagonism of adenoside A3 receptors.
CF101 is supplied as an oral drug and has an excellent safety profile. It is also being considered for the treatment of other autoimmune-inflammatory disorders, such as Crohn's disease, psorasis and dry eye syndrome.",CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(NCC3=CC(I)=CC=C3)N=CN=C12,,"1-Ethyl-Pyrrolidine-2,5-Dione",DB02725
170,170,170,Trilostane is an inhibitor of 3 beta-hydroxysteroid dehydrogenase used in the treatment of Cushing's syndrome. It was withdrawn from the United States market in April 1994.,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]23O[C@@H]2C(O)=C(C[C@]13C)C#N,,Fulvestrant,DB08786
171,171,171,Not Available,CCOC1=C(F)C(CCNC(=S)NC2=NC=C(Cl)C=C2)=NC=C1,,Enoximone,DB05139
172,172,172,Dimethyl fumarate is a medication used to treat patients with the relapsing-remitting form of multiple sclerosis.,[H]\C(=C(\[H])C(=O)OC)C(=O)OC,,Tiludronic acid,DB04194
173,173,173,Not Available,C[C@@H](O)C1=CC=CC=C1,,beta-(1->4)-galactotriose,DB01257
174,174,174,Not Available,CC(=O)N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)NCC(O)=O,,Pyrazinamide,DB06231
175,175,175,"Ifosfamide is an alkylating and immunosuppressive agent used in chemotherapy for the treatment of cancers, including testicular cancer, ovarian cancer, cervical cancer, osteocarcinoma, bladder cancer, small cell lung cancer, and non-Hodgkin's lymphoma.",ClCCNP1(=O)OCCCN1CCCl,,S-23,DB03909
176,176,176,Alprostadil is a prostaglandin E1 agonist used for the treatment of erectile dysfunction and as an adjunct for its diagnosis.,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,,"4-[3-Methylsulfanylanilino]-6,7-Dimethoxyquinazoline",DB05255
177,177,177,"Streptokinase is a purified fibrinolytic bacterial protein used to breakdown thrombosis in myocardial infarction, pulmonary embolism, and venous thromboembolism.",,MKNYLSFGMFALLFALTFGTVNSVQAIAGPEWLLDRPSVNNSQLVVSVAGTVEGTNQDISLKFFEIDLTSRPAHGGKTEQGLSPKSKPFATDSGAMSHKLEKADLLKAIQEQLIANVHSNDDYFEVIDFASDATITDRNGKVYFADKDGSVTLPTQPVQEFLLSGHVRVRPYKEKPIQNQAKSVDVEYTVQFTPLNPDDDFRPGLKDTKLLKTLAIGDTITSQELLAQAQSILNKNHPGYTIYERDSSIVTHDNDIFRTILPMDQEFTYRVKNREQAYRINKKSGLNEEINNTDLISEKYYVLKKGEKPYDPFDRSHLKLFTIKYVDVDTNELLKSEQLLTASERNLDFRDLYDPRDKAKLLYNNLDAFGIMDYTLTGKVEDNHDDTNRIITVYMGKRPEGENASYHLAYDKDRYTEEEREVYSYLRYTGTPIPDNPNDK,Dactinomycin,DB12202
178,178,178,A disaccharide consisting of two glucose units in beta (1-4) glycosidic linkage. Obtained from the partial hydrolysis of cellulose. [PubChem],OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,,Efzofitimod,DB06937
179,179,179,Not Available,[H][C@]1(O)[C@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@@]([H])(OP(O)(O)=O)[C@]([H])(OP(O)(O)=O)[C@@]1([H])OP(O)(O)=O,,Cefradine,DB12130
180,180,180,Not Available,C=CS(=O)(=O)OC1=CC=CC=C1,,L-methionine (R)-S-oxide,DB01299
181,181,181,"Amoxicillin is a penicillin derivative used for the treatment of infections caused by gram-positive bacteria, in particular streptococcal bacteria causing upper respiratory tract infections.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,,Tolbutamide,DB07326
182,182,182,Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety.,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,,Prostaglandin D2,DB14805
183,183,183,Not Available,[H]\C(=C(\[H])[C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@]([H])(C[C@]([H])(C)C[C@]([H])(O)[C@]([H])(C)[C@@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)O[C@]([H])(N)O)OC)N(C)CO,,Fenfluramine,DB08754
184,184,184,Not Available,CSC1=NC(O)=C(CC2=CC=CS2)N1,,Leucine Phosphonic Acid,DB09006
185,185,185,Not Available,OC1=CC=C2C(O)=CC=CC2=C1,,"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone",DB00391
186,186,186,Not Available,FC1(F)OC2=C(O1)C=C(\C=C1/SC(=O)NC1=O)C=C2,,Platensimycin,DB00420
187,187,187,Not Available,N[C@@H](CSCP(O)(O)=O)C(O)=O,,Almonertinib,DB08040
188,188,188,Not Available,NS(=O)(=O)C1=CC=C2NC(=NC2=C1)C1=CSC=N1,,"N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide",DB07312
189,189,189,3-Methyl-thiofentanyl is a fentanyl analog and an opioid analgesic that works by inducing central nervous system (CNS) depression.,CCC(=O)N(C1CCN(CCC2=CC=CS2)CC1C)C1=CC=CC=C1,,CRA_16847,DB05831
190,190,190,Necitumumab is a monoclonal antibody used to treat metastatic squamous non-small cell lung cancer.,,QVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSASTKGPSVLPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Dimetacrine,DB07099
191,191,191,"Oxprenolol is a non-selective beta-adrenergic antagonist used to treat hypertension, angina pectoris, arrhythmias, and anxiety.",CC(C)NCC(O)COC1=CC=CC=C1OCC=C,,Vatalanib,DB04366
192,192,192,Not Available,N1C=CC2=C1C=CC=C2,,PhylloquinoneCommonly known or available as Vitamin K1,DB00004
193,193,193,"Tamoxifen is a selective estrogen receptor modulator used to treat estrogen receptor positive breast cancer, reduce the risk of invasive breast cancer following surgery, or reduce the risk of breast cancer in high risk women.",CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,,Clonazepam,DB04862
194,194,194,Not Available,O=C1N(CC2=NN=NN2)C=NC2=C1C1=C(CCCC1)S2,,alpha-D-Xylopyranose,DB14039
195,195,195,Not Available,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=C(C)C=C(OC)C(C)=C1C,,SR-9011,DB03095
196,196,196,Not Available,[H][C@]1(C\C=C\CCCC(O)=O)C=CC(=O)\C1=C/C=C/CCCCC,,Phenethylamine,DB04227
197,197,197,"Acalabrutinib is a Bruton tyrosine kinase inhibitor used to treat mantle cell lymphoma, chronic lymphocytic leukemia, and small lymphocytic lymphoma.",CC#CC(=O)N1CCC[C@H]1C1=NC(=C2N1C=CN=C2N)C1=CC=C(C=C1)C(=O)NC1=CC=CC=N1,,2-Methylbutanoic Acid,DB04577
198,198,198,Aprepitant is a substance P/neurokinin 1 receptor antagonist used to treat nausea and vomiting caused by chemotherapy and surgery.,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,,PPI-2458,DB08006
199,199,199,Not Available,IC1=CNC(=O)NC1=O,,"6,7-dioxo-5H-8-ribitylaminolumazine",DB06307
200,200,200,Cilgavimab is an extended half-life recombinant monoclonal IgG1κ antibody directed against the SARS-CoV-2 S protein for COVID-19 prophylaxis in individuals unable to undergo COVID-19 immunization.,,,N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE,DB08058
201,201,201,N-methylmesoporphyrin is a solid. This compound belongs to the porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. This medication is known to target ferrochelatase.,CCC1=C(C)C2=CC3=C(CC)C(C)=C(C=C4N=C(C=C5N\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C,,"2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole",DB05399
202,202,202,Not Available,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O)C(O)=O,,Rhein,DB08067
203,203,203,Not Available,CCC1=C(C)NC(=O)C(N(C)CCOC)=C1CC1=CC=CC(C)=C1,,Ubiquinone Q1,DB08589
204,204,204,Not Available,OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1,,Cantharidin,DB03346
205,205,205,Not Available,CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C,,Ethyl Isocyanide,DB08838
206,206,206,Not Available,C[C@](O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,,Onapristone,DB08080
207,207,207,"CRx-119 is a novel synergistic combination drug candidate discovered using the CombinatoRx combination High Throughput Screening (cHTS(TM)) technology with potential therapeutic use in a broad range of immuno-inflammatory conditions. CRx-119 is a combination of a low dose of the steroid prednisolone, 3mg, and amoxapine.",,,Tropicamide,DB07906
208,208,208,Darbepoetin alfa is a recombinant form of human erythropoietin used to increase differentiation of progenitor cells to red blood cells in the treatment of anemia.,,MGVHECPAWLWLLLSLLSLPLGLPVLGAPPRLICDSRVLERYLLEAKEAENITTGCNETCSLNENITVPDTKVNFYAWKRMEVGQQAVEVWQGLALLSEAVLRGQALLVNSSQVNETLQLHVDKAVSGLRSLTTLLRALGAQKEAISPPDAASAAPLRTITADTFRKLFRVYSNFLRGKLKLYTGEACRTGDR,3-{(R)-(Dihydroxyboryl)[(2-thienylacetyl)amino]methyl}benzoic acid,DB09401
209,209,209,Glucosamine is a common ingredient in nutritional supplements used for the relief of joint pain.,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,,Prexasertib,DB03568
210,210,210,Zinc acetate is a medication used to treat zinc deficiency.,[Zn++].CC([O-])=O.CC([O-])=O,,"(3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",DB02333
211,211,211,Eltrombopag is a thrombopoietin receptor agonist used to treat thrombocytopenia or aplastic anemia associated with various etiologies.,CC1=NN(C(=O)\C1=N/NC1=CC=CC(C2=CC=CC(=C2)C(O)=O)=C1O)C1=CC=C(C)C(C)=C1,,S-Methyl Thiocysteine Group,DB04092
212,212,212,Guanosine tetraphosphate is a guanine nucleotide containing four phosphate groups. Two phosphate groups are esterified to the sugar moiety in the 5' position and the other two in the 2' or 3' position. This nucleotide serves as a messenger to turn off the synthesis of ribosomal RNA when amino acids are not available for protein synthesis.,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(=O)OP(O)(O)=O)[C@H]2O)C(=O)N1,,N-Acetyl-L-Citrulline,DB08623
213,213,213,"Bleomycin is a chemotherapy agent used to treat various malignancies, including head and neck malignancy, lymphoma, and testicular tumors, among others.",[H][C@](C)(NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@]([H])(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C)[C@@]([H])(C)O,,Tofacitinib,DB07868
214,214,214,Not Available,[H][C@]1(CC(=O)OC)CC(=NO1)C1=CC=C(O)C=C1,,N-Pyridoxyl-Threonine-5-Monophosphate,DB01673
215,215,215,Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem],NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,,5-Nitroindazole,DB08724
216,216,216,Alfimeprase is a recombinant analog of fibrolase. Fibrolase is a zinc-containing metalloproteinase isolated from the venom of the southern copperhead snake (Agkistrodon contortrix contortrix). It is a small protein that contains 203 residues (Randolph et al. 1992). Alfimeprase is being developed by Nuvelo.,,SFPQRYVQLVIVADHRMNTKYNGDSDKIRQWVHQIVNTINEIYRPLNIQFTLVGLEIWSNQDLITVTSVSHDTLASFGNWRETDLLRRQRHDNAQLLTAIDFDGDTVGLAYVGGMCQLKHSTGVIQDHSAINLLVALTMAHELGHNLGMNHDGNQCHCGANSCVMAAMLSDQPSKLFSDCSKKDYQTFLTVNNPQCILNKP,2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide,DB08307
217,217,217,Pazopanib is an antineoplastic agent used in the treatment of advanced renal cell cancer and advanced soft tissue sarcoma in patients with prior chemotherapy.,CN(C1=CC2=NN(C)C(C)=C2C=C1)C1=CC=NC(NC2=CC=C(C)C(=C2)S(N)(=O)=O)=N1,,Potassium nitrate,DB02438
218,218,218,"Labetalol is an alpha and beta adrenergic antagonist used to treat hypertension, angina, and sympathetic overactivity syndrome.",CC(CCC1=CC=CC=C1)NCC(O)C1=CC(C(N)=O)=C(O)C=C1,,[N-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid,DB04841
219,219,219,Not Available,OCCOCN1C(=O)NC(=O)C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)=C1O,,Silicon dioxide,DB05890
220,220,220,Not Available,CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CSCCN1S(=O)(=O)C1=CC=C(C)C=C1,,Tapentadol,DB08771
221,221,221,Not Available,CC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O,,"(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-18-En-1-Aminium-4-Oxide",DB09564
222,222,222,Not Available,OC1=CC=CC=C1Br,,6-o-Capryloylsucrose,DB03581
223,223,223,"Losartan is an angiotensin receptor blocker used to treat hypertension and diabetic nephropathy, and is used to reduce the risk of stroke.",CCCCC1=NC(Cl)=C(CO)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,,Tert-Butyloxycarbonyl Group,DB04649
224,224,224,"Tavaborole is an antifungal agent used to treat onychomycosis, a fungal infection of the nail.",OB1OCC2=CC(F)=CC=C12,,Azelnidipine,DB01605
225,225,225,Etrasimod is an S1P receptors modulator used to treat moderate to severely active ulcerative colitis in adults,OC(=O)C[C@H]1CCC2=C1NC1=C2C=C(OCC2=CC(=C(C=C2)C2CCCC2)C(F)(F)F)C=C1,,"2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol",DB05550
226,226,226,"Bosutinib is an antineoplastic agent used for the treatment of chronic, accelerated, or blast phase Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML) in adults with inadequate clinical response to other treatments.",COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl,,PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE,DB03673
227,227,227,Not Available,C[C@](O)(CO)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,,Enprofylline,DB02945
228,228,228,Not Available,[H][C@@]1(O)C[C@@]([H])(O)[C@@]([H])(O)O[C@]1([H])C,,Alpha-Adenosine Monophosphate,DB03540
229,229,229,Not Available,NC1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23,,"Thyroid, porcine",DB02264
230,230,230,Enasidenib is an isocitrate dehydrogenase-2 inhibitor used to treat relapsed or refractory acute myeloid leukemia with an isocitrate dehydrogenase-2 mutation.,CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F,,"N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide",DB05225
231,231,231,Raloxifene is a selective estrogen receptor modulator that is used to prevent and treat osteoporosis and reduce the risk of invasive breast cancer in high-risk postmenopausal women.,OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,,N-(3-MERCAPTOPROPANOYL)-D-ALANINE,DB00896
232,232,232,"Secukinumab is an immunomodulating agent and interleukin antagonist used to manage plaque psoriasis, psoriatic arthritis, ankylosing spondylitis, along with other joint inflammatory disorders.",,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Bevasiranib,DB07731
233,233,233,Stearic acid is an ingredient found in topical products as a skin protectant.,CCCCCCCCCCCCCCCCCC(O)=O,,DAS869,DB02628
234,234,234,"The use of the plant species Cannabis sativa and Cannabis indica, popularly known as marijuana, has gained popularity in recent years for the management of a wide variety of medical conditions as a wave of legalization in North America has changed public and medical opinion on its use. Consequently, an expanding body of evidence has begun to emerge that has demonstrated its potential usefulness in the management of conditions such as chronic pain, spasticity, inflammation, epilepsy, and chemotherapy-induced nausea and vomiting among many others2. This area of research is controversial and has been heavily debated, however, due to concerns over risks of addiction, long-term health effects, and Cannabis' association with schizophrenia.",,,2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine,DB07689
235,235,235,Not Available,COCC(COC)N1C=CC2=C1C=CC1=NC(N)=NC(N)=C21,,Netilmicin,DB08475
236,236,236,Not Available,CCOC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C(N)N)C1=CC=C(OC2CCNC2)C=C1,,"TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE",DB01665
237,237,237,Not Available,[Fe+3].[H][C@@]1(CCCN([O-])C(=O)\C=C(/C)CCO)NC(=O)[C@]([H])(CCCN([O-])C(=O)\C=C(/C)CCOC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC(C)=O)NC1=O,,Molybdenum cofactor,DB16629
238,238,238,Not Available,[H][C@]1(NC(C(O)=O)=C(CC[C@H](NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(O)=O)CS1)[C@H](NC(=O)CC1=CC=CC=C1)C(O)=O,,"4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL",DB09147
239,239,239,Not Available,[H][C@](O)(C(=O)NCCC(=O)NCCO)C(C)(C)COC(=O)C(C)(C)C,,N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE,DB02205
240,240,240,Not Available,[H][C@](C)(C(=O)C[P@]([H])(O)=O)[C@@]([H])(O)CC,,p-Chlorobenzoic acid,DB15354
241,241,241,Trazodone is a serotonin uptake inhibitor used to treat major depressive disorder.,ClC1=CC=CC(=C1)N1CCN(CCCN2N=C3C=CC=CN3C2=O)CC1,,Raclopride,DB05072
242,242,242,"A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [PubChem]",OC(=O)CP(O)(O)=O,,Methylphosphinic Acid,DB03644
243,243,243,Not Available,[Cr++].[O-]S([O-])(=O)=O,,Lumiracoxib,DB07878
244,244,244,Not Available,ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=CN2,,"(3r)-4-(P-Toluenesulfonyl)-1,4-Thiazane-3-Carboxylicacid-L-Leucine",DB02007
245,245,245,Not Available,OC1=CC2=C(C=C1)C(=NO2)C1=CC(Br)=C(O)C=C1O,,"N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide",DB13615
246,246,246,Not Available,OC1=CC=C(C=C1)C1=CC2=C(C=CC3=C2C=NC=C3)N=C1,,"2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",DB08309
247,247,247,Macitentan is an endothelin receptor antagonist used to manage pulmonary arterial hypertension to delay disease progression.,CCCNS(=O)(=O)NC1=C(C(OCCOC2=NC=C(Br)C=N2)=NC=N1)C1=CC=C(Br)C=C1,,"N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide",DB00409
248,248,248,Casirivimab is part of an investigational recombinant monoclonal antibody cocktail used to treat mild to moderate COVID-19.,,,Butyrylthiocholine,DB12200
249,249,249,Not Available,CN1CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,,3-[N-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene,DB03507
250,250,250,Not Available,O\N=C1\C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=C1C=C(F)C=C2,,Migalastat,DB12159
251,251,251,Not Available,C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,,4-Aminohydrocinnamic Acid,DB07488
252,252,252,Not Available,[H][C@](CC1=CC=CC=C1)(NC(=O)CCCC(O)=O)[P@](O)(=O)OCC(=O)NCCC1=CC=CC=C1,,Tyrosine,DB08894
253,253,253,Not Available,N[C@@H](CC(=O)OCC(O)=O)C(O)=O,,Ticalopride,DB01873
254,254,254,Not Available,[H]N1C[C@H](I)C(=O)N([H])C1=O,,Betamethasone phosphate,DB02201
255,255,255,Not Available,CC(=O)NN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,,"S,S'-(1,3-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",DB01064
256,256,256,Not Available,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O,,9-deazainosine,DB09194
257,257,257,"A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase.",[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,,"(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol",DB08805
258,258,258,Not Available,NS(=O)(=O)C1=CC=C(C=C1)\N=N\C1=C2C=C(Br)C=CC2=NC1=O,,Elacestrant,DB01655
259,259,259,"Cyclophosphamide is a nitrogen mustard used to treat lymphomas, myelomas, leukemia, mycosis fungoides, neuroblastoma, ovarian adenocarcinoma, retinoblastoma, and breast carcinoma.",ClCCN(CCCl)P1(=O)NCCCO1,,Cyanamide,DB12062
260,260,260,Not Available,N[C@@H](CC(=O)O[Be--](F)(F)F)C(O)=O,,Pizotifen,DB07414
261,261,261,Not Available,[H][C@@]12CC[C@@]([H])(N1)[C@]([H])(C2)C1=CC=C(Cl)N=C1,,4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE,DB06157
262,262,262,Not Available,FC(F)(F)C(=O)CCCCCCC(=O)NC1=CC=CC=C1,,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1R)-1-(hydroxymethyl)propyl]acetamide,DB03522
263,263,263,Sumatriptan is a serotonin receptor agonist used to treat migraines and cluster headaches.,CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1,,Phosphoaminophosphonic Acid-Adenylate Ester,DB15406
264,264,264,Not Available,C[S@](=O)CC[C@H](N)C(O)=O,,Raltegravir,DB01613
265,265,265,"Oxypurinol, an inhibitor of xanthine oxidase, is a metabolite of allopurinol.",O=C1NC2=C(C=NN2)C(=O)N1,,"2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID",DB03401
266,266,266,Not Available,OC(=O)COC1=CC(F)=CC=C1C(=O)NCC1=NC2=C(S1)C(F)=CC(F)=C2F,,Faropenem medoxomil,DB07212
267,267,267,Not Available,CC1=C(C)C(OCCCC(O)=O)=CC=C1NC(=O)NC(=O)C1=CC=C(Cl)C=C1Cl,,"3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol",DB11886
268,268,268,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(F)=C1,,Zolpidem,DB00731
269,269,269,"Hyaluronidase is an enzyme used to improve the absorption and dispersion of parenterally administered fluids, drugs, and contrast agents.",,,2-Deoxy-2-Amino Glucitol-6-Phosphate,DB01803
270,270,270,Not Available,[H][C@]1(COP(O)(S)=S)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)C([H])(O)[C@]1([H])O,,"N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE",DB13014
271,271,271,Not Available,NC(=N)SCCC1=CC(CCSC(N)=N)=CC=C1,,Eplerenone,DB00792
272,272,272,Guvacine is a pyridine alkaloid found in the Areca nut (also known as the Betel nut). It is an experimental drug with no approved indication. Experimental studies are still being investigated to determine all of the physiological effects and mechanisms of action of guvacine. Currently it has been determined that guvacine is a specific GABA reuptake inhibitor with no significant affinity at GABA receptors.,OC(=O)C1=CCCNC1,,Pegdinetanib,DB03197
273,273,273,N-(carboxycarbonyl)-D-phenylalanine is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It targets the protein hypoxia-inducible factor 1-alpha inhibitor.,[H][C@](CC1=CC=CC=C1)(NC(=O)C(O)=O)C(O)=O,,"N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide",DB04356
274,274,274,Cositecan is the novel camptothecin derivative which is also known as Karenitecin. It has been developed for superior oral bioavailability and increased lactone stability. It is used to treat cancer.,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(CC[Si](C)(C)C)C4=CC=CC=C4N=C13)C2=O,,Tyrothricin,DB01833
275,275,275,Not Available,[H][C@]1(CC(=C[C@@]([H])(OP(O)(O)=O)[C@@]1([H])O)C(O)=O)O[C@@](C)(OP(O)(O)=O)C(O)=O,,Amitifadine,DB05053
276,276,276,Arsenic trioxide is a chemotherapeutic agent used in the treatment of refractory or relapsed acute promyelocytic leukemia in patients with prior retinoid and anthracycline chemotherapy.,O=[As]O[As]=O,,Anacaulase,DB03626
277,277,277,Zinc chloride is a medication used to treat zinc deficiencies and associated symptoms and also in total parenteral nutrition.,[Cl-].[Cl-].[Zn++],,"5-(hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-yl)pentanal",DB03062
278,278,278,Cilnidipine is a dihydropyridine calcium channel blocker with action on both N- and L-type calcium channels used to treat hypertension.,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC\C=C\C1=CC=CC=C1,,Doravirine,DB01744
279,279,279,Not Available,[H][C@](O)(CC(O)=O)C(=O)N[C@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,,4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE,DB02947
280,280,280,Not Available,[H][C@]1(C)CC[C@]([H])(CC1)NCC1=CC2=C(C=C1)C1=C(C2)C(=NN1)C1=CC=C(C=C1)C(O)=O,,Camazepam,DB04701
281,281,281,GLPG-0974 is under investigation in clinical trial NCT01721980 (Multiple Ascending Dose Study of GLPG0974 in Healthy Subjects).,C[C@@]1(CCN1C(=O)C1=CSC2=C1C=CC=C2)C(=O)N(CCCC(O)=O)CC1=CC=CC(Cl)=C1,,"2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID",DB04873
282,282,282,Not Available,CCOC1=CC=C(C=N1)C1=CC=C(CN2C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C3=CC(OCC4=CC=C(C)C=N4)=CC=C23)C=C1,,1-Acetyl-4-(4-{4-[(2-Ethoxyphenyl)Thio]-3-Nitrophenyl}Pyridin-2-Yl)Piperazine,DB08574
283,283,283,"Avibactam is a non-β-lactam β-lactamase inhibitor used in combination with ceftazidime for the treatment of complicated intra-abdominal infections, complicated urinary tract infections, and hospital or ventilator-acquired pneumonia.",NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O,,N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide,DB01170
284,284,284,Not Available,[H][C@](N)(CCSC)C(O)(O)C1=CC=CC=N1,,"4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One",DB11477
285,285,285,Not Available,[H][C@@]1(C)CN(CCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)[N+]([O-])=O,,Hexobarbital,DB05932
286,286,286,Not Available,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=CC=C2)=C1)C1=CC=CC(N)=C1,,Trilaciclib,DB08121
287,287,287,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC=C2N)[C@]([H])(O)[C@]1([H])O,,"1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE",DB02834
288,288,288,Not Available,NC1=NC2=C(NC=C2)C(=O)N1,,4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,DB00327
289,289,289,Tegafur is an antineoplastic agent used in combination with other anticancer medications to treat advanced gastric and colorectal cancers.,FC1=CN(C2CCCO2)C(=O)NC1=O,,N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,DB16665
290,290,290,Not Available,[H][C@](N)(CCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O,,Erythrityl tetranitrate,DB01559
291,291,291,Not Available,O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2,,GC-376 free acidCommonly known or available as GC-376,DB06287
292,292,292,Not Available,C[C@@H](NC(N)=O)C(O)=O,,"BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE",DB04099
293,293,293,"3-amino-5-phenylpentane is a solid. This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by a propan-1-amine. 3-amino-5-phenylpentane targets the proteins cathepsin K and cathepsin L2.",[H][C@](N)(CCC1=CC=CC=C1)C=CS(=O)(=O)C1=CC=CC=C1,,Uridine monophosphate,DB07667
294,294,294,Not Available,NS(=O)(=O)C1=CC=C2CCCC2=C1,,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",DB01712
295,295,295,Not Available,[H][C@@]12CC[C@@]3(CCC(C)(C)C(=O)O3)[C@@]1(C)CC[C@]1([H])C3=CC=C(C=C3CC[C@@]21[H])C(N)=O,,Chondroitin sulfate,DB08418
296,296,296,Not Available,[H]N([H])CCCC[C@H](N([H])C(=O)[C@@H](CCCC)CN([H])N([H])C[C@@H](CCCC)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])C1=CC=CC=C1)C(=O)N([H])C1=CC=CC=C1,,Talquetamab,DB00155
297,297,297,Not Available,CC1C(C=C)C2=CC3=C(C)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(C)C(C=C)=C8N7[Fe++]6(N34)N2C1=C8C1=CC=CC=C1)C(C)=C5CCC(O)=O,,Zonisamide,DB00006
298,298,298,Pentamidine is an antifungal agent used to treat Pneumocystis pneumonia in patients infected with HIV.,NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,,Ulimorelin,DB07550
299,299,299,Not Available,O=CCCCC1CCNCC1,,Indigotindisulfonic acid,DB03730
300,300,300,Not Available,[NH3+]CCCCCCCCNC1=C2CCCCC2=[NH+]C2=CC=CC=C12,,Octocrylene,DB02077
301,301,301,Flunisolide is an inhaled corticosteroid used as a prophylactic therapy in the maintenance treatment of asthma.,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,,6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide,DB07901
302,302,302,Not Available,CCC1=CC=C(NS(O)(=O)=O)C=C1,,6-Methylpurine,DB01159
303,303,303,Not Available,N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O,,Norepinephrine,DB06960
304,304,304,Not Available,[H][C@@]1(CC[C@@]([H])(CC1)C(=O)NC1=CC(=CC=N1)C1=CC(NC2=CC=C(F)C=C2)=NC=C1)OC,,S-Selanyl Cysteine,DB04007
305,305,305,Not Available,CCCSCC1=CC(N)=CC2=C1N=C(N)NC2=O,,"(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid",DB01349
306,306,306,"Potassium perchlorate is an inorganic salt with the chemical formula KClO4. It is a strong oxidizer with the lowest solubility of the alkali metal perchlorates. Potassium is most commonly used in flares and automobile airbags 1. The use of potassium perchlorate as a component in sealing gaskets for food containers has been revoked by the FDA following the use being abandoned by the industry 7. Potassium perchlorate acts as a competitive inhibitor of iodine uptake by the thyroid gland and attenuates the production of the thyroid hormone. Thus the use of potassium perchlorate has been extensive for hyperthyroidism during the last 50 years, particularly in the late 1950s and early 1960s 1. The therapeutic use of potassium perchlorate in thyroid disorders has been ceased due to a high risk for developing aplastic anemia and nephrotic syndrome 6.",[K+].[O-][Cl](=O)(=O)=O,,5'-S-ethyl-5'-thioadenosine,DB07730
307,307,307,Meperidine is an opioid agonist with analgesic and sedative properties used to manage severe pain.,CCOC(=O)C1(CCN(C)CC1)C1=CC=CC=C1,,"4-(1h-Imidazol-4-Yl)-3-(5-Ethyl-2,4-Dihydroxy-Phenyl)-1h-Pyrazole",DB07017
308,308,308,Not Available,CSCC[C@H](N)P(O)=O,,"7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline",DB06226
309,309,309,Not Available,FC1=C(CC2=NNC3=NN=CC=C23)C=CC(Br)=C1OC1=CC(=CC(Cl)=C1)C#N,,Vemurafenib,DB08730
310,310,310,Not Available,O=N(=O)C1=CC=CC2=CNN=C12,,N-{3-[4-(3-amino-propyl)-piperazin-1-yl]-propyl}-3-nitro-5-(galactopyranosyl)-beta-benzamide,DB13165
311,311,311,Not Available,[H][C@](OCC[As+](C)(C)C)(C1=CC=CC=C1[N+](O)=O)C(F)(F)F,,Tiotropium,DB01910
312,312,312,Not Available,[H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,,Fisetin,DB05165
313,313,313,Not Available,[NH3+]C1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,,CZEN 002,DB08763
314,314,314,Not Available,[H][C@@]1(CCCCN1)C(F)(F)CNC1=NC=CC2=C1N=C(CC1=CC=CC=C1N1C=NC=N1)O2,,4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID,DB01046
315,315,315,"Regorafenib is a kinase inhibitor used to treat patients with metastatic colorectal cancer, unresectable, locally advanced, or metastatic gastrointestinal stromal tumors, and hepatocellular carcinoma.",CNC(=O)C1=CC(OC2=CC(F)=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)=CC=N1,,beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranose,DB02280
316,316,316,Not Available,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)C(=O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,,2-Propyl-Aniline,DB01839
317,317,317,Not Available,OCCOC1=C(C=CC=C1)C1=C(F)C(F)=C(F)C=C1,,Denufosol,DB03254
318,318,318,"TMC-310911 (also known as ASC-09) is a novel investigational protease inhibitor (PI) that is structurally similar to the currently available darunavir.4 It is being investigated for use in HIV-1 infections. TMC-310911 has shown marked activity against a variety of HIV-1 strains, including multi-PI-resistant strains, and may be less likely to generate resistance, making it a potentially desirable therapy for both treatment-naive and PI-experienced patients.4,3",[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C2N=C(NC3CCN(CC3)C3CCCC3)SC2=C1,,"2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID",DB12455
319,319,319,Not Available,CON[C@H]1C[C@@H](N(C1)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,,"(5-Hydroxy-6-methyl-4-{[(E)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate",DB04899
320,320,320,Not Available,[H][C@](NC(=O)CN1C(=O)C(NS(C)(=O)=O)=CN=C1C1=CC=C(N)C=C1)(C(C)C)C(=O)C(F)(F)F,,"Maltosyl-Alpha (1,4)-D-Gluconhydroximo-1,5-Lactam",DB08355
321,321,321,SPI-1620 is an endothelin B receptor agonist. In animal models SPI-1620 selectively and transiently increases tumor blood flow allowing increased delivery of anticancer agents to the tumor. It is being developed as an adjunct to chemotherapy.,,,"Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester",DB04302
322,322,322,Not Available,OC[C@@H](O)COP(O)(O)=O,,Ethyl Oxo(Piperidin-1-Yl)Acetate,DB04328
323,323,323,Not Available,OC1=CC=C(CN2C3=C(CCN(C3)C(=O)C3=CC=C(O)C=C3)C3=CC=CC=C23)C=C1,,3-(1-Aminoethyl)Nonanedioic Acid,DB02649
324,324,324,Not Available,C[N+]1=C(N)C=CNC1=O,,5beta-dihydrotestosterone,DB02744
325,325,325,Idronoxil is a substance that is being studied in the treatment of cancer. It belongs to the family of drugs called signal transduction inhibitors.,OC1=CC=C(C=C1)C1=CC2=C(OC1)C=C(O)C=C2,,CLX-0921,DB02251
326,326,326,Not Available,OC(=O)CCC(=O)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Br)=CC=C2NC1=O,,Lenacapavir,DB11604
327,327,327,"Phenylpropanolamine is a sympathomimetic that was previously used in nasal decongestants and weight loss products, but has been withdrawn by the FDA due to safety risks and lack of efficacy.",CC(N)C(O)C1=CC=CC=C1,,Sertraline,DB15673
328,328,328,Not Available,C[N+](C)(C)CC=O,,"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE",DB06894
329,329,329,Deutetrabenazine is a vesicular monoamine transporter 2 inhibitor used for the symptomatic treatment of tardive dyskinesia and chorea associated with Huntington's disease.,[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2,,4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE,DB00395
330,330,330,Not Available,NS(=O)(=O)C1=CC=C(NC2=CN3C=C(C=CC3=N2)C(=O)C2=C(Cl)C=CC=C2Cl)C=C1,,"2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide",DB02229
331,331,331,"Capecitabine is a nucleoside metabolic inhibitor indicated to treat different gastrointestinal, including pancreatic cancer, and breast cancer.",CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O,,Indirubin-3'-monoxime,DB04953
332,332,332,Not Available,COC1=CC=CC(=C1)C(=O)C1=CNC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1,,"N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE",DB07839
333,333,333,Tagetitoxin is a bacterial phytotoxin. It preferentially inhibits eukaryotic RNA polymerase.,[H]N([H])[C@H]1[C@@H](OC(C)=O)[C@@]2([H])O[C@](CS[C@@]2(O)C(=O)N([H])[H])([C@@H]1OP(O)(O)=O)C(O)=O,,Toloxatone,DB08551
334,334,334,Phenacetin was withdrawn from the Canadian market in June 1973 due to concerns regarding nephropathy (damage to or disease of the kidney).,CCOC1=CC=C(NC(C)=O)C=C1,,Glyburide,DB00382
335,335,335,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,,ABX-PTH,DB01180
336,336,336,"Aspirin is a salicylate used to treat pain, fever, inflammation, migraines, and reducing the risk of major adverse cardiovascular events.",CC(=O)OC1=CC=CC=C1C(O)=O,,"Thymidine-3',5'-Diphosphate",DB04609
337,337,337,"Armodafinil is a stimulant used to improve wakefulness in adult patients with excessive sleepiness associated with obstructive sleep apnea, narcolepsy, or shift work disorder.",NC(=O)C[S@@](=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,Droxicam,DB08871
338,338,338,"Leuprolide is a peptide-based GnRH receptor superagonist used for the palliative treatment of prostate cancer, uterine leiomyomata, endometriosis, and central precocious puberty.",,PHWSYLLR,Bepotastine,DB06838
339,339,339,Sibrotuzumab is a humanized monoclonal antibody directed against fibroblast activation protein (FAP). It is used to treat cancer.,,,Hyaluronidase (ovine),DB05265
340,340,340,Testolactone is a medication used to treat advanced breast cancer.,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H],,Octylphenoxy polyethoxyethanol,DB04140
341,341,341,"Ganstigmine is an orally active, geneserine derived, carbamate-based acetylcholinesterase inhibitor developed for the treatment of Alzheimer's disease.",CCC1=C(NC(=O)OC2=CC3=C(C=C2)N(C)[C@H]2ON(C)CC[C@@]32C)C=CC=C1,,RI 624,DB02613
342,342,342,Cefotaxime is a third generation cephalosporin used to treat susceptible Gram negative and Gram positive bacterial infections.,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,Zofenoprilat,DB01045
343,343,343,Not Available,[H][C@](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)N1CCC[C@@]1([H])C(=O)NNCCCCN,,Trabedersen,DB03084
344,344,344,Not Available,OC[C@H]1O[C@H](C[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,,Cerliponase alfa,DB02606
345,345,345,Not Available,[H][C@@]1(C[P@@]([H])([O-])=O)CCC2=CC(C)=CC=C2O1,,Alisertib,DB15498
346,346,346,Lotilaner is an antiparasitic agent used to treat Demodex blepharitis.,CC1=C(SC(=C1)C1=NO[C@@](C1)(C1=CC(Cl)=C(Cl)C(Cl)=C1)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F,,iCo-007,DB00577
347,347,347,Not Available,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,,alpha-Methylleucine,DB04429
348,348,348,"Zimelidine has been banned worldwide due to serious, sometimes fatal, cases of central and/or peripheral neuropathy known as Guillain-Barré syndrome and due to a peculiar hypersensitivity reaction involving many organs including skin exanthema, flu-like symptoms, arthralgias, and sometimes eosinophilia. Additionally, zimelidine was charged to cause an increase in suicidal ideation and/or attempts among depressive patients.",CN(C)C\C=C(\C1=CC=C(Br)C=C1)C1=CC=CN=C1,,AL5300,DB01264
349,349,349,Not Available,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=CC(=C3)C(N)=[NH2+])=C1[O-],,Nitromethyldethia coenzyme A,DB00794
350,350,350,Not Available,[H][C@](CCP([O-])(=O)OCC[N+](C)(C)C)(COC(=O)CCCCC)OC(=O)CCCCC,,"Inositol-(1,3,4,5,6)-Pentakisphosphate",DB04931
351,351,351,Not Available,CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=C2C=C(Cl)C=N3)=C1F,,"N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide",DB00069
352,352,352,Not Available,CCOC(=O)CCC1=CC=C(C=C1)S(N)(=O)=O,,Mardepodect,DB03327
353,353,353,ZEN-012 is a novel small molecule and the first anti-cancer drug in development involving two mechanisms of action: tubulin and topoisomerase II inhibition. ZEN-012 also expresses additional modes of action such as pro-apoptotic and anti-angiogenic properties. It is developed for the treatment of solid tumors.,,,Daclatasvir,DB03012
354,354,354,Not Available,OC(=O)C1=CC=C(O1)C1=CC(Cl)=CC=C1Cl,,Chlorprothixene,DB01032
355,355,355,Bromfenac is an NSAID used to treat postoperative pain and inflammation of the eye.,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1,,Cephalosporin C,DB07184
356,356,356,Not Available,OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1,,Enfortumab vedotin,DB07546
357,357,357,Equine Botulinum Neurotoxin E Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,3'-1-carboxy-1-phosphonooxy-ethoxy-uridine-diphosphate-N-acetylglucosamine,DB03323
358,358,358,Not Available,CC[N+]#C,,Topiroxostat,DB00372
359,359,359,"Interferon alfa-2b is a form of recombinant human interferon used to treat hepatitis B and C infection, genital warts, hairy cell leukemia, follicular lymphoma, malignant melanoma, and AIDs-related Kaposi's sarcoma.",,CDLPQTHSLGSRRTLMLLAQMRRISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMNEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,"(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol",DB04380
360,360,360,Not Available,[H][C@@](COCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(=O)N1CCOCC1)C#N,,Epibatidine,DB03908
361,361,361,Cocaine is an ester local anesthetic used during diagnostic procedures and surgeries in or through the nasal cavities.,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(=O)OC)N2C,,"3,4-Dihydro-2h-Pyrrolium-5-Carboxylate",DB05164
362,362,362,Retapamulin is a topical antibiotic agent used for the treatment of impetigo caused by methicillin-susceptible Staphylococcus aureus or Streptococcus pyogenes.,[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CS[C@H]1C[C@@H]2CC[C@H](C1)N2C,,Vitamin E,DB05155
363,363,363,Not Available,OC(=O)C1=CN(N=C1)C1=CC=CC=C1,,(R)-Fluoxetine,DB08047
364,364,364,Not Available,OC(=O)C1=C(O)C(I)=CC(I)=C1,,Acrylic Acid,DB07366
365,365,365,Not Available,[H][C@](N)(CCSC[C@@]([H])(O)[C@@]([H])(O)C(=O)CO)C(O)=O,,Muraglitazar,DB00380
366,366,366,Not Available,CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC2=CNC=N2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,,"N-[(5S,7R,8S,9S,10R)-8,9,10-Trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide",DB02311
367,367,367,Cenisertib is an aurora kinase inhibitor.,[H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2NC1=C(F)C=NC(NC2=CC=C(N3CCN(C)CC3)C(C)=C2)=N1)C(N)=O,,"3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine",DB13501
368,368,368,Not Available,[H][C@@]1(CCCN(CCC2=CC=CC=C2)C1)N(CCCOC)C(=O)C1=CC=C(Cl)C=C1,,N1-CYCLOPENTYL-N2-(THIAZOL-2-YL)OXALAMIDE,DB04217
369,369,369,Not Available,[H][C@](CS)(CCC1=CC=CC=C1)C(=O)N=C(C(O)=O)C1=CC=C(CN2C=NN=N2)S1,,SF1126,DB03895
370,370,370,Not Available,CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,,"6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB04330
371,371,371,Not Available,CC1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC1=O,,Bb-3497,DB06335
372,372,372,Not Available,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,,"2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide",DB04444
373,373,373,Not Available,[H][C@](O)(CC1=CNC2=C1C=CC=C2)C(O)=O,,Rhamnose,DB02366
374,374,374,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1,,4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE,DB01594
375,375,375,Not Available,CNC(=O)[C@H](CC1=C(F)C(F)=C(F)C(F)=C1F)NC(=O)NC1=NN=C(S)S1,,Arundic acid,DB11791
376,376,376,"Odesivimab is part of a product containing three monoclonal IgG1κ antibodies directed against the GP1,2 glycoprotein of Zaire ebolavirus. Together, these three antibodies act to neutralize viral particles and to recruit immune effectors for the destruction of both viral particles and infected cells.",,,4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol,DB03927
377,377,377,Not Available,[H][C@]1(C=C(CN1C(=O)N(C)C)C1=CC(F)=CC=C1F)C1=CC=CC=C1,,alpha-D-glucose 6-phosphate,DB00996
378,378,378,"Diflunisal is an NSAID used to treat mild to moderate pain, inflammation, osteoarthritis, and rheumatoid arthritis.",OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1,,Declopramide,DB07078
379,379,379,Not Available,[H][C@@](C)(O)[C@@]1([H])O[C@@]([H])(N2C=NC3=C(C)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,methyl L-phenylalaninate,DB03845
380,380,380,Not Available,O\C(=C/C(=O)C1=CNC2=CC=C(Cl)C=C12)C1=NN=NN1,,Hydrocortisone cypionate,DB14040
381,381,381,Not Available,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,Mephenytoin,DB03918
382,382,382,"N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. The proteins that N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide targets include cyclin-A2 and cyclin-dependent kinase 2.",O=C(CC1=CC2=C(C=CC=C2)C=C1)NC1=CC(=NN1)C1CC1,,N(G)-Iminoethylornithine,DB13930
383,383,383,Netilmicin is an aminoglycoside used to treat a wide variety of infections in the body.,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE",DB00109
384,384,384,Deserpidine is an alkaloid that has been used to manage hypertension.,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,,"5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DB01897
385,385,385,Not Available,NC1=C2N=CN([C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O)C2=NC=N1,,Turpentine,DB05513
386,386,386,Not Available,OC1=CC=C(C(=O)C2=CC=CC=C2)C(=C1O)[N+]([O-])=O,,"2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide",DB07892
387,387,387,Not Available,[H][C@@](CS)(NC(=O)OCC1=CC=CC=C1)C(=O)NCC(O)=O,,Nonacog beta pegol,DB01003
388,388,388,"Bertilimumab is a fully human anti-eotaxin monoclonal antibody with potential in the treatment of allergic disorders, has moved into pre-clinical development. It is developed by MedImmune for the treatment of Allergic Rhinitis.",,,Pyrantel,DB03092
389,389,389,Not Available,CC1=CC=C(C)C(N)=C1,,SB-409513,DB00185
390,390,390,Not Available,[H][C@](CCNC1=CC=[NH+]C=C1)(NC(=O)CNS(=O)(=O)C1CCCCC1)C(=O)N1CCCCC1,,"3,6,9,12,15-PENTAOXATRICOSAN-1-OL",DB03637
391,391,391,Andarine is a non-steroidal selective androgen receptor modulator.,CC(=O)NC1=CC=C(OC[C@](C)(O)C(=O)NC2=CC=C(C(=C2)C(F)(F)F)[N+]([O-])=O)C=C1,,Acetyl Dithranol,DB00498
392,392,392,Futibatinib is a kinase inhibitor used to treat intrahepatic cholangiocarcinoma in previously treated adults.,COC1=CC(=CC(OC)=C1)C#CC1=NN([C@H]2CCN(C2)C(=O)C=C)C2=C1C(N)=NC=N2,,BIOTINOL-5-AMP,DB03621
393,393,393,"Amuvatinib has been used in trials studying the treatment of Solid Tumors and Small Cell Lung Carcinoma. Amuvatinib is an oral, selective multi-targeted tyrosine kinase inhibitor that suppresses c-MET, c-RET and the mutant forms of c-KIT, PDGFR and FLT3. Amuvatinib also suppresses Rad51 protein, a critical component of double-stranded DNA repair in cancer cells.",S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1,,Lansoprazole,DB05793
394,394,394,Not Available,OB(O)C1=CC=CC(NC(=O)CI)=C1,,Arbaclofen Placarbil,DB00063
395,395,395,"Methotrimeprazine is a phenothiazine used in the management of psychosis, particular those of schizophrenia, and manic phases of bipolar disorder.",COC1=CC2=C(SC3=C(C=CC=C3)N2C[C@H](C)CN(C)C)C=C1,,2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine,DB00809
396,396,396,Not Available,CC1=NC(=N)C(=C)C=N1,,"Hg9a-9, Nonanoyl-N-Hydroxyethylglucamide",DB03023
397,397,397,Cevimeline is a muscarinic agonist with parasympathomimetic activities that is used for the symptomatic treatment of dry mouth in patients with Sjögren's Syndrome.,CC1O[C@@]2(CS1)CN1CCC2CC1,,Flavin-adenine dinucleotide-N5-isobutyl ketone,DB07916
398,398,398,Not Available,,,3'-Deoxy 3'-Amino Adenosine-5'-Diphosphate,DB02685
399,399,399,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(C)=CC=C1,,Ertapenem,DB08018
400,400,400,"Amitriptyline is a tricyclic antidepressant indicated in the treatment of depressive illness, either endogenous or psychotic, and to relieve depression associated anxiety.",CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,,"6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE",DB02226
401,401,401,Candesartan is an angiotensin-receptor blocker indicated in the treatment of hypertension.,CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(O)=O,,PEG-uricase,DB02166
402,402,402,Homocysteine is a thiol-containing amino acid formed by a demethylation of methionine.,N[C@@H](CCS)C(O)=O,,"(7as,12ar,12bs)-1,2,3,4,7a,12,12a,12b-Octahydroindolo[2,3-a]Quinolizin-7(6h)-One",DB00111
403,403,403,Not Available,CCCOC1=CC=C(CC(O)=O)C=C1Cl,,5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID,DB14864
404,404,404,Not Available,CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1,,Bosentan,DB09232
405,405,405,Not Available,[H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(\C)=C5/N[C@]1(C)[C@@](C)(CC(O)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)C(C)(C)[C@@H]3CCC(O)=O)[C@](C)(CCC(O)=O)[C@H]2CC(O)=O,,3'-phospho-5'-adenylyl sulfate,DB02655
406,406,406,Not Available,NC1=NC2=C(N1)C=C(O)C=C2,,Hexanoyl-CoA,DB08732
407,407,407,Not Available,OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCOP(O)(O)=O)C2=C1NC(=O)NC2=O,,Taribavirin,DB05471
408,408,408,Procainamide is a medication used to treat life threatening ventricular arrhythmias.,CCN(CC)CCNC(=O)C1=CC=C(N)C=C1,,Cimicoxib,DB07369
409,409,409,Regdanvimab is a monoclonal antibody targeted against the SARS-CoV-2 spike protein used to treat patients with COVID-19 who are at risk of progressing to severe COVID-19.,,ELVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSSLSAGVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS,4-(Hydrogen sulfate)-beta-D-galactopyranose,DB07215
410,410,410,"Vincristine is a vinca alkaloid used to treat acute leukemia, malignant lymphoma, Hodgkin's disease, acute erythraemia, and acute panmyelosis.",[H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@H]5C[N@](C[C@](O)(CC)C5)CCC5=C4NC4=CC=CC=C54)C(=O)OC)N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC,,Picrotoxin,DB08389
411,411,411,Not Available,CCS\C(N)=N\C1=CC=C(C=C1)C(F)(F)F,,Mirococept,DB00038
412,412,412,Tretazicar is under investigation in clinical trial NCT00746590 (Study of Anti-tumour Effects and Safety of Prolarix™ in Hepatocellular Carcinoma).,NC(=O)C1=CC(N2CC2)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,,Duvoglustat,DB02101
413,413,413,Velusetrag has been used in trials studying the treatment of Gastroparesis and Alzheimer's Disease. It is a highly selective serotonin receptor agonist effective in patients with chronic constipation. It is being developed by Theravance. Velusetrag was discovered by Theravance through the application of its multivalent drug design in a research program dedicated to finding new treatments for GI motility disorders.,CC(C)N1C(=O)C(=CC2=CC=CC=C12)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)CN(C)S(C)(=O)=O,,1-hydroxy-2-isopropylguanidine,DB02027
414,414,414,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,"6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DB01089
415,415,415,Not Available,[H][C@@]1(CO)O[C@@]([H])(OC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]1([H])O,,Iodine,DB04276
416,416,416,Not Available,[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](CO)O1,,Zalutumumab,DB08627
417,417,417,Vonoprazan is a potassium-competitive acid blocker used in the treatment of acid-related disorders and as an adjunct to Helicobacter pylori eradication.,CNCC1=CN(C(=C1)C1=CC=CC=C1F)S(=O)(=O)C1=CC=CN=C1,,"10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine",DB02778
418,418,418,"MK-0354, is an orally administered drug candidate under development by Merck for the treatment of atherosclerosis and related disorders. It targets G protein-coupled receptor, or GPCR, that have the potential to regulate plasma lipid profiles, including HDL, or the good cholesterol, similar to the therapeutic action of niacin.",C1CC2=C(C1)C(=NN2)C1=NNN=N1,,Benralizumab,DB06623
419,419,419,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4C[C@@H](O[C@@H]4COP(O)(O)=O)N4C=CC(=O)N([H])C4=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Fibrinolysin,DB08051
420,420,420,Not Available,[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=CC=C(C#N)C2=CC=CC=C12,,ATP,DB04121
421,421,421,Floxuridine is an antimetabolite used as palliative management for liver metastases of gastrointestinal malignancy.,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O,,Pimasertib,DB02924
422,422,422,Not Available,O=C(NCCCC1=CC=CC=C1)NC1CCCCC1,,2-acetylamino-2-deoxy-b-D-allopyranose,DB04637
423,423,423,Not Available,[H][C@@](CCCCN)(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)CCl,,Flortaucipir F-18,DB00283
424,424,424,"Diamorphine is an opioid analgesic agent used in the relief of severe pain associated with surgical procedures, myocardial infarction or pain in the terminally ill and for the relief of dyspnea in acute pulmonary edema.",[H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5,,"1,2-Dichloro-Propane",DB09230
425,425,425,Not Available,[H][C@](N)(CC1=C(ON=C1[O-])C(C)(C)C)C(O)=O,,Cacodylic acid,DB02368
426,426,426,Not Available,CC1=CC=CC=C1C1=CC2=C(N1)C=C(C=C2)C(N)=N,,Sacubitril,DB06333
427,427,427,"GPI 1485 is a product candidate that belongs to a class of small molecule compounds called neuroimmunophilin ligands.
In preclinical experiments, neuroimmunophilin ligands have been shown to repair and regenerate damaged nerves without affecting normal, healthy nerves.
GPI 1485 is being studied in phase 2 clinical trials for the treatment of Parkinson's disease and post-prostatectomy erectile dysfunction and in pre-clinical development for HIV related dementia and neuropathy.",CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(O)=O,,Calcium chloride,DB00886
428,428,428,Not Available,BrC1=CC=CC(=C1)C1=NC2=[N+](NC=C2)C(NCC2=CC=NC=C2)=C1,,Hexadecanal,DB15164
429,429,429,Ubidecarenone is a cofactor found in various dietary supplements.,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,,Xanthine,DB04271
430,430,430,Not Available,CC1=C(CCOP(O)(O)=O)SC=N1,,Sulfacetamide,DB07734
431,431,431,"Guaifenesin is an expectorant commonly found in OTC products for the symptomatic relief from congested chests and coughs associated with cold, bronchitis, and/or other breathing illnesses.",COC1=CC=CC=C1OCC(O)CO,,N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE,DB02643
432,432,432,Not Available,[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1,,5-monophosphate-9-beta-D-ribofuranosyl xanthine,DB08340
433,433,433,Not Available,OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1,,{4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone,DB01280
434,434,434,Omacetaxine mepesuccinate is a cephalotaxine used in the treatment of Chronic Myeloid Leukemia (CML) that is intolerant to or resistant to two or more tyrosine kinase inhibitors.,[H][C@@]1(OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]13[H],,Avatrombopag,DB02139
435,435,435,"Icosapent is a polyunsaturated fatty acid, usually found in fish oils, that is used in many supplements.",CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,,Clonidine,DB02371
436,436,436,Not Available,N[C@@H](CSS)C(O)=O,,Morpholine-4-Carboxylic Acid [1s-(2-Benzyloxy-1r-Cyano-Ethylcarbamoyl)-3-Methyl-Butyl]Amide,DB05129
437,437,437,"Includes ortho-, meta-, and para-nitrophenylgalactosides. [PubChem]",[H][C@]1(CO)O[C@@]([H])(OC2=CC=CC=C2N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,Heptulose-2-Phosphate,DB01661
438,438,438,Ritonavir is an HIV protease inhibitor used in combination with other antivirals in the treatment of HIV infection.,CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)CC1=CC=CC=C1,,Rotigotine,DB07786
439,439,439,Not Available,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=C(OC)C=C2,,N-Carbamyl-D-Methionine,DB00171
440,440,440,Not Available,CC1=NC2=CC=C(NC(=O)NC3=CC4=C(C=C3)N=C(C)C=C4N)C=C2C(N)=C1,,2-Aminoethanimidic Acid,DB12457
441,441,441,Not Available,[H][C@]1(CSCCNCCCCCCCCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Ponatinib,DB01425
442,442,442,Not Available,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])N=C(N)N2,,"1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DB00133
443,443,443,Phenacemide is used to control certain seizures in the treatment of epilepsy. This medicine acts on the central nervous system (CNS) to reduce the number and severity of seizures.,NC(=O)NC(=O)CC1=CC=CC=C1,,Lumichrome,DB02058
444,444,444,Isoniazid is an antibiotic used to treat mycobacterial infections; most commonly use in combination with other antimycobacterial agents for the treatment of active or latent tuberculosis.,NNC(=O)C1=CC=NC=C1,,"1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM",DB07111
445,445,445,Benzphetamine is a sympathomimetic used to manage exogenous obesity short term.,C[C@@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1,,Terbutaline,DB08265
446,446,446,Not Available,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCCS,,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexanethioate",DB08376
447,447,447,Denibulin is a novel small molecule Vascular Disrupting Agent under development by MediciNova for treatment of solid tumor cancers.,COC(=O)NC1=NC2=C(N1)C=CC(SC1=CC=C(NC(=O)[C@H](C)N)C=C1)=C2,,"N,4-Dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide",DB02464
448,448,448,Mirtazapine is a tetracyclic antidepressant used in the treatment of major depression and is used off-label as a drug for insomnia and to increase appetite.,CN1CCN2C(C1)C1=CC=CC=C1CC1=C2N=CC=C1,,Flecainide,DB03569
449,449,449,"Rabeprazole is a proton pump inhibitor used to help gastrointestinal ulcers heal, to treat symptoms of gastroesophageal reflux disease (GERD), to eradicate Helicobacter pylori, and to treat hypersecretory conditions such as Zollinger-Ellison Syndrome.",COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1,,Tributyrin,DB00314
450,450,450,Not Available,CC1=NC=C(COP(O)(O)=O)C(CNOCC(O)=O)=C1O,,N-2-Thiophen-2-Yl-Acetamide Boronic Acid,DB13123
451,451,451,Hydroflumethiazide is a thiazide diuretic used to treat hypertension as well as edema due to congestive heart failure and liver cirrhosis.,NS(=O)(=O)C1=CC2=C(NCNS2(=O)=O)C=C1C(F)(F)F,,Pyrazolanthrone,DB15044
452,452,452,"Azimilide is an investigational class III anti-arrhythmic drug that blocks fast and slow components of the delayed rectifier cardiac potassium channels. It is not approved for use in any country, but is currently in clinical trials in the United States.",CN1CCN(CCCCN2C(=O)CN(N=CC3=CC=C(O3)C3=CC=C(Cl)C=C3)C2=O)CC1,,Cefmenoxime,DB00052
453,453,453,Not Available,CNC(=O)[C@@H]1CC2=CC=C(NS(O)(=O)=O)C=C2CN1C(=O)OC(C)(C)C,,Trifluridine,DB13044
454,454,454,A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. [PubChem],O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,,Halicin,DB07502
455,455,455,"DG051 is a novel small-molecule inhibitor of leukotriene A4 hydrolase (LTA4H), the protein made by one of the genes in the leukotriene pathway that has been shown to link to risk of heart attack. DG051 is designed to decrease risk of heart attack by decreasing the production of leukotriene B4 (LTB4), an end product of the leukotriene pathway and a potent promoter of inflammation.",,,Rifampin,DB02191
456,456,456,Not Available,[H][C@@](CC1=CC=CC=C1)(CC(O)(O)C[N+]([O-])=O)C(O)=O,,Tafamidis,DB02396
457,457,457,Cefradine is a first-generation cephalosporin antibiotic used in the treatment of bacterial infections of the respiratory and urinary tracts and of the skin and soft tissues.,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,,Flurandrenolide,DB14548
458,458,458,Not Available,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O,,BIA,DB05913
459,459,459,Not Available,[H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,,Dephospho Coenzyme A,DB00984
460,460,460,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F,,Tasosartan,DB11094
461,461,461,Not Available,[H][C@](CC#CCOC)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)C(O)=O,,PX-12,DB12418
462,462,462,Not Available,[H][C@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O,,Vosoritide,DB01123
463,463,463,Not Available,N[C@@H](CS\C(N)=N\CCC[C@H]([NH3+])C(O)=O)C(O)=O,,Cisapride,DB00569
464,464,464,Not Available,CCCC1=CC2=C(NC(CC(N)=O)=C2)C(CC(O)=O)=C1,,Streptokinase,DB01938
465,465,465,Not Available,O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1,,"4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE",DB07613
466,466,466,Carbamazepine is an anticonvulsant used to treat various types of seizures and pain resulting from trigeminal neuralgia.,NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12,,"Cyclic 3',5'-thymidine monophosphate",DB03548
467,467,467,Not Available,N[C@@H](CCONC(N)=N)C(O)=O,,"2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",DB00659
468,468,468,Not Available,[O-][N+](=O)C1=CC=C(C=C1)C1=NNC=C1,,9-(6-deoxy-alpha-L-talofuranosyl)-6-methylpurine,DB08222
469,469,469,"Boldenone is an anabolic steroid developed for veterinary use, mostly for treatment of horses. It is not indicated for use in humans in the US and is only available through veterinary clinics.",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Cysteamine,DB14491
470,470,470,"Eniluracil, which was previously under development by GlaxoSmithKline (GSK), is being developed by Adherex to enhance the therapeutic value and effectiveness of 5-fluorouracil (5-FU), one of the world’s most widely-used oncology agents. 5-FU is widely used in the U.S. and is often first or second line therapy for a variety of cancers including colorectal, breast, gastric, head and neck, ovarian and basal cell cancer of the skin. Eniluracil could improve 5-FU by increasing its effectiveness, reducing its side effects and/or making it orally available. Eniluracil has received Orphan Drug status from the FDA for the treatment of hepatocellular cancer in combination with fluoropyrimidines (including 5-FU).",O=C1NC=C(C#C)C(=O)N1,,Maprotiline,DB08698
471,471,471,Not Available,NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br,,"3-[4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol",DB02976
472,472,472,"Cefprozil is a cephalosporin antibiotic used in the treatment of various bacterial infections, such as pharyngitis, tonsillitis, otitis media, and uncomplicated skin infections.",[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,,Seratrodast,DB00514
473,473,473,Not Available,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CN=C2C=CC=C(NC3=CC=CC=N3)C2=C1,,Hydroxocobalamin,DB03090
474,474,474,Gefapixant is a P2X3 receptor antagonist that reduces the cough reflex in patients with refractory or unexplained chronic cough.,COC1=C(C=C(OC2=CN=C(N)N=C2N)C(=C1)C(C)C)S(N)(=O)=O,,"4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol",DB07718
475,475,475,Not Available,[H][C@](N)(CC(=O)N1CCCCCN1C(=O)C1=CC=CC=C1)CC1=C(F)C=C(F)C(F)=C1,,2-Deoxy-Glucitol-6-Phosphate,DB05235
476,476,476,Not Available,ClC1=CC=C(NC(=O)C2=C(NCC3=CC=NC=C3)C=CC=C2)C=C1,,Ritanserin,DB09183
477,477,477,Testosterone cypionate is an androgen used to treat low or absent testosterone.,[H][C@@]12CC[C@H](OC(=O)CCC3CCCC3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Alpha-Benzyl-Aminobenzyl-Phosphonic Acid,DB06710
478,478,478,"Ramucirumab is an antineoplastic agent and direct VEGFR2 (vascular endothelial growth factor receptor 2) antagonist that blocks the binding of natural VEGF ligands, which are secreted by solid tumors to promote angiogenesis and enhance tumor blood supply.",,EVQLVQSGGGLVKPGGSLRLSCAASGFTFSSYSMNWVRQAPGKGLEWVSSISSSSSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARVTDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Fostemsavir,DB01340
479,479,479,"ACP-104, or N-desmethylclozapine, is the major metabolite of clozapine, and is being developed by ACADIA as a novel, stand-alone therapy for schizophrenia. It combines an atypical antipsychotic efficacy profile with the added potential benefit of enhanced cognition, thereby addressing one of the major challenges in treating schizophrenia today.",ClC1=CC=C2NC3=C(C=CC=C3)C(=NC2=C1)N1CCNCC1,,Imidacloprid,DB03242
480,480,480,alpha-D-glucose-1-phosphate is a type of glucose used for total parenteral nutrition and phosphate replacement therapy.,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,,5-fluorotryptophan,DB12598
481,481,481,Not Available,[H]\C(CP(O)(O)=O)=C(\[H])/C(=N\CC1=C(COP(O)(O)=O)C=NC(C)=C1O)/C(O)=O,,Heparin Disaccharide Iii-S,DB03069
482,482,482,"Candoxatril is the orally-active prodrug of candoxatrilat (UK-73967), a potent neutral endopeptidase (NEP) inhibitor.",COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1,,Tropifexor,DB04031
483,483,483,Becocalcidiol is a vitamin D(3) analogue which has not caused hypercalcaemia or significant irritation in preclinical trials.,CC[C@@](C)([H])[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@](O)([H])C(=C)[C@]([H])(O)C1,,Alovudine,DB09245
484,484,484,Not Available,C[C@](O)(COC1=C(F)C(F)=C(F)C(F)=C1F)C(=O)NC1=CC=C(C(=C1)C(F)(F)F)[N+]([O-])=O,,"3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid",DB05276
485,485,485,"(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide is a solid. This compound belongs to the oxepanes. These are compounds containing an oxepane ring, which is an a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. This drug targets the protein beta-glucosidase A.",[H][C@@]12CO[C@@]([H])(N1C(=S)NCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O,,Alitretinoin,DB02261
486,486,486,Not Available,CCCCC(O)=O,,4-Carboxycinnamic Acid,DB03063
487,487,487,Not Available,COC1=CC(O)=C(C=C1CC=C(C)C)C(=O)\C=C\C1=CC=C(O)C=C1,,N-Acetylproline,DB07356
488,488,488,"APD791 is an oral anti-thrombotic drug candidate being evaluated in a Phase 1 clinical trial by Arena. APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin.",,,"5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE",DB01497
489,489,489,Not Available,CCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1,,RTA 744,DB00058
490,490,490,Ledipasvir is a direct-acting antiviral agent used to treat specific hepatitis C virus (HCV) infections in combination with other antiviral agents.,COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C1=NC(=CN1)C1=CC=C2C3=CC=C(C=C3C(F)(F)C2=C1)C1=CC=C2NC(=NC2=C1)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)[C@@H](NC(=O)OC)C(C)C,,4-Hydroxy-Aconitate Ion,DB07290
491,491,491,Not Available,C[C@@](O)(CBr)CCOP(O)(=O)OP(O)(O)=O,,Efanesoctocog alfa,DB05868
492,492,492,Ofatumumab is an anti-CD20 antibody used for the treatment of chronic lymphocytic leukemia (CLL) in selected patients with certain treatment histories and responsiveness to anticancer medications.,,EVQLVESGGGLVQPGRSLRLSCAASGFTFNDYAMHWVRQAPGKGLEWVSTISWNSGSIGYADSVKGRFTISRDNAKKSLYLQMNSLRAEDTALYYCAKDIQYGNYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPGSSKSTSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP,2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE,DB02112
493,493,493,Rosiglitazone is a thiazolidinedione indicated as an adjunct to diet and exercise to maintain glycemic control in type 2 diabetes.,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1,,Ferric maltol,DB03535
494,494,494,"Tromethamine is a proton acceptor used for the prevention and correction of metabolic acidosis associated with various clinical conditions, such as cardiac bypass surgery.",NC(CO)(CO)CO,,Propanoyl-CoA,DB07863
495,495,495,Not Available,CNCC1=CC=C(O1)C1=CC=CN=C1,,Beraprost,DB00418
496,496,496,Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of HIV-1 infections in combination with other antiretroviral agents.,CC1=CC(=CC(C)=C1OC1=C(Br)C(N)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N,,SNS-032,DB02749
497,497,497,Insulin aspart is a rapid-acting form of insulin used for glycemic control in type 1 and type 2 diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,"4-{[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino}butanoic acid",DB02471
498,498,498,alpha-Ketoisocaproic acid is an amino acid used to manage chronic renal failure and for nutritional therapy in acute renal dysfunction.,CC(C)CC(=O)C(O)=O,,Zinc trihydroxide,DB01365
499,499,499,N-Carbamoylaspartic acid is an amino acid commonly found as a component in total parenteral nutrition.,NC(=O)N[C@@H](CC(O)=O)C(O)=O,,Carglumic acid,DB00469
500,500,500,SGS-742 has been used in trials studying the treatment of Seizures and Metabolic Disease.,CCCCP(O)(=O)CCCN,,N-(5'-phosphopyridoxyl)-L-alanine,DB14544
501,501,501,Not Available,[H][C@](CC(O)=O)(CC1=CC=CC=C1)C(O)=O,,Ezetimibe,DB12893
502,502,502,Not Available,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=CC=C2)C=C1)C(O)=O,,Prednisolone acetate,DB01713
503,503,503,"Nomifensine, formerly marketed as Merital capsules, was associated with an increased incidence of hemolytic anemia. The approved application holder removed Merital capsules from the market on January 23, 1986. FDA published a notice of its determination that Merital capsules were removed from the market for safety reasons (see the Federal Register of June 17, 1986 (51 FR 21981)). Approval of the NDA for Merital capsules was withdrawn on March 20, 1992 (see the Federal Register of March 20, 1992 (57 FR 9729)). Also withdrawn from the Canadian and UK markets.",CN1CC(C2=CC=CC=C2)C2=C(C1)C(N)=CC=C2,,Benzocaine,DB08354
504,504,504,Pentosan polysulfate is a sulfated pentosyl polysaccharide used to treat bladder pain and discomfort due to interstitial cystitis.,O[C@@H]1CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]1OS(O)(=O)=O,,Fluciclovine (18F),DB04929
505,505,505,Not Available,COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OC)=C1OC,,Taurocholic acid,DB03834
506,506,506,Not Available,[H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@@]([H])(CO)NC(C)=O,,Echothiophate,DB02414
507,507,507,Not Available,[H][C@@](C)(CCC1=CC=C(C=C1)C(N)=O)NCC(=O)C1=CC=C(F)C=C1,,Cyclohexyl-pentyl-maltoside,DB07384
508,508,508,Not Available,C[Se]CC([O-])=O,,Meprobamate,DB07133
509,509,509,Not Available,OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,,Didecyldimethylammonium,DB00239
510,510,510,Not Available,[H][C@]1(O)O[C@]([H])(COS([O-])(=O)=O)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,,(C8-R)-hydantocidin 5'-phosphate,DB01363
511,511,511,Not Available,OP(O)(=O)OCCNC(=O)C1=CC=C(OC(F)(F)F)C=C1,,Trodusquemine,DB08202
512,512,512,Not Available,[H][C@@]12NC(=O)N[C@]1([H])NC(=O)N2,,GE-2270A,DB02404
513,513,513,Lisocabtagene maraleucel is a CAR T-cell therapy for treatment resistant or more severe B-cell lymphomas.,,,(R)-Atenolol,DB08030
514,514,514,"Beraprost is a synthetic analogue of prostacyclin, under clinical trials for the treatment of pulmonary hypertension. It is also being studied for use in avoiding reperfusion injury.",[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C1=C(O2)C(CCCC(O)=O)=CC=C1,,Homocysteine,DB06246
515,515,515,Not Available,COC1=CC=CC(=C1)C1=CC=C(NC(=O)C2=C(SC=C2)C(O)=O)C(F)=C1,,Glutamine t-butyl ester,DB00746
516,516,516,Not Available,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1,,Prednicarbate,DB07362
517,517,517,Raclopride has been used in trials studying Parkinson Disease.,CCN1CCC[C@H]1CNC(=O)C1=C(O)C(Cl)=CC(Cl)=C1OC,,Probenecid,DB04022
518,518,518,Not Available,[H][C@@]1(O)CSSC[C@@]1([H])O,,Daxalipram,DB04349
519,519,519,"Potassium nitrate is a medication used to cauterize small wounds, remove granulation tissue, warts, and verrucae, and treat tooth sensitivity.",[K+].[O-][N+]([O-])=O,,Dapsone,DB08880
520,520,520,Not Available,[H][C@]1(C\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\C)=C\C1=CSC(C)=N1,,3-Methoxybenzamide,DB06906
521,521,521,Not Available,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(=O)[C@@H](S)CC1=CC=CC=C1,,INCB13739,DB00580
522,522,522,Not Available,CCCCCCCCCCS,,"2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE",DB01607
523,523,523,Not Available,[H][C@]1(NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2)C(C)C,,Clobetasone,DB08285
524,524,524,"Lauric acid is an inexpensive, non-toxic and safe to handle compound often used in laboratory investigations of melting-point depression. Lauric acid is a solid at room temperature but melts easily in boiling water, so liquid lauric acid can be treated with various solutes and used to determine their molecular masses.",CCCCCCCCCCCC(O)=O,,Lutetium Lu-177 vipivotide tetraxetan,DB03096
525,525,525,"LGD2941 is a non-steroidal, selective androgen receptor modulator (SARM) developed jointly by Ligand and TAP.",C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,,Biperiden,DB08889
526,526,526,"MDX-018, also known as HuMax-Inflam, is a fully human antibody that is directed to IL-8 (interleukin-8) and may have potential application in oncology and inflammation. Trials will initially focus on studies to treat glioblastoma, a cancer of the central nervous system. Other possible indications include chronic obstructive pulmonary disease (COPD) and pustular dermatoses. In pre-clinical studies, HuMax-Inflam has been shown to inhibit tumor growth in tumor models using primary human tumors in immunodeficient mice. HuMax-Inflam was also effective in reducing disease activity in palmoplantar pustulosis patients in a clinical study.",,,3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one,DB06982
527,527,527,Not Available,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,,2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER,DB07531
528,528,528,Not Available,[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)N3C=CN=C3[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Methyl nonanoate,DB00275
529,529,529,Apremilast is a non-steroidal medication used for the treatment of inflammatory conditions such as psoriasis and psoriatic arthritis.,CCOC1=CC(=CC=C1OC)[C@@H](CS(C)(=O)=O)N1C(=O)C2=CC=CC(NC(C)=O)=C2C1=O,,"1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE",DB01541
530,530,530,Not Available,CS(=O)(=O)NC1=CC=C(C=C1)C(O)=O,,2-deoxy-2-fluoro-alpha-D-mannosyl fluoride,DB08621
531,531,531,Ajmaline is an antiarrhythmic used to manage a variety of forms of tachycardias.,[H][C@]12C[C@]34[C@H](O)C1[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)C1=CC=CC=C41,,"N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine",DB04521
532,532,532,Not Available,C(OC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1)C1=CC=C2C=CC=CC2=N1,,"5,8-Di-Amino-1,4-Dihydroxy-Anthraquinone",DB07514
533,533,533,Hesperidin is a bioflavonoid found in a variety of nutritional supplements that is touted to have various beneficial effects on blood vessel disorders and various other conditions.,COC1=CC=C(C=C1O)[C@@H]1CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O,,Dexfenfluramine,DB04008
534,534,534,"MEM 1414 is a PDE4 inhibitor that is being evaluated for the treatment of Alzheimer’s disease. This drug candidate has completed Phase 1 clinical trials. MEM 1414 works by blocking phosphodiesterase, an enzyme that breaks down an important brain chemical, cyclic AMP. It appears to work in the area of the brain where new memories are formed.",,,4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE,DB00949
535,535,535,Ezogabine is an antiepileptic agent used as an adjuvant treatment of partial-onset seizures.,CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1,,Amifostine,DB08406
536,536,536,"INCB7839 is a novel, orally available ADAM metalloprotease inhibitor that is designed to block activation of the epidermal growth factor (EGFR) pathways. It represents a potentially important new class of targeted breast cancer therapy. It has shown promising clinical activity in heavily pretreated, refractory breast cancer patients.",,,Marimastat,DB03337
537,537,537,"Icotinib is a potent and specific epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI)
Icotinib was approved in China by the SFDA in June, 2011 and in January 2014, Beta Pharma, Inc. was given a “May Proceed” from the US FDA to conduct a Phase I study for the evaluation of icotinib as a treatment of EGFR+ Non-Small Cell Lung Cancer (NSCLC).",C#CC1=CC=CC(NC2=NC=NC3=CC4=C(OCCOCCOCCO4)C=C23)=C1,,5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide,DB02262
538,538,538,Not Available,OC(=O)CCC1CCCCC1,,Thalidomide,DB07829
539,539,539,Nelarabine is a purine nucleoside analog and antineoplastic agent used for the treatment of with acute T-cell lymphoblastic leukemia and T-cell lymphoblastic lymphoma with inadequate clinical response to prior chemotherapeutic treatments.,COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,,"2,2':6',2''-Terpyridine Platinum(Ii)",DB07389
540,540,540,Fasudil has been investigated in Carotid Stenosis.,O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2,,"2,5-Dideoxy-2,5-Imino-D-Glucitol",DB05351
541,541,541,Not Available,OCCCO,,"6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one",DB00628
542,542,542,Not Available,OCCN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1F,,CYT007-TNFQb,DB04120
543,543,543,Tivantinib has been investigated in Solid Tumors.,O=C1NC(=O)[C@H]([C@@H]1C1=CNC2=CC=CC=C12)C1=CN2CCCC3=C2C1=CC=C3,,"3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-METHOXY-1,1'-BIPHENYL-2-OLATE",DB04988
544,544,544,Not Available,FC(F)(F)C1=CC=CC(=C1)C1=NN=C2C=CC(NC3CCCCC3)=NN12,,"5-benzyl-1,3-thiazol-2-amine",DB09363
545,545,545,"3-Fluoro-L-tyrosine is a solid. This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid. 3-Fluoro-L-tyrosine targets the protein superoxide dismutase [mn], mitochondrial.",N[C@@H](CC1=CC(F)=C(O)C=C1)C(O)=O,,Anpocogin,DB04464
546,546,546,Not Available,COC1=CN=CC(=C1)C1=CC(CNC2=CC=CN=C2N)=CC=C1,,Sp-722,DB03523
547,547,547,Not Available,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,,5'-O-(N-Ethyl-Sulfamoyl)Adenosine,DB08440
548,548,548,Not Available,OC(=O)C1=C(C=C(OC2=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)C=C2)C=C1)C(O)=O,,Pegpleranib,DB15233
549,549,549,Not Available,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC3=C(C=CC1=C23)[N+]([O-])=O)C1=CC=C(O)C=C1,,L-cysteic acid,DB00008
550,550,550,"Talazoparib is a poly-ADP ribose polymerase inhibitor used to treat HER2-, BRCA mutated locally advanced or metastatic breast cancer and HRR gene-mutated metastatic castration-resistant prostate cancer.",CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1,,"1-((2-HYDROXYETHOXY)METHYL)-5-(PHENYLTHIO)PYRIMIDINE-2,4(1H,3H)-DIONE",DB04991
551,551,551,Not Available,CC1=NC=C(COP(O)(O)=O)C(CN[C@@](C)(CCC(O)=O)C(O)=O)=C1O,,Benzylpenicilloyl polylysine,DB00403
552,552,552,Not Available,CC1=CN([C@@H]2O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,,D-[(N-Hydroxyamino)Carbonyl]Phenylalanine,DB00854
553,553,553,Not Available,C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,,TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-N-OXIDE,DB04888
554,554,554,Udenafil is a PDE5 inhibitor used to treat erectile dysfunction.,CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC1CCCN1C)C1=NC(=O)C2=C(N1)C(CCC)=NN2C,,2-O-Methyl-beta-L-fucopyranose,DB03035
555,555,555,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N([H])C(C)(C)C(=O)N2[H],,3-pyridin-4-yl-1H-indazole,DB00611
556,556,556,Not Available,NC1=CC(CN2[C@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](CC3=CC=CC=C3)N(CC3=CC(N)=CC=C3)C2=O)=CC=C1,,"N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide",DB08329
557,557,557,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=S)N1C=C(C)C(=O)NC1=O,,Pranlukast,DB01202
558,558,558,Not Available,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,,"6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",DB08585
559,559,559,Not Available,CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O,,N-BENZOYL-D-ALANINE,DB08214
560,560,560,Not Available,NS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C3C=CC=CN23)C=C1,,Aflibercept,DB08164
561,561,561,Not Available,CC1=CC(=O)OC2=C1C=CC(N)=C2,,Antazoline,DB03397
562,562,562,Not Available,CCN(CC)CCNC(=O)C1=CC=C(N)C(Cl)=C1,,Dasotraline,DB07267
563,563,563,"ATL1102 is a second-generation antisense inhibitor of CD49d, an immunesystem protein known as VLA-4, an immune cell molecule. It works by entering cells and targeting genes.",,,MLN-977,DB08086
564,564,564,"Pembrolizumab is a PD-1 blocking antibody used to treat various types of cancer, including metastatic melanoma, non small-cell lung cancer, cervical cancer, head and neck cancer, and Hodgkin's lymphoma.",,QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Andexanet alfa,DB07219
565,565,565,Not Available,[H]N([H])[C@@H](CO)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,Cevimeline,DB03698
566,566,566,Not Available,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,,"7-amino-2-tert-butyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide",DB12141
567,567,567,Not Available,[H][C@@]1(O)CC2=C3C=CC4=CC=CC5=CC=C(C=C2[C@@]([H])(O)[C@]1([H])O)C3=C45,,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DB01892
568,568,568,"An amino acid derivative that occurs in vertebrate tissues and in urine. In muscle tissue, creatine generally occurs as phosphocreatine. Creatine is excreted as creatinine in the urine.",CN(CC(O)=O)C(N)=N,,Chlorpromazine,DB02429
569,569,569,Not Available,[H][C@@](C)(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=C(I)S1,,(R)-Bicalutamide,DB11995
570,570,570,Not Available,[H]N([H])C(=O)C1=C[Se]C(=N1)[C@]1([H])O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,,3-(4-{2-[2-(2-bromo-acetylamino)-ethyldisulfanyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-pyrazine-2-carboxylic acid,DB06393
571,571,571,Flurandrenolide is a corticosteroid used to treat corticosteroid-responsive dermatoses.,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO,,Heptabarbital,DB03467
572,572,572,Atogepant is an oral CGRP antagonist used for the preventative therapy of episodic migraine headaches.,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=C4C=CC=N2)C(=O)N1CC(F)(F)F)C1=C(F)C(F)=CC=C1F,,Hesperidin,DB11294
573,573,573,Protriptyline is a tricyclic antidepressant that is indicated in the treatment of depression only under close clinical supervision.,CNCCCC1C2=CC=CC=C2C=CC2=CC=CC=C12,,N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE,DB01380
574,574,574,Not Available,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@]1([H])O)C(O)=O,,Coenzyme A persulfide,DB04257
575,575,575,Bromodiphenhydramine is an ethanolamine antihistamine with antimicrobial property. Bromodiphenhydramine is used in the control of cutaneous allergies. Ethanolamine antihistamines produce marked sedation in most patients.,CN(C)CCOC(C1=CC=CC=C1)C1=CC=C(Br)C=C1,,Dabrafenib,DB08139
576,576,576,Not Available,NCC1CCN(CC(=O)NC2=CC=CC3=C2C(=O)C2=C(NN=C32)C2CCCCC2)CC1,,Sermorelin,DB00934
577,577,577,Not Available,COC1=CC(Cl)=C(OCCCCCCN2C=CN=C2)C=C1,,"7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE",DB08581
578,578,578,Flortaucipir F-18 is a small lipophilic tracer containing [18F]fluoride capable of crossing the blood-brain barrier and binding to aggregated tau protein; used in PET imaging for the diagnosis of Alzheimer's disease.,[18F]C1=CC=C(C=N1)C1=CC=C2C(NC3=C2C=NC=C3)=C1,,Histamine,DB07388
579,579,579,"SC12267 is a novel, small molecule agent from the class of DMARDs (disease modifying anti-rheumatic drug) for the therapy of autoimmune diseases such as rheumatoid arthritis or multiple sclerosis. Through highly selective inhibition of pyrimidine biosynthesis, it controls the growth of rapidly proliferating cells, especially of lymphocytes, which are important for the immune response.",,,Istradefylline,DB03024
580,580,580,Not Available,C[C@@H](O)CN1C=NC2=C1N=CN=C2N,,"3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine",DB11962
581,581,581,Not Available,OP(O)(=O)CCC(=C)C=O,,Sarizotan,DB08890
582,582,582,Not Available,[H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H],,"{3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID",DB15897
583,583,583,"Dabrafenib is a kinase inhibitor used to treat patients with specific types of melanoma, non-small cell lung cancer, and thyroid cancer.",CC(C)(C)C1=NC(=C(S1)C1=NC(N)=NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1,,Mevalonic acid,DB03489
584,584,584,Nebivolol is a beta blocking agent used to treat hypertension and aid in the management of heart failure.,OC(CNCC(O)C1CCC2=C(O1)C=CC(F)=C2)C1CCC2=C(O1)C=CC(F)=C2,,Epicriptine,DB00249
585,585,585,Not Available,[H][C@@](C)(NC)C(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(=O)N[C@]1([H])CCCC2=C1C=CC=C2)C(C)(C)C,,1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane,DB06733
586,586,586,Neomycin is an aminoglycoside antibiotic agent used orally and topically to treat a wide variety of infections in the body.,,,Umbralisib,DB07118
587,587,587,Epirubicin is an anthracycline topoisomerase II inhibitor used as an adjuvant to treating axillary node metastases in patients who have undergone surgical resection of primary breast cancer.,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,,Lenalidomide,DB05790
588,588,588,"MK-5108 has been used in trials studying the treatment of Cancer, Neoplasms, Tumors.",OC(=O)[C@@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](CC1)OC1=C(F)C(Cl)=CC=C1,,Dimercaprol,DB06144
589,589,589,Not Available,[H][C@]1(O)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,N-Cyclohexyl-N'-(4-Iodophenyl)Urea,DB05542
590,590,590,Carbimazole is a drug used for the reduction of thyroid function.,CCOC(=O)N1C=CN(C)C1=S,,Cyclophosphamide,DB08236
591,591,591,Not Available,C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1,,Hybrid Between B and C Type Hemes (Protoporphyrin Ixcontaining Fe),DB07465
592,592,592,Not Available,[H][C@](C)(CC1=CSC(N)=N1)C=O,,"N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine",DB09297
593,593,593,Terbutaline is a beta-2 adrenergic agonist used as a bronchodilator and to prevent premature labor.,CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1,,Thiamine,DB00169
594,594,594,Not Available,[H][C@]1(O)C(=O)O[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O,,Levothyroxine,DB08016
595,595,595,"Midostaurin is an antineoplastic agent used to treat high-risk acute myeloid leukemia (AML) with specific mutations, aggressive systemic mastocytosis (ASM), systemic mastocytosis with associated hematologic neoplasm (SM-AHN), or mast cell leukemia (MCL).",CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C(C=CC=C4)N21)C1=C3CNC1=O)N(C)C(=O)C1=CC=CC=C1,,"1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DB00647
596,596,596,"At low doses, OPC 28326 selectively vasodilates the femoral arterial bed due to its inhibitory action at alpha-2-adrenoceptors while having minimal action on systemic blood pressure, heart rate and coronary, carotid, vertebral, renal, and mesenteric blood flows. It is the only clinical compound with this profile. It is currently being investigated in the treatment of peripheral vascular diseases and Raynaud's syndrome.",O.Cl.CCC(=O)NC1=C(C)C=C(C=C1C)C(=O)N1CCC(CC1)N(C)CCC1=CC=CC=C1,,Thyrotropin alfa,DB02716
597,597,597,NPI 32101 possesses both anti-inflammatory and broad spectrum antimicrobial activities. This combination of pharmacological properties may have additional therapeutic uses beyond dermatology.,,,"N-[1-(2,6-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",DB09513
598,598,598,Betrixaban is a Factor Xa inhibitor used for prophylaxis of venous thromboembolism in hospitalized patients.,COC1=CC=C(NC(=O)C2=CC=C(C=C2)C(=N)N(C)C)C(=C1)C(=O)NC1=CC=C(Cl)C=N1,,Fluoxetine,DB08471
599,599,599,Not Available,CO[C@@H]1[C@@H](O)O[C@@H](C)[C@@H](O)[C@H]1O,,(S)-4-Nitrostyrene oxide,DB08453
600,600,600,Not Available,C[C@@H](O)[C@@H](N)C(O)=O,,"(2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid",DB07408
601,601,601,Not Available,[H][C@@](CCCC)(NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=C(Br)C=C1)C=O,,CA-074 methyl ester,DB03554
602,602,602,"Enzastaurin, an investigational, targeted, oral agent, will be evaluated at more than 100 sites worldwide for the treatment of relapsed glioblastoma multiforme (GBM), an aggressive and malignant form of brain cancer.",CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C2CCN(CC3=CC=CC=N3)CC2)C2=CC=CC=C12,,"2-Ammoniobut-3-Enoate, 2-Amino-3-Butenoate",DB03871
603,603,603,"Coenzyme A (CoA, CoASH, or HSCoA) is a coenzyme, well known for it's role in the synthesis and oxidation of fatty acids, and the oxidation of pyruvate in the citric acid cycle. All genomes sequenced to date encode enzymes that use coenzyme A as a substrate, and around 4% of cellular enzymes use it, or a thioester form of it, as a substrate. It is used as a supplement for the hypothetical treatment of acne.",CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,,"4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole",DB06064
604,604,604,Nirmatrelvir is an oral protease inhibitor with emergency use authorization for the treatment of mild-to-moderate COVID-19.,[H][C@]12CN([C@H](C(=O)N[C@@H](C[C@]3([H])CCNC3=O)C#N)[C@@]1([H])C2(C)C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C,,Arylacenamide,DB15119
605,605,605,"Dichloroacetic acid, often abbreviated DCA, is an acid analogue of acetic acid in which two of the three hydrogen atoms of the methyl group have been replaced by chlorine atoms. Salts of DCA are used as drugs since they inhibit the enzyme pyruvate dehydrogenase kinase. Early reports of its activity against brain cancer cells led patients to treat themselves with DCA, which is commercially available in non-pharmaceutical grade. A phase 1 study in 5 patients concluded that DCA was safe, but wasn't designed to establish effectiveness.",OC(=O)C(Cl)Cl,,"1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1 H-Indole-2-Carboxylic Acid",DB03530
606,606,606,Not Available,C[C@H](NC(=O)[C@@H](CC(=O)NO)CC1=CC=CC=C1)C(O)=O,,"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide",DB03186
607,607,607,Not Available,OC[C@H](O)[C@@H](O)CC(=O)C(O)=O,,Amdinocillin,DB03157
608,608,608,Not Available,FC(F)(F)C1=CC=CC=C1C1=CC=C(CC2C(=O)NC(=S)NC2=O)O1,,Clinofibrate,DB16453
609,609,609,Chromium is an ingredient found in a variety of supplements and vitamins.,[Cr],,"2,4-Dihydroxybenzoic Acid",DB02398
610,610,610,Not Available,[H][C@]1(C2CCN(CC2)S(C)(=O)=O)C2=C(C=C(Cl)C=C2)C(=CC2=C1N=CC=C2)N1CCNCC1,,Benzquinamide,DB15899
611,611,611,Not Available,CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)CC1,,"N-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine",DB07590
612,612,612,Odronextamab is a CD20xCD3 bispecific antibody used to treat relapsed/refractory B-Cell non-Hodgkin lymphoma.,,,KB002,DB11854
613,613,613,Not Available,OC1=C(Cl)C=C(C=C1Cl)C1=CC(Cl)=C(O)C(Cl)=C1,,Dinor-N(Omega)-Hydroxy-L-Arginine,DB02299
614,614,614,Not Available,[H][C@@](CCSC)(NC(O)=O)C(O)=O,,Prasugrel,DB03787
615,615,615,Acetophenazine is an antipsychotic drug of moderate-potency. It is used in the treatment of disorganized and psychotic thinking. It is also used to help treat false perceptions (e.g. hallucinations or delusions). It primarily targets the dopamine D2 receptor.,CC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,,"7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid",DB00093
616,616,616,Not Available,CC1=CC(OCC(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1,,"4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE",DB00343
617,617,617,Not Available,[H]S(=O)C[C@H](N)C(O)=O,,Rupatadine,DB03466
618,618,618,Letrozole is an aromatase inhibitor used to treat breast cancer in postmenopausal women.,N#CC1=CC=C(C=C1)C(N1C=NC=N1)C1=CC=C(C=C1)C#N,,Cysteine-S-acetamide,DB00412
619,619,619,"Ceftobiprole is a broad spectrum 5th-generation cephalosporin antibacterial indicated for certain kinds of pneumonia, bacteremia, and skin and skin structure infections, including those caused by MRSA.",[H][C@@]1(NC(=O)C(=N/O)\C2=NSC(N)=N2)C(=O)N2C(C(O)=O)=C(CS[C@]12[H])\C=C1/CCN(C1=O)[C@]1([H])CCNC1,,MDL72527,DB04071
620,620,620,Not Available,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O,,Rolipram,DB03363
621,621,621,Not Available,C(C)(C)C[C@H](C(=O)N[C@H](CCC1=CC=CC=C1)\C=C\S(=O)(=O)C1=CC=CC=C1)NC(=O)N1CCOCC1,,L-xylitol 5-phosphate,DB01861
622,622,622,"SR-9009 is a REV-ERB agonist. SR-9011 has been demonstrated that it is specifically lethal to cancer cells and oncogene-induced senescent cells, including melanocytic naevi, and has no effect on the viability of normal cells or tissues 1.",CCOC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,,Nedosiran,DB02812
623,623,623,Epothilone B is a 16-membered macrolide that mimics the biological effects of taxol.,[H]\C(=C(\C)[C@]1([H])C[C@]2([H])O[C@]2(C)CCC[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C(C)(C)[C@@]([H])(O)CC(=O)O1)C1=CSC(C)=N1,,Iptacopan,DB01399
624,624,624,"Trodusquemine, a spermine metabolite of cholesterol, is a naturally occurring aminosterol that inhibits protein tyrosine phosphatase 1B. It has demonstrated the ability to stimulate regeneration of heart and multiple other tissues in animal models 2.",[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C,,SB-269970,DB06230
625,625,625,Malathion is a parasympathomimetic organophosphate used to treat head lice.,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,,(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one,DB05488
626,626,626,Not Available,[H]N([C@@H]1[C@H](O)CC2=CC=CC=C12)C(=O)[C@H](C[C@H](O)CN1CCN(CC2=CC3=C(OCO3)C=C2)C[C@H]1C(=O)N([H])C(C)(C)C)[C@H](C)C1=CC=CC=C1,,Zinc acetate,DB00768
627,627,627,Not Available,CC[C@@H](C)[C@@H](NS(=O)(=O)CC1=CC(=CC=C1)C(O)=O)C(=O)N[C@@H](CCC(N)=N)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Carteolol,DB08209
628,628,628,Siltuximab is an interleukin antagonist used to treat multicentric Castleman's disease (MCD) in patients who are HIV and HHV-8 negative.,,EVQLVESGGKLLKPGGSLKLSCAASGFTFSSFAMSWFRQSPEKRLEWVAEISSGGSYTYYPDTVTGRFTISRDNAKNTLYLEMSSLRSEDTAMYYCARGLWGYYALDYWGQGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,CNS-5161,DB04080
629,629,629,Not Available,NOC(=O)NC1=CC=CC=C1,,Zalcitabine,DB00304
630,630,630,"A 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. Pregnenolone is the precursor to gonadal steroid hormones and the adrenal corticosteroids.",[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,,Contulakin-G,DB02116
631,631,631,"Ginkgo biloba is a herbal supplement found in over-the-counter or unapproved homeopathic products for various health conditions, such as cognitive, neurodegenerative, cardiovascular, and reproductive health disorders.",,,"1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",DB06548
632,632,632,Not Available,CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,,6-MORPHOLIN-4-YL-9H-PURINE,DB00842
633,633,633,Nicotinamide is an ingredient found in a variety of cosmetic products.,NC(=O)C1=CN=CC=C1,,Lypressin,DB03093
634,634,634,Not Available,OCCC(O)=O,,Bis(N-maleimidomethyl)ether,DB00358
635,635,635,Not Available,CC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2,,Adipiplon,DB07174
636,636,636,Ulobetasol is a lipocortin corticosteroid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses.,[H][C@@]12C[C@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,ROX-888,DB08221
637,637,637,Vasopressin is a peptide hormone used to increase blood pressure in patients with vasodilatory shock who are resistant to fluid and catecholamine therapy.,,CYFQNCPRG,Metoprolol,DB08734
638,638,638,Valaciclovir is an guanine nucleoside antiviral used to treat herpes exacerbations.,CC(C)[C@H](N)C(=O)OCCOCN1C=NC2=C1NC(N)=NC2=O,,6-Deoxyerythronolide B,DB07818
639,639,639,Not Available,[H][C@@]1(CCOC1=O)NC(=O)CCCCCCC,,Saredutant,DB07183
640,640,640,Not Available,OS(=O)(=O)C1=CC=C([Hg])C=C1,,Homosalate,DB00274
641,641,641,"N-Acetyl-glucosamine thiazoline (NAG-thiazoline) is an analog of the oxazolinium bicyclic intermediate leading from N-acetylglucosamine to 1,6-anhydro-N-acetylmuramic acid.",[H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(C)S2,,(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol,DB07421
642,642,642,Ripasudil is a rho kinase inhibitor indicated to treat ocular hypertension and open-angle glaucoma.,C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1,,5-(2-METHOXYPHENYL)-2-FUROIC ACID,DB07542
643,643,643,Not Available,C[C@H](NC(C)=O)C(O)=O,,PHENYLALANINE BORONIC ACID,DB01367
644,644,644,Indigotindisulfonic acid is a medication used to visualize ureteral orifices during cystoscopy and ureteral catheterization.,OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1,,5-Oxoprolinal,DB03609
645,645,645,Brivaracetam is an anticonvulsant used for the treatment of partial-onset seizures that functions by binding to synaptic vesicle glycoprotein 2A (SV2A) in the brain.,CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1,,"3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DB03341
646,646,646,Not Available,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@]23[H])C1,,Valpromide,DB01642
647,647,647,Not Available,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=C(C=C2)C2=CC=CC=N2)=N1,,N-{(4S)-4-Amino-5-[(2-aminoethyl)amino]pentyl}-N'-nitroguanidine,DB02741
648,648,648,Miglustat is a glucosylceramide synthase inhibitor used for the management of mild to moderate type I Gaucher disease for patients who are not candidates for whole enzyme replacement.,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,,"2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE",DB08723
649,649,649,Not Available,CCOP(=O)(OCC)OC1=CC=C(OC)C=C1,,4-CDP-2-C-methyl-D-erythritol 2-phosphate,DB01758
650,650,650,Not Available,NC1=NC2=C(N(CCNC(CO)CO)C=N2)C(=O)N1,,"3-(4-Fluorophenyl)-1-Hydroxy-2-(Pyridin-4-Yl)-1h-Pyrrolo[3,2-B]Pyridine",DB04523
651,651,651,"Depatuxizumab/Denintuzumab mafodotin has been used in trials studying the treatment of Lymphoma, Gliosarcoma, Glioblastoma, Malignant Glioma, Squamous Cell Tumors, and Glioblastoma Multiforme.",,,Metamizole,DB09299
652,652,652,Not Available,ON(CCOC1=CC=CC(=C1)C(=O)C1=CC=CC=C1)C=O,,5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID,DB08089
653,653,653,Not Available,[H]N(C=O)[C@H](C)CCCCCC,,Chromic nitrate,DB00921
654,654,654,Not Available,CC1=NN=C(O1)C1=CC=C(C(C)=C1)C1=CC(=CC=C1C)C(=O)NC1CC1,,cis-tetracosenoyl sulfatide,DB04933
655,655,655,Not Available,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS,,MK-886,DB07887
656,656,656,"TD-2749 is selective 5-HT4 agonists discovered by Theravance through the application of multivalent drug design in a drug discovery program dedicated to finding new medicines for GI motility disorders such as chronic constipation, constipation-predominant irritable bowel syndrome (C-IBS), opioid-induced constipation, functional dyspepsia and diabetic gastroparesis.",CC(C)N1N=C(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)C2=CC=CC=C12,,Tegoprazan,DB11641
657,657,657,Not Available,CCN1C(=O)CCC1=O,,"5-[Bis-2(Chloro-Ethyl)-Amino]-2,4-Dintro-Benzamide",DB01948
658,658,658,Not Available,[H]N([H])N(CC(O)=O)C(=O)CC([H])(O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1,,Kabiramide C,DB03413
659,659,659,Anidulafungin is an antifungal used in the treatment of several types of candida infections.,,,Obeticholic acid,DB00457
660,660,660,Glutamic acid is an amino acid commonly found as a component in total parenteral nutrition.,N[C@@H](CCC(O)=O)C(O)=O,,(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE,DB02857
661,661,661,The 3-cyclopentyl ether of ethinyl estradiol.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3,,"2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium",DB05470
662,662,662,"Forodesine is a highly potent, orally active, rationally designed PNP inhibitor that has shown activity in preclinical studies with malignant cells and clinical utility against T-cell acute lymphoblastic leukemia and cutaneous T-cell lymphoma. Additional preliminary findings support its use for the management of some B-cell malignancies.",OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2=O,,Miltefosine,DB00657
663,663,663,Not Available,[H][C@@](C)(O)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)CO,,Inecalcitol,DB16349
664,664,664,Not Available,[H]N(O)C(=O)N([H])[C@H](CC1=CC=CC=C1)C(O)=O,,Fluticasone propionate,DB00797
665,665,665,"Acenocoumarol is an anticoagulant drug used in the prevention of thromboembolic diseases in infarction and transient ischemic attacks, as well as management of deep vein thrombosis and myocardial infarction.",CC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C1=C(O)C2=CC=CC=C2OC1=O,,"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-3-ol",DB00522
666,666,666,"Adenosine phosphate, or adenylic acid, is an adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. Adenosine phosphate was withdrawn by the FDA since it was considered neither safe nor effective for its intended uses as a vasodilator and an anti-inflammatory.1",NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,,Caprylic acid,DB00728
667,667,667,Indirubin is under investigation in clinical trial NCT01735864 (Dosage Determination Trial for Indigo Naturalis Extract in Oil Ointment).,O=C1NC2=C(C=CC=C2)\C1=C1/NC2=C(C=CC=C2)C1=O,,"4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine",DB04972
668,668,668,"Cefroxadine is an orally available cephalosporin antibiotic. As part of its drug class, it shares structural properties to cefalexin as well as its activity spectrum. It was used in Italy but has since been withdrawn.",[H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O,,beta-D-arabinofuranose 5-phosphate,DB03238
669,669,669,Levothyroxine is a synthetic T4 hormone used to treat hypothyroidism that can be used along with surgery and radioiodine therapy to manage thyrotropin-dependent well-differentiated thyroid cancer.,N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,,Vinorelbine,DB04297
670,670,670,Not Available,[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(F)(F)F)[C@@]1([H])C1=CC=CS1)C(O)=O)C(O)=O,,Gentamicin C1a,DB00230
671,671,671,Not Available,CC1=CC(N2CCCS2(=O)=O)=C2OC(=C(O)C(=O)C2=C1)C1=CC=C(O)C(O)=C1,,Adenine,DB00280
672,672,672,Not Available,NC1(CC1)C(O)=O,,PSN9301,DB07340
673,673,673,D-alpha-Tocopherol acetate is a form of vitamin E used to treat and prevent vitamin deficiencies.,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1,,D-Eritadenine,DB16733
674,674,674,Sutimlimab is a monoclonal antibody directed towards complement subunit C1s used to reduce the need for blood transfusion due to hemolysis in patients with cold agglutinin disease.,,EVQLVESGGGLVKPGGSLRLSCAASGFTFSNYAMSWVRQAPGKGLEWVATISSGGSHTYYLDSVKGRFTISRDNSKNTLYLQMNSLRAEDTALYYCARLFTGYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Polydatin,DB11644
675,675,675,Not Available,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,,Papaverine,DB02726
676,676,676,Not Available,O=C1CN=C(C2=C(N1)SC1=C2CCCC1)C1=CC=CC=C1,,Cefamandole,DB08549
677,677,677,Aminoglutethimide is an adrenocortical steroid synthesis inhibitor used in the treatment of Cushing's syndrome.,CCC1(CCC(=O)NC1=O)C1=CC=C(N)C=C1,,Fluspirilene,DB04890
678,678,678,"Lorcaserin is a serotonin 2C receptor agonist used in conjunction with physical activity and calorie restriction for weight loss in obese patients with a body mass index (BMI) of 30 and above, and in overweight patients with weight-related comorbidities.",C[C@H]1CNCCC2=CC=C(Cl)C=C12,,[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID,DB05479
679,679,679,"Human interferon omega 1 (IFN-omega 1 = IFN-alpha II1) is a recently discovered protein structurally related to IFN-alpha and -beta. It occurs naturally in the human body and is currently being manufactured by Intarcia through genetic engineering. There are multiple routes for administration of omega interferon: injection, an implantable subcutaneous drug delivery system, and an oral formulation. It has been investigated both in single and combination treatment. The biological activities of IFN-omega 1 and its physiological role are not known to date.",,,Isoprenaline,DB15766
680,680,680,Oxacillin is a penicillin antibiotic used to treat a number of susceptible bacterial infections.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1)C(O)=O,,5-methyl-2'-deoxypseudouridine,DB09258
681,681,681,"Sulfamerazine is an antibacterial agent used in the treatment of various bacterial infections, such as bronchitis, prostatitis, and urinary tract infections.",CC1=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC=C1,,Gallium nitrate,DB04644
682,682,682,"Mito-4509 is a non-feminizing estrogen analog that could affect mitochondrial metabolic pathways. It is used to treat Parkinson's Disease, Alzheimer's Disease, Retinal Disorders and other neurologic Disorders.",,,5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole,DB04998
683,683,683,Not Available,CN(CC=C)C\C=C\COC1=CC2=C(C=C1)C(=CO2)C1=CC=C(Br)C=C1,,Candoxatrilat,DB04331
684,684,684,Fosfomycin is a broad spectrum antibiotic used to treat uncomplicated urinary tract infections.,C[C@@H]1O[C@@H]1P(O)(O)=O,,6-Methylamino-5-Nitroisocytosine,DB04117
685,685,685,Not Available,NC1=NC(CCC2=CC3=C(C=CN3)C=C2)=CC(=O)N1,,"[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID",DB01437
686,686,686,Not Available,OS(=O)(=O)CCNC1=CC=CC=C1,,"(5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE",DB01288
687,687,687,Lithium carbonate is a medication used to treat manic episodes of bipolar disorder.,[Li+].[Li+].[O-]C([O-])=O,,6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE,DB02151
688,688,688,"CYT006-AngQb is a therapeutic vaccine in development for treatment of hypertension. It is designed to instruct the patient’s immune system to produce an antibody response against angiotensin II, a small peptide that causes blood vessels to narrow and results in increased blood pressure. It is a unique treatment modality that aims to address the issue of patient compliance by offering convenient dosing schedules due to the long-lasting effect induced by vaccination.",,,Calcifediol,DB14517
689,689,689,Not Available,CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O,,Gatifloxacin,DB08569
690,690,690,Not Available,CCC1=CC=C(NS(=O)(=O)C2=CC=C(F)C=C2)C(C(O)=O)=C1C,,Guanfacine,DB00562
691,691,691,"Nissan Chemical and Taisho have been jointly developing NM-702, a drug for the treatment of arteriosclerosis obliterans.",,,LI-301,DB02801
692,692,692,,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)=O,,Carbamic Acid,DB01985
693,693,693,"Rabies immune globulin, human is a solution of antibodies used to prevent rabies after an exposure.",,,Insulin peglispro,DB01762
694,694,694,Not Available,OB(O)C1=CC=C(C=C1)C(O)=O,,Gemeprost,DB13926
695,695,695,Not Available,[H][C@](O)(COC(=O)CCCCC)COP(O)(O)=O,,4-Methoxyamphetamine,DB07637
696,696,696,Pyridostigmine is a cholinesterase inhibitor used for symptomatic treatment of myasthenia gravis and congenital myasthenic syndromes and to reverse neuromuscular blockade by nondepolarizing muscle relaxants.,CN(C)C(=O)OC1=C[N+](C)=CC=C1,,TAK-475,DB03648
697,697,697,"A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)",OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O,,D-Myo-Inositol-Hexasulphate,DB02865
698,698,698,Tetracaine is a local anaesthetic agent used to induce local analgesia in the eyes and skin during medical procedures.,CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C,,Talarozole,DB08605
699,699,699,"Ranirestat is a structurally novel and stereospecifically potent aldose reductase (AKR1B; EC 1.1.1.21) inhibitor, which contains a succinimide ring that undergoes ring-opening at physiological pH levels. It has been used in trials studying the treatment of Mild to Moderate Diabetic Sensorimotor Polyneuropathy.",FC1=C(CN2C(=O)C3=CC=CN3[C@@]3(CC(=O)NC3=O)C2=O)C=CC(Br)=C1,,Allosamidin,DB07925
700,700,700,Not Available,CN(C)CCO[P@](O)(=O)OP(O)(O)=O,,4-Nitrocatechol sulfate,DB06454
701,701,701,Not Available,[H][C@@]1(CN(CCN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)OCC1=CC=CC=C1)C(=O)NO,,GTS-21,DB01250
702,702,702,Not Available,[H][C@](CC1=CC=CC2=CC=CC=C12)(N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O)C(O)=O,,{3-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Amino]-2-Methyl-Propyl}-Phosphonic Acid,DB01190
703,703,703,Coagulation factor VII human is a coagulation factor used to treat bleeding disorders such as hemophilia and Glanzmann's thrombasthenia.,,,(R)-Mandelic acid,DB03570
704,704,704,"A delta-4 C19 steroid that is produced not only in the testis, but also in the ovary and the adrenal cortex. Depending on the tissue type, androstenedione can serve as a precursor to testosterone as well as estrone and estradiol.",[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE,DB08201
705,705,705,Not Available,COCCNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C(C)C)C=C1,,5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide,DB03695
706,706,706,Maribavir is a cytomegalovirus (CMV) pUL97 kinase inhibitor used for the treatment of refractory post-transplant CMV infection.,CC(C)NC1=NC2=CC(Cl)=C(Cl)C=C2N1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,,dATP,DB05374
707,707,707,Rifabutin is an antibiotic used to treat mycobacterium avium complex disease in patients with HIV.,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21,,Trihexyphenidyl,DB02279
708,708,708,Not Available,CCCCCCCCCCCCCCCCS(F)(=O)=O,,Isoluminol,DB08388
709,709,709,Not Available,[H][C@]1(SCC(=NC=C1C(O)=O)C(O)=O)C1=CN2C(SC3=C2CCC3)=N1,,Fasudil,DB07951
710,710,710,Not Available,CCOP(O)(=S)OCC,,Zinc Substituted Heme C,DB06133
711,711,711,Not Available,[H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC,,Amphetamine,DB08782
712,712,712,Ceralasertib is under investigation in clinical trial NCT03682289 (Phase II Trial of AZD6738 Alone and in Combination With Olaparib).,C[C@@H]1COCCN1C1=NC(=NC(=C1)C1(CC1)[S@](C)(=N)=O)C1=CN=CC2=C1C=CN2,,DIMETHYL THIOPHOSPHATE,DB07314
713,713,713,Not Available,[H][C@]1(O)O[C@]([H])(COS(O)(=O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NS(O)(=O)=O,,"(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID",DB13925
714,714,714,Vericiguat is a soluble guanylate cyclase stimulator used to reduce heart failure-related hospitalization and cardiovascular death in patients with chronic systolic heart failure.,COC(=O)NC1=C(N)N=C(N=C1N)C1=NN(CC2=CC=CC=C2F)C2=C1C=C(F)C=N2,,2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine,DB06750
715,715,715,Not Available,[H][C@](O)(CCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC,,octyl alpha-L-altropyranoside,DB03706
716,716,716,Netupitant is an antiemetic agent used in combination with palonosetron to prevent acute and delayed vomiting and nausea caused by chemotherapy.,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1,,Calcium,DB08445
717,717,717,LetibotulinumtoxinA is a purified type A botulinum neurotoxin protein complex used to improve the appearance of glabellar lines.,,,N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide,DB05905
718,718,718,Not Available,[O-]C(=O)C1=[NH+]CCC1,,Lapatinib,DB00191
719,719,719,"Tipifarnib (R-115777) is a substance that is being studied in the treatment of acute myeloid leukemia (AML) and other types of cancer. It belongs to the family of drugs called farnesyltransferase inhibitors. It is also called Zarnestra. In June 2005, the FDA issued a Not Approvable Letter for Zarnestra.",CN1C=NC=C1[C@@](N)(C1=CC=C(Cl)C=C1)C1=CC2=C(C=C1)N(C)C(=O)C=C2C1=CC(Cl)=CC=C1,,Pam2csk4,DB15133
720,720,720,Not Available,OC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,,6-[N-(4-(Aminomethyl)Phenyl)Carbamyl]-2-Naphthalenecarboxamidine,DB00733
721,721,721,,CC1CC(CC(C)(C)C1)OC(=O)C1=C(O)C=CC=C1,,Metocurine,DB05202
722,722,722,Not Available,OC1=CC=C(C=C1O)[As+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1,,Tucatinib,DB02694
723,723,723,Not Available,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,,4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE,DB00449
724,724,724,Not Available,[H][C@](C)(NS(=O)(=O)C1=CC=C(OC)C=C1)C(O)=O,,(R)-3-hydroxytetradecanoic acid,DB00043
725,725,725,Not Available,O=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2,,"4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid",DB07426
726,726,726,Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate. [PubChem],NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,,SN-38,DB04043
727,727,727,Not Available,NC1=C(F)C=C(C=C1Cl)S(=O)(=O)NC1=NN=C(S1)S(N)(=O)=O,,Teplizumab,DB01137
728,728,728,Enoximone is a selective phosphodiesterase inhibitor indicated in the short term treatment of congestive heart failure.,CSC1=CC=C(C=C1)C(=O)C1=C(C)NC(=O)N1,,Olaparib,DB09085
729,729,729,Not Available,CCCCCCCCCCP(C)(C)=O,,1-Monohexanoyl-2-Hydroxy-Sn-Glycero-3-Phosphate,DB00678
730,730,730,Not Available,CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=[N+]1[O-],,Nortriptyline,DB11263
731,731,731,"The compound, named BILN 2061, is an orally active inhibitor of the HCV NS3 protease and the first member of this new drug class to be tested in humans.",COC1=CC2=C(C=C1)C(O[C@H]1CN3C(=O)[C@H](CCCCC\C=C/[C@]4([H])C[C@@]4(C(O)=O)NC(=O)[C@]3([H])C1)NC(=O)OC1CCCC1)=CC(=N2)C1=CSC(NC(C)C)=N1,,"N-[(2S,3S)-4-[2-[(5S)-3a,4,5,6,7,7a-Hexahydro-1,3-benzodioxol-5-yl]ethyl-[3-(1,3-dioxoisoindol-2-yl)propanoyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3,5-dimethoxy-4-phenylmethoxybenzamide",DB12061
732,732,732,Not Available,NC1=C2N=CN([C@H]3CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C2=NC=N1,,Navitoclax,DB04132
733,733,733,"Thyroid, porcine is a naturally-occurring peptide hormone used for the replacement therapy for hypothyroidism of any etiology, treatment for euthyroid goiters, and management of thyroid cancers.",,,Lintitript,DB02303
734,734,734,16-Bromoepiandrosterone is an injectable formulation of a compound called alpha-epi-bromide. It is a chemical relative of DHEA which was selected for development after it showed antiretroviral activity in laboratory tests.,[H][C@@]12C[C@@H](Br)C(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,,Nicergoline,DB00099
735,735,735,Not Available,CC1=CC2=C(C=C1)N=CN2,,Fosamprenavir,DB07853
736,736,736,"Quinidine is a medication used to restore normal sinus rhythm, treat atrial fibrillation and flutter, and treat ventricular arrhythmias.",[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@@H](O)C1=C2C=C(OC)C=CC2=NC=C1,,Miglitol,DB01240
737,737,737,Not Available,CC1=CC2=C(C=C1)N(CCCN)C1=C2C2=C(C(=O)NC2=O)C(C)=C1,,1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-4-METHYL-1H-INDOLE,DB00808
738,738,738,Not Available,NCCC[C@@](N)(C(F)F)C(O)=O,,"N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE",DB00619
739,739,739,"Navitoclax has been used in trials studying the treatment and basic science of Solid Tumors, Non-Hodgkin's Lymphoma, EGFR Activating Mutation, Chronic Lymphoid Leukemia, and Hematological Malignancies, among others.",[H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F,,Alosetron,DB16318
740,740,740,Leronlimab is a humanized monoclonal antibody being investigated,,,Prenylamine,DB07873
741,741,741,"XL844 is investigated for the use and treatment solid tumors. XL844 is a solid. XL844 is a potent inhibitor of the checkpoint kinases CHK1 and CHK2, which induce cell cycle arrest in response to a variety of DNA damaging agents. Known drug targets of XL844 including serine/threonine-protein kinase Chk1 and serine/threonine-protein kinase Chk2.",,,L-2-Amino-6-Methylene-Pimelic Acid,DB00033
742,742,742,Not Available,[H][C@@](CC1=CC=C(C[Se](O)=O)C=C1)(NC(=O)OC(C)(C)C)C(=O)OC,,"1,4-Dideoxy-O2-Sulfo-Glucuronic Acid",DB03809
743,743,743,Nicorandil is a vasodilatory drug that functions through potassium channels and intracellular cGMP concentrations commonly used to treat angina.,[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1,,LevomentholCommonly known or available as Menthol,DB07479
744,744,744,Not Available,FC1=CC=C(C=C1)C1=CNN=C1C1=CC(F)=NC=C1,,7-Hydroxystaurosporine,DB03722
745,745,745,Catridecacog is a recombinant FXIII subunit‐A molecule evaluated for clotting factor replacement therapy in congenital FXIII deficiency.,,MSETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDTNKVDHHTDKYENNKLIVRRGQSFYVQIDFSRPYDPRRDLFRVEYVIGRYPQENKGTYIPVPIVSELQSGKWGAKIVMREDRSVRLSIQSSPKCIVGKFRMYVAVWTPYGVLRTSRNPETDTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCLYVMDRAQMDLSGRGNPIKVSRVGSAMVNAKDDEGVLVGSWDNIYAYGVPPSAWTGSVDILLEYRSSENPVRYGQCWVFAGVFNTFLRCLGIPARIVTNYFSAHDNDANLQMDIFLEEDGNVNSKLTKDSVWNYHCWNEAWMTRPDLPVGFGGWQAVDSTPQENSDGMYRCGPASVQAIKHGHVCFQFDAPFVFAEVNSDLIYITAKKDGTHVVENVDATHIGKLIVTKQIGGDGMMDITDTYKFQEGQEEERLALETALMYGAKKPLNTEGVMKSRSNVDMDFEVENAVLGKDFKLSITFRNNSHNRYTITAYLSANITFYTGVPKAEFKKETFDVTLEPLSFKKEAVLIQAGEYMGQLLEQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVEFTNPLKETLRNVWVHLDGPGVTRPMKKMFREIRPNSTVQWEEVCRPWVSGHRKLIASMSSDSLRHVYGELDVQIQRRPSM,ZEN-012,DB03049
746,746,746,Pentoxifylline is a methylxanthine derivative used to treat intermittent claudication caused by chronic occlusive arterial disease of the limbs.,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C,,PNU177836,DB00675
747,747,747,Not Available,CC(=O)C1=CC=CC(=C1)C1=CN=C2C=CC(NCC3CC3)=NN12,,Piperacillin,DB03717
748,748,748,Not Available,[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C,,3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid,DB08391
749,749,749,Not Available,COC(=O)\C=C\C1=CC(=CC=C1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C)C(=O)C1CCCCC1,,Bethanechol,DB11840
750,750,750,"Mezagitamab is under investigation in clinical trial NCT04278924 (Study to Evaluate Safety, Tolerability, and Efficacy of TAK-079 in Participants With Persistent/chronic Primary Immune Thrombocytopenia).",,,Ginsenoside Rb1,DB04441
751,751,751,Not Available,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)C1=C(C=CC=C1C)C(=O)NO,,"N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE",DB04534
752,752,752,Not Available,NC(N)=NC1=CC=C(C=C1)B1OC[C@@H](CO)O1,,Elacytarabine,DB04836
753,753,753,"Ruxolitinib is a kinase inhibitor used to treat various types of myelofibrosis, polycythemia vera in patients who have not responded to or cannot tolerate hydroxyurea, and to treat graft-versus-host disease in cases that are refractory to steroid treatment.",N#CC[C@H](C1CCCC1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,,N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE,DB06926
754,754,754,Histrelin is a GnRH agonist found in subcutaneous implants used for the treatment of pediatric patients with central precocious puberty and the palliative treatment of advanced prostate cancer.,CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1,,2-Morpholinoethylamine,DB00139
755,755,755,"Bioallethrin refers to a mixture of two of the allethrin isomers (1R,trans;1R and 1R,trans;1S) in an approximate ratio of 1:1, where both isomers are active ingredients. A mixture of the two same stereoisomers, but in an approximate ratio of R:S in 1:3, is called esbiothrin. A mixture containing only S-forms of allethrin is referred to as esbioallethrin or S-bioallethrin. Bioallethrin is a synthetic pyrethroid used as a pesticide against household pest insects such as mosquitoes, houseflies and cockroaches. It is claimed to have low mammalian toxicity.",CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,,2-Aminothiazoline,DB09300
756,756,756,Not Available,[H]N([H])C1=NC(=O)C2=NN(N([H])C2=N1)C1=CC=CC(=C1)C(=O)N([H])CC1=CC=CC=C1SC1=CC=CC=C1CO,,"N-(3-Cyclopropyl(5,6,7,8,9,10-Hexahydro-2-Oxo-2h-Cycloocta[B]Pyran-3-Yl)Methyl)Phenylbenzensulfonamide",DB01877
757,757,757,Not Available,CCOC(=O)CO\N=C(\C1=CC=CC=N1)C1(CC1)C1=CC=C2N(C)C(CNC3=CC=C(C=C3)C(N)=N)=NC2=C1,,RPR131247,DB00632
758,758,758,Clevidipine is a dihydropyridine L-type calcium channel blocker used to lower blood pressure when oral antihypertensive therapy is not feasible or not desirable.,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC(Cl)=C1Cl)C(=O)OC,,N-Acetylglucosamine,DB02832
759,759,759,Not Available,O[C@H](C(O)=O)C1=CC=CC=C1,,Flupirtine,DB01745
760,760,760,"Dezocine is a partial opiate drug and is used for pain management. Dezocine is a very effective alternative to fentanyl when administered during outpatient laparoscopy, although is associated with an increased incidence of postoperative nausea.",[H][C@@]12CC3=CC=C(O)C=C3[C@@](C)(CCCCC1)[C@H]2N,,"3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile",DB00825
761,761,761,Sulfisoxazole is a sulfonamide antibiotic used with other antibiotics to prevent and treat a variety of bacterial infections.,CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C,,1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE,DB02354
762,762,762,Not Available,CC1=CC=CC(=N1)C1=NC(NC2=CC=C3NN=CC3=C2)=C2C=CC=CC2=N1,,Cpad,DB14542
763,763,763,"Cromoglicic acid is a medication used to treat asthma, allergic reactions of the eyes and nose, as well as other mast cell reactions.",OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O)COC1=CC=CC2=C1C(=O)C=C(O2)C(O)=O,,3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid,DB08128
764,764,764,Not Available,CC[C@@H](C1=CC(NC(=O)CNC(=O)OC(C)(C)C)=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O,,Tegafur-uracil,DB03868
765,765,765,"Vaccine against Lyme disease that contains lipoprotein OspA, an outer surface protein of Borrelia burgdorferi sensu stricto ZS7, as expressed by Escherichia coli. Lipoprotein OspA is a single polypeptide chain of 257 amino acids with lipids covalently bonded to the N terminus. It is conjugated with alum (aluminum hydroxide) as an adjuvant.",,MKKYLLGIGLILALIACKQNVSSLDEKNSVSVDVPGGMKVLVSKEKNKDGKYDLMATVDNVDLKGTSDKNNGSGILEGVKADKSKVKLTVADDLSKTTLEVLKEDGTVVSRKVTSKDKSTTEAKFNEKGELSEKTMTRANGTTLEYSQMTNEDNAAKAVETLKNGIKFEGNLASGKTAVEIKEGTVTLKREIDKNGKVTVSLNDTASGSKKTASWQESTSTLTISANSKKTKDLVFLTNGTITVQNYDSAGTKLEGSAAEIKKLDELKNALR,Biopterin,DB07742
766,766,766,"Tenocyclidine (TCP, thienyl cyclohexylpiperidine) is a dissociative anesthetic drug with stimulant and hallucinogenic effects. It is more potent than phencyclidine and hence, this drug was classified under the schedule 1 in 1970.",C1CCN(CC1)C1(CCCCC1)C1=CC=CS1,,"4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DB05533
767,767,767,Bezlotoxumab is a monoclonal antibody used to reduce the recurrence of Clostridium difficile infections.,,EVQLVQSGAEVKKSGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIFYPGDSSTRYSPSFQGQVTISADKSVNTAYLQWSSLKASDTAMYYCARRRNWGNAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Rocaglamide,DB03446
768,768,768,Not Available,[H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC,,GSK-923295,DB00481
769,769,769,Not Available,OCCCCCCCCCCCC(O)=O,,Exisulind,DB12698
770,770,770,An estrogenic steroid produced by horses. It has a total of four double bonds in the A- and B-ring. High concentration of equilin is found in the urine of pregnant mares.,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC=C21)C=C(O)C=C3,,1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA,DB11568
771,771,771,Not Available,N1C=CC(=N1)C1=NC2=CC=CC=C2N1,,Luliconazole,DB04671
772,772,772,Not Available,[O-][N+](=O)C1=CC2=C(NC3=C2CC(=O)NC2=C3C=CC=C2)C=C1,,Tagraxofusp,DB00357
773,773,773,Echothiophate is an acetylcholinesterase inhibitor used in ophthalmic preparations to increase the drainage of intraocular fluid; most commonly used for the treatment of glaucoma.,CCOP(=O)(OCC)SCC[N+](C)(C)C,,"3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid",DB03841
774,774,774,Not Available,CC1=C(Cl)C=C(NC2=NC(=CC=N2)C2=CC(=NC=C2)N2CCN(CCN)CC2)C=C1,,Alpelisib,DB08070
775,775,775,Not Available,C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F,,"5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE",DB05386
776,776,776,Not Available,O[C@@H]1CC(=C[C@@H](OP(O)(O)=O)[C@H]1O)C(O)=O,,Camphane,DB05492
777,777,777,Not Available,[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,INCB3284,DB07857
778,778,778,Azelastine is a histamine H1-receptor antagonist used intranasally to treat allergic and vasomotor rhinitis and in an ophthalmic solution to treat allergic conjunctivitis.,CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O,,"N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE",DB04243
779,779,779,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)N4C=C(C)C(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,,Pioglitazone,DB00565
780,780,780,Not Available,[H]\C1=C([H])\C(=O)[C@@H](O)[C@@H](O)C[C@H]2O[C@@H]2C2=C(C(O)=CC(OC)=C2)C(=O)O[C@@H](C)C1,,S-palmitoyl-L-cysteine,DB02975
781,781,781,Not Available,[H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C,,Diphenhydramine,DB01369
782,782,782,"Boston Life Sciences (BLS) is developing Altropane as a potential radio-imaging agent to be used with single photon emission tomography (SPECT), for the early diagnosis of Parkinson's disease (PD) and attention deficit hyperactivity disorder (ADHD).",[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C(F)C=C1)C(=O)OC)N2C\C=C\I,,"(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",DB08001
783,783,783,Not Available,[H][C@]1(C)CC[C@@]([H])(CC1)C(=O)N(C(C)C)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,,Renzapride,DB07819
784,784,784,Faricimab is an IgG1-derived bispecific antibody against VEGF-A and Ang-2 for the treatment of age-related macular degeneration and diabetic macular edema.,,,Clomocycline,DB08874
785,785,785,Not Available,[H]N(CCO)C1=NC(N([H])C2=CC(Cl)=CC=C2)=C2N=CN(C(C)C)C2=N1,,Cefpiramide,DB15226
786,786,786,Not Available,COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1,,Efavirenz,DB04887
787,787,787,Seratrodast (INN) is a thromboxane receptor antagonist used primarily in the treatment of asthma.,CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O,,Everolimus,DB01373
788,788,788,"Pirenzepine is an antimuscarinic agent used to treat peptic ulcers, gastric ulcers, and duodenal ulcers.",CN1CCN(CC(=O)N2C3=CC=CC=C3C(=O)NC3=C2N=CC=C3)CC1,,1-Deoxy-D-xylulose 5-phosphate,DB07842
789,789,789,"Lobeglitazone is an antidiabetic medication from the thiazolidinedione class of drugs. It primarily functions as an insulin sensitizer by binding and activating Peroxisome Proliferator-Activated Receptors (PPAR) gamma within fat cells. By activating PPAR-gamma and promoting the binding of insulin at fat cells, lobeglitazone thereby has been shown to reduce blood sugar levels, lower hemoglobain A1C (HbA1C) levels, and improve lipid and liver profiles 1. Unlike Pioglitazone, which is a dual PPAR agonist at PPAR-alpha and PPAR-gamma, Lobeglitazone is a pure PPAR-alpha agonist.",COC1=CC=C(OC2=NC=NC(=C2)N(C)CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,,Robalzotan,DB08707
790,790,790,Cefditoren is a broad-spectrum third-generation cephalosporin antibiotic typically used to treat bacterial infections of the skin and respiratory tract.,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,"2-Methyl-2-propanyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",DB03517
791,791,791,Not Available,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2,,Resatorvid,DB00591
792,792,792,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(C[C@]12C)OC(=O)CCC(O)=O)C(C)=O,,Quinaldic Acid,DB03217
793,793,793,"Difluocortolone is a topical corticosteroid used for the symptomatic treatment of inflammatory skin disorders like eczema, seborrheic eczema, lichen planus and psoriasis.",[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,Willardiine,DB07481
794,794,794,"Acetaminophen is an analgesic drug used alone or in combination with opioids for pain management, and as an antipyretic agent.",CC(=O)NC1=CC=C(O)C=C1,,Pyrroloquinoline Quinone,DB07716
795,795,795,Not Available,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,,SKF-91488,DB07098
796,796,796,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)OC([H])(F)[C@@]1([H])F,,Bupivacaine,DB12008
797,797,797,Methylene blue is an oxidation-reduction agent used for the treatment of pediatric and adult patients with acquired methemoglobinemia.,[Cl-].CN(C)C1=CC2=[S+]C3=C(C=CC(=C3)N(C)C)N=C2C=C1,,CA4P,DB07683
798,798,798,"Quetiapine is an atypical antipsychotic agent used for the management of bipolar disorder, schizophrenia, and major depressive disorder.",OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12,,"(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide",DB05015
799,799,799,Not Available,CCNC(=O)C1=NOC(=C1C1=CC=C(CN2CCOCC2)C=C1)C1=C(O)C=C(O)C(Cl)=C1,,"[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID",DB06706
800,800,800,"Enprofylline is a derivative of theophylline which shares bronchodilator properties. Enprofylline is used in asthma, chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. Long-term enprofylline administration may be associated with elevation in liver enzyme levels and unpredictable blood levels.",CCCN1C2=C(NC=N2)C(=O)NC1=O,,Procarbazine,DB00158
801,801,801,Trihexyphenidyl is an antispasmodic drug used as an adjunct drug in the management of parkinsonism and as a treatment for extrapyramidal symptoms caused by drugs affecting the central nervous system (CNS).,OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1,,Dodecyltrimethylammonium,DB01237
802,802,802,Not Available,COC1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=CN=C1)[C@H](C(C)C)C(=O)NO,,S-(2-Acetamidoethyl) hexadecanethioate,DB08473
803,803,803,Not Available,OC(=O)C1=CC=C(O1)C1=CC=C(C=C1Cl)[N+]([O-])=O,,Mexazolam,DB03037
804,804,804,Not Available,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N,,Thiacloprid,DB08922
805,805,805,Not Available,[H]N(C(CN1CCOCC1)CN1CCOCC1)C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O,,"4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",DB00747
806,806,806,Phloretin is a natural dihydrochalcone found in apples and many other fruits.,OC1=CC=C(CCC(=O)C2=C(O)C=C(O)C=C2O)C=C1,,"3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one",DB08687
807,807,807,Not Available,CCC[C@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O,,Glecaprevir,DB07413
808,808,808,Not Available,O[As](O)O,,Cefdinir,DB00554
809,809,809,Not Available,NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(O)=O)N=C2C(=O)N1,,Resveratrol,DB05506
810,810,810,Not Available,NC(=O)C1=NN(C2=C1C=CC1=C2C=NN1)C1=CC=C(C=C1)S(N)(=O)=O,,Lonafarnib,DB02964
811,811,811,Not Available,C[C@@H]1CC(=O)NN=C1C1=CC=C(NC2=C(CC3=CC(I)=CC=C3)C(=O)CCC2)C=C1,,Ramucirumab,DB08533
812,812,812,Degarelix is a GnRH receptor antagonist used in the management of advanced prostate cancer.,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,,"(10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one",DB03414
813,813,813,Lonoctocog alfa is a recombinant Factor VIII used to treat hemophilia A to control bleeding.,,,Tetrachlorodecaoxide,DB03552
814,814,814,"Hyaluronidase (human recombinant) is an enzyme used to improve the absorption and dispersion of parenterally administered fluids, drugs, and contrast agents.",,,4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE,DB07236
815,815,815,"Anagrelide is a platelet-reducing agent used to treat thrombocythemia, and its related complications, secondary to myeloproliferative neoplasms.",ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl,,8-iodo-guanine,DB00401
816,816,816,"Dupilumab is a monoclonal antibody used to treat moderate to severe atopic dermatitis, asthma, and nasal polyps accompanied by chronic rhinosinusitis in adolescents and adults.",,EVQLVESGGGLEQPGGSLRLSCAGSGFTFRDYAMTWVRQAPGKGLEWVSSISGSGGNTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDRLSITIRPRYYGLDVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,Spirapril,DB03905
817,817,817,Not Available,[H][C@](N)(CC[C@@]1([H])C=CC([H])(N)C=C1)C(O)=O,,"N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-7-yl)-2-methylpropyl]-4-phenoxybenzamide",DB06317
818,818,818,Not Available,BrC1=C2C=C(C=C(NCC3=CN=CN=C3)N2N=C1)C1=CC=CC=C1,,Darapladib,DB05271
819,819,819,Not Available,C[C@@H](Cl)CCl,,Momelotinib,DB00925
820,820,820,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(OCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O,,3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one,DB08178
821,821,821,Not Available,[H]N([H])[C@@H]([C@@H](C)CC)C(=O)N([H])S(=O)(=O)N([H])C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,Castor oil,DB07626
822,822,822,Not Available,OB1OCCO1,,Berberine,DB03707
823,823,823,"Moxisylyte, denominated as thymoxamine in the UK, is a specific and orally active α1-adrenergic antagonist.10 According to the WHO, moxisylyte is approved since 19879 and in the same year, it acquired the denomination of orphan product by the FDA.11 This drug was developed by the Japanese company Fujirebio and also by the American company Iolab in the late 80s.",CC(C)C1=C(OCCN(C)C)C=C(C)C(OC(C)=O)=C1,,Banoxantrone,DB00429
824,824,824,"A thiazide diuretic with properties similar to those of hydrochlorothiazide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p830)",NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C(Cl)Cl,,Atl146e,DB00709
825,825,825,Not Available,[H][C@]1(CC2=C(Br)C(Br)=C(O)C(OCC)=C2)SC(=S)N(CC(O)=O)C1=O,,Olanzapine,DB00082
826,826,826,Propanoic acid is an antimicrobial food additive.,[H]CCC(O)=O,,PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE,DB04405
827,827,827,Not Available,CC(C)COC1=CC=CC(C2=NC3=C(N2)C=C(Cl)C(=C3)C(N)=N)=C1O,,7-Methoxy-8-[1-(Methylsulfonyl)-1h-Pyrazol-4-Yl]Naphthalene-2-Carboximidamide,DB03278
828,828,828,Interferon alfa is an immunomodulator used to treat hepatitis B and C as well as certain types of cancer including cutaneous T-cell lymphoma and renal cell carcinoma.,,CDLPETHSLDNRRTLMLLAQMSRISPSSCLMDRHDFGFPQEEFDGNQFQKAPAISVLHELIQQIFNLFTTKDSSAAWDEDLLDKFCTELYQQLNDLEACVMQEERVGETPLMNADSILAVKKYFRRITLYLTEKKYSPCAWEVVRAEIMRSLSLSTNLQERLRRKE,XL765,DB07877
829,829,829,Not Available,NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2,,(R)-Rolipram,DB03577
830,830,830,"Tosedostat has been used in trials studying the treatment and supportive care of AML, Leukemia, Pancreas Cancer, Multiple Myeloma, and Pancreatic Cancer, among others.",CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)C1=CC=CC=C1,,DG051,DB02213
831,831,831,BMS-488043 has been investigated as an anti-HIV agent.,COC1=C2C(NC=C2C(=O)C(=O)N2CCN(CC2)C(=O)C2=CC=CC=C2)=C(OC)N=C1,,beta-Alanine,DB00955
832,832,832,"Gavorestat is under investigation in clinical trial NCT04902781 (Clinical Benefit, Safety, PK and PD Study of AT-007 in Pediatric Subjects With Classic Galactosemia).",OC(=O)CC1=NN(CC2=NC3=CC(=CC=C3S2)C(F)(F)F)C(=O)C2=CSC=C12,,Hydrochlorothiazide,DB08324
833,833,833,Not Available,CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,,Dotarizine,DB01384
834,834,834,Not Available,NC1=CC=CC2=C1C=CN=C2,,Dyclonine,DB06263
835,835,835,Ciltacabtagene autoleucel is a BCMA-directed CAR T-cell therapy used in the treatment of relapsed or refractory multiple myeloma in previously treated patients.,,,2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide,DB03201
836,836,836,Not Available,[H]N1C(=O)C(CC2=CC=C(C=C2)N2CCN(CC2)C=O)C2=CC=CC=C12,,Isatuximab,DB00462
837,837,837,Not Available,N[C@@H](CS[AsH]O)C(O)=O,,Tixagevimab,DB00114
838,838,838,Not Available,OC(=O)\C=C\C1=CC=C(O)C=C1,,12-Hydroxydodecanoic Acid,DB03097
839,839,839,Etidronic acid is a bisphosphonate drug that prevents osteoclastic bone resorption; used for the prevention and treatment of osteoporosis.,CC(O)(P(O)(O)=O)P(O)(O)=O,,Porphobilinogen,DB00226
840,840,840,Not Available,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)CC(=O)OCC3CCCN(C)C3)[C@@H]1C)=C(N1CCOCC1)C2=O,,Incadronic acid,DB00115
841,841,841,Tiludronic acid is a bisphosphonate used for the treatment of Paget's disease of bone.,OP(O)(=O)C(SC1=CC=C(Cl)C=C1)P(O)(O)=O,,Phenylethane Boronic Acid,DB01844
842,842,842,Not Available,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)CCC2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,,Oxyphenonium,DB01678
843,843,843,Not Available,[H][C@](CC)(NC=O)C1=CC=CC=C1,,N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline,DB09369
844,844,844,An analog of inosine with a methylthio group replacing the hydroxyl group in the 6-position.,CSC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,Pacritinib,DB04522
845,845,845,Goserelin is a synthetic analog of luteinizing hormone-releasing hormone used to treat breast cancer and prostate cancer by reducing secretion of gonadotropins from the pituitary.,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,,Fondaparinux,DB07558
846,846,846,Not Available,NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1,,5-N-Allyl-arginine,DB07152
847,847,847,Not Available,[H][C@](CC(O)=O)(NC(=O)C1=CC(=CS1)C1=CC=C(C=C1)C1=CC=NC=C1)C1=CC=CC=C1,,Fructose-6-phosphate,DB03107
848,848,848,"Mirvetuximab soravtansine is a folate receptor alpha-directed antibody and microtubule inhibitor conjugate used to treat folate receptor alpha positive, platinum-resistant epithelial ovarian, fallopian tube, or primary peritoneal cancer.",,QVQLVQSGAEVVKPGASVKISCKASGYTFTGYFMNWVKQSPGQSLEWIGRIHPYDGDTFYNQKFQGKATLTVDKSSNTAHMELLSLTSEDFAVYYCTRYDGSRAMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,Pipamperone,DB13242
849,849,849,Lecozotan has been used in trials studying the treatment of Alzheimer Disease.,C[C@H](CN(C(=O)C1=CC=C(C=C1)C#N)C1=CC=CC=N1)N1CCN(CC1)C1=CC=CC2=C1OCCO2,,Clorazepic acid,DB05939
850,850,850,Daclizumab is a monoclonal anti-CD25 antibody that blocks the interleukin-2 receptor which is used to treat relapsing forms of multiple sclerosis.,,QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYRMHWVRQAPGQGLEWIGYINPSTGYTEYNQKFKDKATITADESTNTAYMELSSLRSEDTAVYYCARGGGVFDYWGQGTTLTVSSGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Dalfopristin,DB04212
851,851,851,Not Available,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)C(=O)N1,,Amobarbital,DB11682
852,852,852,Recombinant nematode anticoagulant protein c2 (rNAPc2) is a specific inhibitor of tissue factor (TF)/factor VIIa complex with novel antithrombotic activity. 1,,,Metformin,DB06994
853,853,853,Bicalutamide is an androgen receptor inhibitor used to treat Stage D2 metastatic carcinoma of the prostate.,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,,Cycrimine,DB03877
854,854,854,"Miconazole is an azole antifungal with broad-spectrum activity used to treat fungal infections affecting the vagina, mouth and skin, including candidiasis.",ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,Myxothiazol,DB07995
855,855,855,A sulfhydryl reagent that is widely used in experimental biochemical studies. [PubChem],CCN1C(=O)C=CC1=O,,Adinazolam,DB06655
856,856,856,Not Available,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1,,Estriol tripropionate,DB02678
857,857,857,Not Available,N[C@@H](CCC\N=C(/N)N[C@H](CC(O)=O)C(O)=O)C(O)=O,,CEP-1347,DB11603
858,858,858,Not Available,[H][C@](N)(CC(=O)N1CCCNC(=O)[C@@]1([H])C)CC1=C(F)C=C(F)C(F)=C1,,Clofibrate,DB08743
859,859,859,Not Available,ClC1=CC=C(CN2CCS\C2=N/C#N)C=N1,,Pivmecillinam,DB08293
860,860,860,Roxadustat is a hypoxia-inducible factor (HIF) prolyl hydroxylase inhibitor used to treat symptomatic anemia associated with chronic kidney disease.,CC1=NC(C(=O)NCC(O)=O)=C(O)C2=C1C=C(OC1=CC=CC=C1)C=C2,,"3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE",DB03370
861,861,861,Not Available,CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1,,"[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL",DB07217
862,862,862,Not Available,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O1,,Siponimod,DB07086
863,863,863,Not Available,NCC1=CC2=C(OCC22CCN(CC2)C(=O)\C=C\C2=CC=CC=C2)C=C1,,Enmetazobactam,DB12670
864,864,864,Not Available,[H][C@]1(CC2=C(CN1C(=O)OCC1=CC=CC=C1)C=C(NS(O)(=O)=O)C=C2)C(=O)NC,,IMIDAZOPYRIDAZIN 1,DB03857
865,865,865,Not Available,NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2,,Paramethasone,DB03633
866,866,866,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(NCC2=NC3=C(NC2)NC(=N)N=C3O)C=C1)C(O)=O,,Xylose-derived lactam oxime,DB03309
867,867,867,Not Available,NC1=CC(F)=CC(F)=C1,,CRA_9785,DB05383
868,868,868,Disopyramide is a class 1A antiarrhythmic agent used to treat life-threatening ventricular arrhythmias.,CC(C)N(CCC(C(N)=O)(C1=CC=CC=C1)C1=NC=CC=C1)C(C)C,,Rutin,DB13951
869,869,869,"Palonosetron is a serotonin antagonist used in the prophylaxis or management of vomiting that results from emetogenic chemotherapy, and for the management of postoperative nausea and vomiting.",[H][C@]12CCCC3=C1C(=CC=C3)C(=O)N(C2)[C@@H]1CN2CCC1CC2,,Lymecycline,DB03144
870,870,870,Not Available,COC1=CC(=CC=C1)C1=CC(=CC=C1)[C@]1(C)CC(=O)N(C)C(N)=N1,,Entrectinib,DB04681
871,871,871,"Piclamilast (RP-73,401), is a selective PDE4 inhibitor comparable to other PDE4 inhibitors for its anti-inflammatory effects. It has been investigated for its applications to the treatment of conditions such as chronic obstructive pulmonary disease, bronchopulmonary dysplasia and asthma. The structure for piclamilast was first elucidated in a 1995 European patent application and exhibits the structural functionalities of cilomilast and roflumilast.",COC1=CC=C(C=C1OC1CCCC1)C(=O)NC1=C(Cl)C=NC=C1Cl,,"3,8,9,10-tetrahydroxy-7-hydroxymethyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",DB02817
872,872,872,"Dutogliptin has been investigated for the treatment of Diabetes Mellitus, Type II.",OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1,,N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide,DB03216
873,873,873,Not Available,CCOCCO,,Cocarboxylase,DB00223
874,874,874,Ketoconazole is a broad spectrum antifungal used to treat seborrheic dermatitis and fungal skin infections.,CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,,"1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid",DB08577
875,875,875,BL-1020 is a first in class novel compound for the treatment of schizophrenia. It is being developed by BioLineRx (BioLine).,,,Motuporin,DB08719
876,876,876,Not Available,NC1=NC(=O)C2=C(N1)N=CN2,,Andarine,DB03441
877,877,877,Gemifloxacin is a quinolone antibacterial agent used for the treatment of acute bacterial exacerbation of chronic bronchitis and mild to moderate community-acquired pneumonia caused by susceptible bacteria.,CO\N=C1/CN(CC1CN)C1=NC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,,Phenprocoumon,DB00046
878,878,878,Not Available,CCOP(O)(O)=O,,Phosphatidyl ethanol,DB01276
879,879,879,Not Available,CC(C)OC1=CC(NC(=O)C2=CC(Cl)=C(OCCN)C(Cl)=C2)=CC=C1,,"(3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DB16826
880,880,880,"Miltefosine is an antileishmanial agent used to treat leishmaniasis, a group of disease caused by parasites of the Leishmania type.",CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C,,"Hydroxy(oxo)(2-{(1S)-2,2,2-trifluoro-1-[2-(trimethylarsonio)ethoxy]ethyl}phenyl)ammonium",DB04810
881,881,881,Not Available,OP(O)(=O)OCCCCC1=C(Cl)NC(=O)NC1=O,,"2-Acetyl-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-(4,6,6-Trihydroxy-3,5-Dioxa-4,6-Diphosphahex-1-Yl)Thiazolium Inner Salt P,P'-Dioxide",DB11626
882,882,882,Metiamide is an H-2 receptor antagonist derived from burimamide. It was an intermediate product on the path to developing cimetidine.,CNC(=S)NCCSCC1=C(C)NC=N1,,N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide,DB04410
883,883,883,Protein C is a medication used to treat protein C deficiency leading to purpura fulminans or coumarin-induced skin necrosis.,,,NOX-700,DB01717
884,884,884,"Ibuprofen is an NSAID and non-selective COX inhibitor used to treat mild-moderate pain, fever, and inflammation.",CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,,P1-(5'-Adenosyl)P5-(5'-(3'azido-3'-Deoxythymidyl))Pentaphosphate,DB16707
885,885,885,"CYT007-TNFQb is an active immunization therapy that aims at
providing a novel treatment to people suffering from RA or psoriasis. The vaccine should allow for administration of low
amounts of drug to individual patients (in the microgram range) and for convenient dosing schedules.",,,Varespladib methyl,DB05879
886,886,886,Protamine sulfate is a blood factor used when the reversal of the anticoagulant effect of heparin is necessary and for the treatment of heparin overdose.,,,CholecalciferolCommonly known or available as Vitamin D3,DB02121
887,887,887,"Ephedra is an alpha and beta-adrenergic agonist used for the management of respiratory conditions related to bronchial asthma, such as wheezing, shortness of breath, and tightness of chest.",,,(S)-4-hydroxymandelonitrile,DB11081
888,888,888,"Ravulizumab is a monoclonal antibody used to treat paroxysmal nocturnal hemoglobinuria, atypical hemolytic uremic syndrome, and myasthenia gravis.",,XVQLVQSGAEVKKPGASVKVSCKASGHIFSNYWIQWVRQAPGQGLEWMGEILPGSGHTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVLHEALHSHYTQKSLSLSLG,ISIS 113715,DB03780
889,889,889,"Cefadroxil is a cephalosporin antibiotic used in the treatment of various bacterial infections, such as urinary tract infections, skin and skin structure infections, and tonsillitis.",[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O,,SLV319,DB04224
890,890,890,Prasterone is a steroid formulated as a vaginal insert indicated for the treatment of moderate to severe dyspareunia associated with menopausal vulvar and vaginal atrophy.,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C,,"(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol",DB04720
891,891,891,"ADL 10-0101 is a peripheral kappa opioid agonist analgesic product candidate. Preclinical trials of ADL 10-0101 have suggested that the compound may be effective for the treatment of inflammatory pain, itch and visceral pain. Because ADL 10-0101 does not cross the blood-brain barrier and enter the brain when administered at therapeutic doses, it is expected to avoid central nervous system side effects.",,,"N~3~-[5-(1H-INDOL-6-YL)-2-(PYRIDIN-2-YLMETHOXY)BENZYL]PYRIDINE-2,3-DIAMINE",DB11059
892,892,892,Not Available,NC(CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(OC4OC(CO)C(O)C(O)C4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O)CO\C(O)=N\CCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O,,TBC-3711,DB14562
893,893,893,Not Available,C1CN(CCO1)C1=C2N=CNC2=NC=N1,,Tl-3-093,DB08665
894,894,894,Gefitinib is a tyrosine kinase inhibitor used as first-line therapy to treat non-small cell lung carcinoma (NSCLC) that meets certain genetic mutation criteria.,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,,"N~3~-BENZYLPYRIDINE-2,3-DIAMINE",DB03696
895,895,895,"EpiCept NP-1 is a prescription topical analgesic cream designed to provide effective, long-term relief from the pain of peripheral neuropathies. Peripheral neuropathies are medical conditions caused by damage to the nerves in the peripheral nervous system. The peripheral nervous system includes nerves that run from the brain and spinal cord to the rest of the body. EpiCept NP-1 Cream is a patented formulation containing two FDA-approved drugs, amitriptyline (a widely-used antidepressant) and ketamine (an NMDA antagonist that is used as an anesthetic).",CC1=CC(=C(NCCCN)C=C1)[N+]([O-])=O,,"N-{4-[(Carboxymethyl)carbamoyl]benzoyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide",DB05204
896,896,896,Daridorexant is a dual orexin receptor antagonist used to treat insomnia in adults.,COC1=CC(C(=O)N2CCC[C@@]2(C)C2=NC3=C(N2)C=CC(Cl)=C3C)=C(C=C1)N1N=CC=N1,,4-Nitrophenyl Phosphate,DB03833
897,897,897,"Resveratrol (3,5,4'-trihydroxystilbene) is a polyphenolic phytoalexin. It is a stilbenoid, a derivate of stilbene, and is produced in plants with the help of the enzyme stilbene synthase. It exists as cis-(Z) and trans-(E) isomers. The trans- form can undergo isomerisation to the cis- form when heated or exposed to ultraviolet irradiation. In a 2004 issue of Science, Dr. Sinclair of Harvard University said resveratrol is not an easy molecule to protect from oxidation. It has been claimed that it is readily degraded by exposure to light, heat, and oxygen. However, studies find that Trans-resveratrol undergoes negligible oxidation in normal atmosphere at room temperature.",OC1=CC=C(\C=C\C2=CC(O)=CC(O)=C2)C=C1,,"2,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-C]ISOQUINOLIN-6-IUM",DB12189
898,898,898,Not Available,CC1=C(N)C=CC=C1F,,XEN-2174,DB01183
899,899,899,Not Available,[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)C(=O)NCC2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE,DB03799
900,900,900,Not Available,[H][C@]1(CCO[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)CO1,,Nilotinib,DB13867
901,901,901,"NCX 950, beta2-adrenoceptor agonists is widely used in the treatment of pulmonary diseases.",,,Triprolidine,DB06217
902,902,902,Not Available,[H][C@]1(COP(O)(=O)CP(O)(=O)O[P@](O)(=S)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Anisomycin,DB06726
903,903,903,Not Available,CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=C[C@@](N)(O)NC1=O)C(N)=N,,"N,N,N-Trimethyl-2-(phosphonooxy)ethanaminium",DB14509
904,904,904,"Keyhole limpet hemocyanin is an immune modulator, given as a vaccine to help the body respond to cancer. A natural protein isolated from the marine mollusc keyhole limpet. Keyhole limpet hemocyanin is an immunogenic carrier protein that, in vivo, increases antigenic immune responses to haptens and other weak antigens such as idiotype proteins.",,,Prednisone,DB15718
905,905,905,Noscapine is a non-sedating isoquinoline alkaloid used primarily for its antitussive properties.,[H][C@@]1(OC(=O)C2=C1C=CC(OC)=C2OC)[C@]1([H])N(C)CCC2=CC3=C(OCO3)C(OC)=C12,,Ganaxolone,DB04450
906,906,906,Astodrimer has been used in trials studying the treatment and prevention of Bacterial Vaginosis. It is a lysine-based dendrimer with naphthalene disulfonic acid surface groups.,,,Warfarin,DB02907
907,907,907,Calcium Phosphate is a compound used in supplements and antacids.,[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O,,"Nalpha-(2-Naphthylsulfonylglycyl)-3-Amidino-D,L-Phenylalanine-Isopropylester",DB08870
908,908,908,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CO,,S-Methylcysteine,DB01435
909,909,909,Not Available,CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC,,Tilsotolimod,DB01756
910,910,910,Cetuximab is an endothelial growth factor receptor binding fragment used to treat colorectal cancer as well as squamous cell carcinoma of the head and neck.,,QVQLKQSGPGLVQPSQSLSITCTVSGFSLTNYGVHWVRQSPGKGLEWLGVIWSGGNTDYNTPFTSRLSINKDNSKSQVFFKMNSLQSNDTAIYYCARALTYYDYEFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Ritlecitinib,DB07497
911,911,911,"Dalfopristin is an antibiotic used with quinupristin to treat severe or life-threatening infections of vancomycin-resistant Enterococcus faecium (VREF), and skin infections caused by methicillin susceptible staphylococcus aureus or streptococcus pyogenes.",CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@H](C(C)C)[C@H](C)\C=C\C(=O)NC\C=C\C(\C)=C\[C@@H](O)CC(=O)CC1=NC(=CO1)C2=O,,Oleandrin,DB07978
912,912,912,Paricalcitol is a vitamin D analog used to treat hyperparathyroidism associated with stage 3 or greater chronic kidney disease.,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)\C=C\[C@H](C)C(C)(C)O,,Indinavir,DB08052
913,913,913,Not Available,C(CCCCNC1=C2CCCCC2=NC2=CC=CC=C12)CCCNC1=CC=NC2=CC=CC=C12,,Allyl-{6-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-Hexyl-}-Methyl-Amin,DB06266
914,914,914,"A barbiturate that is metabolized to phenobarbital. It has been used for similar purposes, especially in epilepsy, but there is no evidence mephobarbital offers any advantage over phenobarbital.",CCC1(C(=O)NC(=O)N(C)C1=O)C1=CC=CC=C1,,Rosuvastatin,DB03605
915,915,915,"Abatacept is a disease-modifying antirheumatic drug (DMARD) used in the management of rheumatic conditions, such as rheumatoid or psoriatic arthritis, and for the prophylaxis of acute graft-versus-host disease.",,MHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDSDQEPKSSDKTHTSPPSPAPELLGGSSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,ADX10059,DB07675
916,916,916,"The principal sterol of all higher animals, distributed in body tissues, especially the brain and spinal cord, and in animal fats and oils.",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,,Cefoperazone,DB00068
917,917,917,Not Available,CC(C)C1=C(O)C=CC(CC2=C(C)C=C(OCC(O)=O)C=C2C)=C1,,Capecitabine,DB03434
918,918,918,Not Available,[H][C@](N)(CC(=O)N1CCC[C@@]1([H])CNC(=O)C1=CC=CC=C1)CC1=C(F)C=CC=C1,,CYT006-AngQb,DB02551
919,919,919,Pheniramine is an antihistamine used to treat allergic rhinitis and pruritus.,CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1,,[3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-]-Phosphonic Acid,DB00471
920,920,920,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])OS(O)(=O)=O,,Sumanirole,DB00419
921,921,921,"Cefotetan is an antibiotic medication used for the prophylaxis and treatment of various bacterial infections, including urinary tract infections, bone and joint infection, and lower respiratory tract infections.",[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC)C(O)=O,,Dipraglurant,DB04397
922,922,922,Nalmefene is an opioid antagonist used to reduce alcohol consumption in adults with alcohol dependence and treat and prevent opioid overdose.,OC1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](OC1=C24)C(=C)CC[C@@]35O,,"5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one",DB03830
923,923,923,Adefovir dipivoxil is a nucleotide analog used to treat chronic hepatitis B.,CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C,,Molsidomine,DB08688
924,924,924,Not Available,O=C1NC2=C(NN=N2)C(=O)N1,,"2,6-Anhydro-3-Deoxy-D-Erythro-Hex-2-Enonic Acid",DB07801
925,925,925,SR-123781A is a synthetic hexadecasaccharide Factor IIa and Xa antagonist. It is under investigation by Sanofi-Aventis and Organon for the treatment of thrombosis and acute coronary syndromes (ACS).,,,Florbetapir F-18,DB02355
926,926,926,Not Available,OC(=O)C1=CC=C(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)C=C1,,Roxithromycin,DB06716
927,927,927,Not Available,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OS(O)(=O)=O,,Peginesatide,DB12005
928,928,928,Not Available,[H][C@](N)(CC1=CC=CC=C1)C(=O)CCl,,Primaquine,DB08025
929,929,929,Not Available,[H]N([H])C1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)CO)[C@@H](O)[C@H]1O,,"6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine",DB00118
930,930,930,"Digitoxin is a cardiac glycoside used in the treatment and management of congestive cardiac insufficiency, arrhythmias and heart failure.",[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,,Neihulizumab,DB08762
931,931,931,Not Available,[NH3+][C@H](C=C)C([O-])=O,,Bacteriochlorophyll A,DB08996
932,932,932,Not Available,ONC(=O)CP(O)(O)=O,,2-Decenoyl N-acetyl cysteamine,DB04591
933,933,933,Tipiracil is a thymidine phosphorylase inhibitor used as an adjunct treatment of adult patients with certain types of gastric or colorectal malignancies.,ClC1=C(CN2CCCC2=N)NC(=O)NC1=O,,Alizapride,DB00161
934,934,934,Not Available,NCC1=CC=CC=C1,,Pilocarpine,DB07124
935,935,935,Rimtuzalcap is a novel modulator of small-conductance calcium-activated potassium channels that is under investigation for the treatment of essential tremor.3,CC1=NN(C=C1)C1=NC(NC2CCC(F)(F)CC2)=CC(=N1)N1CCOCC1,,1-Amino-1-Carbonyl Pentane,DB04155
936,936,936,Not Available,COC1=CC(=O)C2=C(C(COC3=CC=CC=C3)=C(C)N2C)C1=O,,Choriogonadotropin alfa,DB08593
937,937,937,Not Available,[H][C@](C)(C1=CC=CN1)C1=C2C=C(O)C=CC2=NC1=O,,Fexofenadine,DB12018
938,938,938,Nesbuvir has been investigated for the treatment of Hepatitis C.,CNC(=O)C1=C(OC2=CC(N(CCO)S(C)(=O)=O)=C(C=C12)C1CC1)C1=CC=C(F)C=C1,,Pirtobrutinib,DB08382
939,939,939,"Cefpodoxime is a third-generation cephalosporin antibiotic used in the treatment of various bacterial infections, including gonorrhea, community acquired pneumonia, and sinusitis.",[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,"7,8-Dihydroneopterin",DB04460
940,940,940,Dicyclomine is an antimuscarinic agent used to treat IBS.,CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1,,WAY-151693,DB06841
941,941,941,Not Available,C(CN1CCCCC1)OC1=CC=C(C=C1)C1=CN2N=CC(=C2N=C1)C1=CC=NC=C1,,Sulbactam,DB11963
942,942,942,Riluzole is a glutamate antagonist used to treat amyotrophic lateral sclerosis.,NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2,,Ramelteon,DB04564
943,943,943,"Cemiplimab is a programmed death receptor-1 blocking antibody used to treat cutaneous squamous cell carcinoma, basal cell carcinoma, and non-small cell lung cancer.",,EVQLLESGGVLVQPGGSLRLSCAASGFTFSNFGMTWVRQAPGKGLEWVSGISGGGRDTYFADSVKGRFTISRDNSKNTLYLQMNSLKGEDTAVYYCVKWGNIYFDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate,DB02542
944,944,944,"ROX-888 is ROXRO's lead compound which is currently in Phase 3 trials for the treatment of acute pain, including post-operative pain.",,,Drotrecogin alfa,DB03737
945,945,945,"Nintedanib is a triple angiokinase inhibitor indicated for the treatment of idiopathic pulmonary fibrosis, systemic sclerosis-associated interstitial lung disease, and in combination with docetaxel for non-small cell lung cancer.",COC(=O)C1=CC=C2C(NC(=O)\C2=C(/NC2=CC=C(C=C2)N(C)C(=O)CN2CCN(C)CC2)C2=CC=CC=C2)=C1,,Cyclohexylformamide,DB12513
946,946,946,Not Available,BrC1=NNC2=C1C=CC=C2N(=O)=O,,Trichlormethiazide,DB00546
947,947,947,Not Available,[H]N([H])C1=NC(=CS1)C(=N\OC)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O,,Polyestradiol phosphate,DB07509
948,948,948,"Nadolol is a non-selective beta-adrenergic antagonist used for the management of arrhythmias, angina pectoris, and hypertension.",CC(C)(C)NCC(O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2,,Amlexanox,DB06495
949,949,949,Tepotinib is an oral tyrosine kinase inhibitor targeted against MET for the treatment of metastatic non-small cell lung cancer in patients exhibiting MET exon 14 skipping mutations.,CN1CCC(COC2=CN=C(N=C2)C2=CC(CN3N=C(C=CC3=O)C3=CC(=CC=C3)C#N)=CC=C2)CC1,,4-(Acetylamino)-3-Amino Benzoic Acid,DB07950
950,950,950,"Bretylium is a norepinephrine release inhibitor used for the prophylaxis and therapy of ventricular fibrillation, as well as the treatment of life-threatening ventricular arrhythmias.",CC[N+](C)(C)CC1=CC=CC=C1Br,,"Inositol 1,3-Bisphosphate",DB01871
951,951,951,Not Available,NC(=O)NC(NC(N)=O)C([O-])=O,,Leflunomide,DB07844
952,952,952,An arsenical which has been used as a feed additive for enteric conditions in pigs and poultry. It causes blindness and is ototoxic and nephrotoxic in animals. [PubChem],NC1=CC=C(C=C1)[As](O)(O)=O,,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE",DB05010
953,953,953,Not Available,CCCCC[C@@H](C\C=C\C(=O)SCCNC(=O)CCN[C@H](O)C(=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)[N+]1=CNC2=C(N)N=CN=C12)SCC=O,,Etiprednol dicloacetate,DB01155
954,954,954,Rilpivirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with other antiretrovirals to specifically treat human immunodeficiency virus type 1 (HIV-1).,CC1=CC(\C=C\C#N)=CC(C)=C1NC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1,,Doramapimod,DB00760
955,955,955,"Dexloxiglumide is a selective cholecystokinin type A (CCKA) receptor antagonist in phase III testing by Rottapharm in Europe only, as U.S. trials have been discontinued. As the D-isomer of loxiglumide, it retains all pharmacological properties of loxiglumide but is more potent.",CCCCCN(CCCOC)C(=O)[C@@H](CCC(O)=O)NC(=O)C1=CC(Cl)=C(Cl)C=C1,,ANZ-100,DB00166
956,956,956,Not Available,NC1=NC2=CC3=C(NC(NCC4=CC=CS4)=N3)C=C2C(=O)N1,,AEG35156,DB00086
957,957,957,"Fluocinolone acetonide is a corticosteroid used to treat skin conditions, eczematous otitis externa, diabetic macular edema, and non-infectious uveitis of the posterior segment of the eye.",[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)CO,,Pyridoxamine-5'-Phosphate,DB05103
958,958,958,Not Available,[H][C@@](CCC)(C(O)=O)C1=CNC2=CC=CC=C12,,"2-Amino-4-(4-Amino-Cyclohexa-2,5-Dienyl)-Butyric Acid",DB07348
959,959,959,Not Available,CC(=N)N1CCC(CC1)OC1=CC=C2C(=C1)N(CC1=CC=C3C=CC(=CC3=C1)C(N)=N)C1=C2C=CC=C1,,"Estrane-3,17-dione",DB04573
960,960,960,"Betamethasone is a systemic corticosteroid used to relieve inflammation in various conditions, including but not limited to allergic states, dermatologic disorders, gastrointestinal diseases, and hematological disorders.",[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,2-methyl-5-methylidenepyrimidin-4-imine,DB05229
961,961,961,Not Available,[H][C@](N)(CCCN[P@@](N)(=O)NS(O)(=O)=O)C(O)=O,,Atibuclimab,DB16514
962,962,962,"Linaclotide is a guanylate cyclase-C agonist used to treat different types of constipation, such as irritable bowel syndrome-related constipation, idiopathic constipation, and functional constipation.",[H][C@]1(CSSC[C@]2([H])NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N3)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,,FLX475,DB00414
963,963,963,Not Available,[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)[C@]([H])(C(=O)OC)C2=C(O)C3=C(C(O)=C12)C(=O)C1=C(C=CC=C1OC)C3=O,,"N,O6-Disulfo-Glucosamine",DB07247
964,964,964,Lumasiran is lumasiran is an interfering RNA that silences hydroxyacid oxidase 1 for the treatment of primary hypoxaluria type 1.,,,N-methyl-1-(2-thiophen-2-ylphenyl)methanamine,DB04338
965,965,965,Ponesimod is a sphingosine 1-phosphate receptor modulator indicated to treat relapsing multiple sclerosis.,CCC\N=C1/S\C(=C/C2=CC=C(OC[C@H](O)CO)C(Cl)=C2)C(=O)N1C1=CC=CC=C1C,,GW-813893,DB02239
966,966,966,Not Available,NC1=NC(=O)C(Br)=C(N1)C1=CC=CC=C1,,Triglu-5-formyl-tetrahydrofolate,DB00544
967,967,967,"Almonertinib is a third-generation EGFR tyrosine kinase inhibitor targeting EGFR-sensitizing and T790M resistance mutations.1,2,3 It is being investigated against advanced or metastatic EGFR-mutated non-small cell lung cancer (NSCLC).3",COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC(=CC=N1)C1=CN(C2CC2)C2=C1C=CC=C2,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID,DB09460
968,968,968,"HY10275 is a novel compound specifically designed to modulate two key neurobiological mechanisms that interfere with the sleeping process. HY10275 is highly selective for histamine H1 and serotonin 5HT2a, two chemical receptors that are known to impact the ability to fall asleep and stay asleep. HY10275 was rationally designed to ""let you sleep"" rather than depress the entire brain to ""make you sleep."" This dual-acting receptor activity and the lack of affinity for undesired off- target receptors are thought to account for the compounds excellent efficacy and tolerability profile.",,,"1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine",DB00997
969,969,969,Not Available,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O,,Tezosentan,DB02576
970,970,970,Pirbuterol is a beta-2 adrenergic agonist and bronchodilator used for the symptomatic treatment of asthma.,CC(C)(C)NCC(O)C1=NC(CO)=C(O)C=C1,,MK-0668,DB00645
971,971,971,Dexelvucitabine has been used in trials studying the treatment of HIV Infections and Human Immunodeficiency Virus.,NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](CO)C=C1,,"2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL",DB03964
972,972,972,Not Available,[H]C(=O)N1CCCCC1,,5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile,DB08023
973,973,973,Not Available,O=C(N1CCCCC1)C1=CC2=C(C=C1)N=CC=N2,,Phenylephrine,DB08459
974,974,974,Zileuton is a leukotriene synthesis inhibitor used in the prophylaxis and treatment of chronic asthma.,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1,,"8-Benzo[1,3]Dioxol-,5-Ylmethyl-9-Butyl-2-Fluoro-9h-Purin-6-Ylamine",DB07903
975,975,975,Not Available,COC1=CC=CC=C1C1=CC2=C(C3=C(C=CC(O)=C3)N2CCCO)C2=C1C(=O)NC2=O,,"N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE",DB00508
976,976,976,Spesolimab is an interleukin-36 receptor antagonist used to treat generalized pustular psoriasis flares in adults.,,,3-Hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate,DB00891
977,977,977,Rozrolimupab is a recombinant polyclonal antibody consisting of 25 different anti-Rhesus D (RhD) antibodies to replace existing anti-RhD hyperimmune immunoglobulins for the treatment of Idiopathic Thrombocytopenic Purpura (ITP) and the prevention of Hemolytic Disease of Newborns (HDN).,,,Aceprometazine,DB03649
978,978,978,"SP1049C is a novel anthracycline chemotherapeutic agent containing doxorubicin and two nonionic pluronic block copolymers.2 It is designed to overcome drug resistance in a number of cancers. It has successfully completed Phase 1 trials. Phase 2 results are currently under final review. Preliminary data, in its first clinically tested indication, shows that SP1049C is active in Stage IV non-resectable adenocarcinoma of the esophagus. Median survival is encouraging and correlates strongly with dose levels.2",,,Nalmefene,DB00232
979,979,979,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(CC#C)CC1=CC=C2NC(N)=NC(=O)C2=C1)C(O)=O,,Ulixertinib,DB07492
980,980,980,Not Available,CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O,,Sulfanilamide,DB11699
981,981,981,Not Available,COC1=CC(CN(C)C2=CC3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,,"4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide",DB00287
982,982,982,Not Available,OC(=O)C1=C(CCC1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC=CC(OC(F)(F)F)=C1,,Amisulpride,DB08151
983,983,983,Not Available,OC1=CC(O)=C(C=C1)C1=NN(CC=C)C2=C1C=CC=C2C(F)(F)F,,Linagliptin,DB03170
984,984,984,Not Available,CC(C)[C@H](NC(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC1=NC=CC=C1)C(=O)NCC1=CC=CC=N1,,Adenylyl-(3'-5')-uridine 3'-monophosphate,DB04735
985,985,985,An indolocarbazole that is a potent protein kinase C inhibitor which enhances cAMP-mediated responses in human neuroblastoma cells. (Biochem Biophys Res Commun 1995;214(3):1114-20),[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC,,Megestrol acetate,DB04023
986,986,986,Not Available,OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O,,Bupranolol,DB05968
987,987,987,"VX-765 is the orally available prodrug of a potent and selective competitive inhibitor of ICE/caspase-1 (VRT-043198). VX-765 is currently under clinical development for the treatment of inflammatory and autoimmune conditions, as it blocks the hypersensitive response to an inflammatory stimulus.",,,SR12813,DB07241
988,988,988,Not Available,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C)C=N2)N=C(N=C1OCCO)C1=CC=NC(=C1)C1=NN=NN1,,2-carboxypropyl-coenzyme A,DB03085
989,989,989,Not Available,ON(CC(O)=O)C(O)=O,,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE",DB03163
990,990,990,Not Available,CCC[N+]#[C-],,N-Formylmethionine,DB11455
991,991,991,Idecabtagene vicleucel is an autologous T-cell therapy indicated to treat relapsed or refractory multiple myeloma.,,,Hyaluronidase,DB01816
992,992,992,"Pravastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and to reduce the risk of cardiovascular events, including myocardial infarction and stroke.",[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,,Esomeprazole,DB04114
993,993,993,Glutazumab is a novel long-lasting GLP-1/anti-GLP-1R antibody fusion protein exerting anti-diabetic effects.1,,,"(2S,5R,6R)-6-({(6S)-6-[(Ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate",DB06481
994,994,994,Not Available,NS(=O)(=O)C1=NN=C(S1)C1=CC=CC=C1Cl,,[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID,DB13061
995,995,995,Not Available,ClC1=CC(=CC=C1)C1=CNN=C1C1=CNC(=C1)C(=O)NCC1=CC=CC=C1,,Magnesium acetate,DB11830
996,996,996,Bebtelovimab is a human IgG1κ monoclonal antibody targeted against the spike protein of SARS-CoV-2 which is used in the treatment of mild-to-moderate COVID-19.,,QITLKESGPTLVKPTQTLTLTCTFSGFSLSISGVGVGWLRQPPGKALEWLALIYWDDDKRYSPSLKSRLTISKDTSKNQVVLKMTNIDPVDTATYYCAHHSISTIFDHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Erdafitinib,DB14526
997,997,997,"Vibegron is a beta-3 adrenergic agonist the treatment of overactive bladder (OAB) with symptoms of urge urinary incontinence, urgency, and urinary frequency in adults.",[H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C1=CC=CC=C1,,"4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",DB04095
998,998,998,Bambuterol is a long acting beta2-adrenoceptor agonist for the management of lung diseases associated with bronchospasm.,CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C,,Dihydrexidine,DB08560
999,999,999,Butamben is anesthesia of mucus membranes other than the eyes.,CCCCOC(=O)C1=CC=C(N)C=C1,,Ritodrine,DB03389
1000,1000,1000,Enfuvirtide is an HIV-1 gp41 fusion inhibitor used in patients experiencing HIV-1 replication who are already being treated with other anti-retrovirals.,,YTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWF,AL7089A,DB08346
1001,1001,1001,"Clonazepam is a long-acting benzodiazepine with intermediate onset commonly used to treat panic disorders, severe anxiety, and seizures.",[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,,Chymopapain,DB11921
1002,1002,1002,Not Available,[H][C@](O)(C[C@]([H])(N)C(O)=O)SC[C@]([H])(N)C(O)=O,,Biricodar,DB08162
1003,1003,1003,Not Available,[H][C@@](CCCC)(NC(=O)OC1(CC2=CC=CC=C2)CCCC1)C=O,,(Rp)-cAMPS,DB01891
1004,1004,1004,Not Available,COC1=CC=C2C=[N+](CCCCCCCCN3C(=O)C4=C(C=CC=C4)C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24,,N-(3-Phenyl-2-Sulfanylpropanoyl)Phenylalanylalanine,DB01166
1005,1005,1005,Not Available,[H][C@@]1(C[C@]([H])(N=[N+]=[N-])[C@@]([H])(COP([O-])(=O)OP([O-])(=O)OP(O)(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O1)N1C=C(C)C([O-])=NC1=O,,Dabigatran etexilate,DB03602
1006,1006,1006,Not Available,CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2,,Estradiol cypionate,DB03652
1007,1007,1007,Olmesartan is an angiotensin receptor blocker (ARB) used in the treatment of hypertension.,CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(O)=O)C(C)(C)O,,Alpha-1-proteinase inhibitor,DB09331
1008,1008,1008,Not Available,[H][C@@]1(C(C)C)N(CC2=CC=CC=C2)C(=O)C(=C1O)C1=NS(=O)(=O)C2=C1C=CC=C2,,"Hexane-1,6-Diol",DB03864
1009,1009,1009,"Chlorpromazine is a phenothiazine antipsychotic used to treat nausea, vomiting, preoperative anxiety, schizophrenia, bipolar disorder, and severe behavioral problems in children.",CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(Cl)C=C2,,Fructose,DB07605
1010,1010,1010,Telaprevir is an NS3/4A viral protease inhibitor used in combination with other antivirals for the curative treatment of chronic Hepatitis C Virus infections.,[H][C@@]12CCC[C@]1([H])[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1=NC=CN=C1)C1CCCCC1)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)C(=O)NC1CC1,,7-Nitroindazole-2-Carboxamidine,DB08706
1011,1011,1011,Not Available,CCCCCCCCOCCOCCOCCOCCO,,"(2R)-2-[(1R)-1-{[(2S)-2-Carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid",DB00919
1012,1012,1012,"Piperacillin is a penicillin antibiotic combined with tazobactam to treat piperacillin-resistant, piperacillin/tazobactam­ susceptible, β-lactamase generating strains of several bacteria.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O,,OTX-008,DB04703
1013,1013,1013,Dinitrochlorobenzene has been used in trials studying the treatment of HIV Infections.,ClC1=C(C=C(C=C1)N(=O)=O)N(=O)=O,,"2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE",DB02664
1014,1014,1014,Not Available,[H]N(CC1=CC=CC2=CC=CC=C12)C1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N([H])C(=O)C3=CC(OC)=CC(OC)=C3)C2=NC=N1,,Alpha-Methylisocitric Acid,DB00140
1015,1015,1015,Not Available,[H][C@@](CO)(CC1=CC=CC=C1)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1)C(C)C,,Dasatinib,DB08609
1016,1016,1016,Cefmenoxime is a novel broad-spectrum and third-generation cephalosporin antibiotic that is typically used in the treatment of female gynecologic and obstetric infections. It is reported to exhibit high activity against a wide variety of gram-positive and gram-negative bacteria.,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,Carboxylic PRPP,DB00688
1017,1017,1017,Not Available,NC1=CC(N)=C2C(=O)NNC(=O)C2=C1,,"(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE",DB08194
1018,1018,1018,Urea C-13 is a diagnostic agent used for the detection of urease associated with Helicobacter pylori in the human stomach and initial diagnosis or post-treatment monitoring of Helicobacter pylori infection in adults.,N[13C](N)=O,,Bardoxolone methyl,DB02418
1019,1019,1019,Bortezomib is a proteasome inhibitor used to treat multiple myeloma in patients who have not been successfully treated with at least two previous therapies.,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O,,Veglin,DB03987
1020,1020,1020,Alectinib is a kinase inhibitor used to treat anaplastic lymphoma kinase positive metastatic non small cell lung cancer.,CCC1=CC2=C(C=C1N1CCC(CC1)N1CCOCC1)C(C)(C)C1=C(C3=CC=C(C=C3N1)C#N)C2=O,,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenethyl)guanidine",DB07871
1021,1021,1021,"Debate continues over the nature and causes of chronic flashbacks. Explanations in terms of LSD physically remaining in the body for months or years after consumption have been discounted by experimental evidence. Some say HPPD is a manifestation of post-traumatic stress disorder, not related to the direct action of LSD on brain chemistry, and varies according to the susceptibility of the individual to the disorder. Many emotionally intense experiences can lead to flashbacks when a person is reminded acutely of the original experience. However, not all published case reports of chronic flashbacks appear to describe an anxious hyper-vigilant state reminiscent of post-traumatic stress disorder.",[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N(CC)CC,,Norleucine Phosphonate,DB07423
1022,1022,1022,"Caffeine is a stimulant present in tea, coffee, cola beverages, analgesic drugs, and agents used to increase alertness. It is also used in to prevent and treat pulmonary complications of premature birth.",CN1C=NC2=C1C(=O)N(C)C(=O)N2C,,"(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE",DB07845
1023,1023,1023,Not Available,CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1,,"(20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE",DB12301
1024,1024,1024,Not Available,[H][C@@](C)(N)[C@@]([H])(CCCCCC(O)=O)CC(O)=O,,Propyl Gallate,DB15796
1025,1025,1025,Lacosamide is an antiepileptic drug used to treat partial-onset seizures and primary generalized tonic-clonic seizures.,COC[C@@H](NC(C)=O)C(=O)NCC1=CC=CC=C1,,L-BENZYLSUCCINIC ACID,DB08818
1026,1026,1026,Not Available,[H][C@@]1(O[C@]2(C[C@@H](O)[C@H](C)[C@H](C\C=C\C3=COC(=N3)[C@@H](C)CCNC(=O)[C@@H](O)[C@@H](O)[C@H](COC)N(C)C)O2)C(C)(C)[C@H]1OP(O)(O)=O)[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC,,Anifrolumab,DB00478
1027,1027,1027,Not Available,ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1,,"N-[(2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl]-2-propylpentanamide",DB08932
1028,1028,1028,Not Available,CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)N(CC(O)=O)CC1=CC=C(OP(O)(O)=O)C=C1,,Basifungin,DB04747
1029,1029,1029,"Oxtriphylline is a bronchodilator used for the treatment of asthma, bronchitis, COPD, and emphysema.",C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O,,Huperzine A,DB00624
1030,1030,1030,Not Available,[H][C@]12SC[C@@H](COC(C)=O)[C@H](N1C(=O)[C@H]2\N=C(/[O-])CCCC[C@H](NC(=O)CN)C(O)=O)C(O)=O,,Peldesine,DB06194
1031,1031,1031,Not Available,[H]N([C@@H](CC1=CC(I)=C(O)C(I)=C1)C(=O)N([H])[C@H]([C@@H](C)O)C(O)=O)C(C)=O,,"2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE",DB03026
1032,1032,1032,Not Available,NC1=CC=CC=C1C(O)=O,,"2,3-Didehydroalanine",DB13857
1033,1033,1033,Tyrothricin is a topical antibiotic with broad spectrum activity against Gram positive bacteria and some fungal infections.,,,TG4010,DB07154
1034,1034,1034,Not Available,N1C=NC=N1,,"2',5'-Dideoxyuridine",DB00285
1035,1035,1035,Not Available,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(O)=O,,Pinazepam,DB08421
1036,1036,1036,"Resiniferatoxin (RTX) is a naturally occurring, ultrapotent capsaicin analog that activates the vanilloid receptor in a subpopulation of primary afferent sensory neurons involved in nociception (the transmission of physiological pain).",[H][C@]12O[C@]3(CC4=CC=CC=C4)O[C@]1(C[C@@]([H])(C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)CC3=CC(OC)=C(O)C=C3)=C[C@@]21[H])C(C)=C,,Setmelanotide,DB04685
1037,1037,1037,Metipranolol is a beta-adrenergic antagonist used for the reduction of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.,CC(C)NCC(O)COC1=C(C)C(C)=C(OC(C)=O)C(C)=C1,,3-Methyladenine,DB07724
1038,1038,1038,Not Available,C[N+](CO)(CO)CO,,"1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA",DB04037
1039,1039,1039,Not Available,[H][C@]12CC=C(C)[C@]([H])(C1)[C@@]([H])(OC2(C)C)C1=CC=C(O)C=C1,,[1-(6-{6-[(1-methylethyl)amino]-1H-indazol-1-yl}pyrazin-2-yl)-1H-pyrrol-3-yl]acetic acid,DB07991
1040,1040,1040,Not Available,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)NC1(CCN(C)CC1)C#N,,Dimetindene,DB08490
1041,1041,1041,"A coenzyme composed of ribosylnicotinamide 5'-diphosphate coupled to adenosine 5'-phosphate by pyrophosphate linkage. It is found widely in nature and is involved in numerous enzymatic reactions in which it serves as an electron carrier by being alternately oxidized (NAD+) and reduced (NADH). (Dorland, 27th ed)",[H][C@]1(COP([O-])(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C(C)=O)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,[(1-{2[(4-Carbamimidoyl-Phenylamino)-Methyl]-1-Methyl-1h-Benzoimidazol-5-Yl}-Cyclopropyl)-Pyridin-2-Yl-Methyleneaminooxy]-Acetic Acid Ethyl Ester,DB00362
1042,1042,1042,,N[C@@H](COC(N)=O)CC1=CC=CC=C1,,"GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE",DB08462
1043,1043,1043,Not Available,N[C@@H](CC1=CC=C(C=C1)C(=O)C1=CC=CC=C1)C(O)=O,,"4-[(3AS,4R,7R,8AS,8BR)-2-(1,3-BENZODIOXOL-5-YLMETHYL)-7-HYDROXY-1,3-DIOXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZENECARBOXIMIDAMIDE",DB09285
1044,1044,1044,"Topotecan is an antineoplastic agent used to treat ovarian cancer, small cell lung cancer, or cervical cancer.",CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(O)=C4CN(C)C)N=C13)C2=O,,Kaempherol,DB04322
1045,1045,1045,Not Available,[H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Verpacamide A,DB14061
1046,1046,1046,Not Available,[H][C@@]12CCC(=O)[C@@]1(C)CCC(=O)[C@@]2([H])CCC1=C(O)C(O)=CC=C1C,,Gallamine triethiodide,DB07669
1047,1047,1047,Rozanolixizumab is a humanized monoclonal antibody targeting the human neonatal Fc receptor (FcRn) used to treat generalized myasthenia gravis.,,,5-aminonaphthalene-2-sulfonic acid,DB00730
1048,1048,1048,Not Available,[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C1=O,,Casopitant,DB02394
1049,1049,1049,"Desmoteplase is a chemical in the saliva of vampire bats. It activates plasminogen to the serine protease, plasmin. Plasmin acts by breaking down fibrin blood clots. When a vampire bat bites its victim, it secretes an enzyme that prevents the blood from clotting. The enzyme is called DSPA (Desmodus rotundus salivary plasminogen activator) and scientists are using DSPA as stroke and heart attack medication. Desmoteplase is a recombinant form of vampire bat DSPA (Salivary plasminogen activator alpha 1).",,MVNTMKTKLLCVLLLCGAVFSLPRQETYRQLARGSRAYGVACKDEITQMTYRRQESWLRPEVRSKRVEHCQCDRGQARCHTVPVNSCSEPRCFNGGTCWQAVYFSDFVCQCPAGYTGKRCEVDTRATCYEGQGVTYRGTWSTAESRVECINWNSSLLTRRTYNGRMPDAFNLGLGNHNYCRNPNGAPKPWCYVIKAGKFTSESCSVPVCSKATCGLRKYKEPQLHSTGGLFTDITSHPWQAAIFAQNRRSSGERFLCGGILISSCWVLTAAHCFQESYLPDQLKVVLGRTYRVKPGEEEQTFKVKKYIVHKEFDDDTYNNDIALLQLKSDSPQCAQESDSVRAICLPEANLQLPDWTECELSGYGKHKSSSPFYSEQLKEGHVRLYPSSRCAPKFLFNKTVTNNMLCAGDTRSGEIYPNVHDACQGDSGGPLVCMNDNHMTLLGIISWGVGCGEKDVPGVYTKVTNYLGWIRDNMHL,7-(Carboxyamino)-8-Amino-Nonanoic Acid,DB03159
1050,1050,1050,Not Available,[H][C@@](C)(NC(=O)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)CC(=O)NO)C(=O)OCC,,Oxprenolol,DB02909
1051,1051,1051,"Montelukast is a leukotriene receptor antagonist used as part of an asthma therapy regimen, to prevent exercise induced bronchoconstriction, and to treat seasonal allergic rhinitis.",OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1,,Mibefradil,DB14013
1052,1052,1052,Not Available,O=C(NC1CCCC1)C(=O)NC1=NC=CS1,,Cephalosporin analog,DB05130
1053,1053,1053,Not Available,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2C=CN(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,,Adenosine phosphate,DB07045
1054,1054,1054,Not Available,[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)[C@@]1([H])NC(C(O)=O)=C(C)CS1,,Velusetrag,DB12471
1055,1055,1055,Not Available,NC[C@@H]1CCCN1,,"N1,N2-ETHYLENE-2-METHYLAMINO-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",DB04627
1056,1056,1056,Lormetazepam is a benzodiazepine indicated in the treatment of anxiety and the induction of anesthesia.,CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1Cl,,Deoxyamidinoproclavaminic acid,DB00187
1057,1057,1057,Not Available,[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1,,[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-2-METHYL-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER,DB09035
1058,1058,1058,Ferric maltol is a complexed iron supplement used to treat iron deficiency in adults.,[Fe+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,,KD7040,DB08007
1059,1059,1059,XL019 is a selective inhibitor of the cytoplasmic tyrosine kinase JAK2. An IND for XL019 was filed by Exelixis in May 2007.,,,"1,3-CYCLOHEXANEDIOL, 4-METHYLENE-5-[(2E)-[(1S,3AS,7AS)-OCTAHYDRO-1-(5-HYDROXY-5-METHYL-1,3-HEXADIYNYL)-7A-METHYL-4H-INDEN-4-YLIDENE]ETHYLIDENE]-, (1R,3S,5Z)",DB04147
1060,1060,1060,"Evolocumab is a PCSK9 (proprotein convertase subtilisin kexin type 9) inhibitor antibody used as an adjunct to LDL cholesterol reducing therapies, aiding in the prevention of cardiovascular events and cardiovascular revascularization procedures.",,,"2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE",DB08142
1061,1061,1061,Not Available,[H][C@@](CC)(CO)NC1=NN2C(C=C1)=NC=C2C1=CC=C(C=C1)C(O)=O,,Isothipendyl,DB08931
1062,1062,1062,Not Available,CC(=O)N[C@@H](CC1=CC(C=O)=C(C=C1)C(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,2-Hydroxy-5-({1-[(4-Methylphenoxy)Methyl]-3-Oxoprop-1-Enyl}Amino)-L-Tyrosine,DB14917
1063,1063,1063,Not Available,CCCCCCC(O)=O,,Etoposide,DB09053
1064,1064,1064,Not Available,OCCCCCCCCNCO,,Zileuton,DB17087
1065,1065,1065,Not Available,CC(C)CCO,,N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbimidothioic acid,DB03657
1066,1066,1066,Not Available,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-L-aspartic acid,DB02482
1067,1067,1067,Not Available,NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,5-(2-hydroxyethyl)-4-methylthiazole,DB01771
1068,1068,1068,Not Available,ClC1=CC(=CC(Cl)=C1)C1=C(C#N)[C@@]2(CC3=CC=C(C=C3)C#N)CCCN2C1=O,,2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-L-TYROSINE,DB03937
1069,1069,1069,Not Available,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC4=C(C=C3)C(C)=CC(=O)O4)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,,Phosphocreatine,DB03693
1070,1070,1070,Not Available,CCS\C(CC1=CC=CC=C1)=N/OS(O)(=O)=O,,"(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE",DB04594
1071,1071,1071,Not Available,CCOC(=O)NC(=N)C1=CC=C(OCC2=CC=CC(COC3=CC=C(C=C3)C(C)(C)C3=CC=C(O)C=C3)=C2)C=C1,,Ciluprevir,DB04059
1072,1072,1072,"Tretinoin is a vitamin A derivative used to treat acne vulgaris and certain types of promyelocytic leukemia, as well as various skin conditions in over-the-counter medications.",C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O,,Captopril,DB14530
1073,1073,1073,Not Available,CC1=C(C)C(=O)C(C)=C(C)C1=O,,"(4aS,6R,8aS)-11-[8-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)octyl]-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium",DB13940
1074,1074,1074,"Ormeloxifene is a selective estrogen receptor modulator used as a non-hormonal, non-steroidal oral contraceptive.",[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2,,HZT-501,DB08107
1075,1075,1075,Not Available,[H][C@@]1(CCC2=C1C=CC=C2)NCC#C,,Bilastine,DB08204
1076,1076,1076,Not Available,[H][C@@](O)(C(O)=O)C1=CC=C(O)C=C1,,Tolnaftate,DB07167
1077,1077,1077,Not Available,COC1=CC=C(C[C@@H](CN[C@@H](CCCN=C(N)N)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CS2)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCN=C(N)N)C=C1,,OPC-28326,DB11195
1078,1078,1078,Budigalimab is under investigation in clinical trial NCT04807972 (Study to Evaluate Adverse Events and Change in Disease Activity When Intravenous (IV) Infusion of ABBV-927 Is Administered in Combination With IV Modified FOLFIRINOX (Mffx) With or Without IV Budigalimab Compared to Mffx in Adult Participants With Untreated Pancreatic Cancer Metastasis).,,,"Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",DB04312
1079,1079,1079,Not Available,C=CC(=O)NC1=CC=C2N=CN=C(NC3=CC=CC=C3)C2=C1,,Ethylmercurithiosalicylic acid,DB08601
1080,1080,1080,Not Available,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=CC=C(C=C1)C#N)C=C2)C(O)=O,,Cefonicid,DB01666
1081,1081,1081,Not Available,[H][C@](CS)(CC1=CC=CC=C1)NC(=O)CC(O)=O,,Isatoribine,DB04741
1082,1082,1082,Nordazepam is a benzodiazepine indicated in the treatment of insomnia.,ClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1,,alpha-L-methyl-fucose,DB06168
1083,1083,1083,Potassium acetate is a medication used to treat hypokalemia.,[K+].CC([O-])=O,,Estriol,DB00520
1084,1084,1084,Not Available,[H]N([H])C(N([H])[H])=[N+]([H])CCCO,,Galiximab,DB04878
1085,1085,1085,Sargramostim is a modified form of recombinant human granulocyte-macrophage colony stimulating factor used to increase immune cell production after myelosuppressive therapy or bone marrow transplant.,,APARSPSPSTQPWEHVNAIQEALRLLNLSRDTAAEMNETVEVISEMFDLQEPTCLQTRLELYKQGLRGSLTKLKGPLTMMASHYKQHCPPTPETSCATQIITFESFKENLKDFLLVIPFDCWEPVQE,4-Deoxylactose,DB04709
1086,1086,1086,"Tenapanor is an NHE3 inhibitor indicated for the treatment of constipation-predominant irritable bowel syndrome (IBS-C) and chronic kidney disease,",CN1C[C@@H](C2=CC(=CC=C2)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C2=CC(=CC=C2)[C@@H]2CN(C)CC3=C2C=C(Cl)C=C3Cl)C2=C(C1)C(Cl)=CC(Cl)=C2,,2-METHYLTHIO-N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,DB07485
1087,1087,1087,Buprenorphine is a partial opioid agonist used for management of severe pain that is not responsive to alternative treatments. Also used for maintenance treatment of opioid addiction.,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1CC4=C5C(O[C@@H]2[C@@]35CCN1CC1CC1)=C(O)C=C4,,Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide,DB04938
1088,1088,1088,Not Available,NC1=NC2=C(C=C(N)C=C2CSC2=NC=CN2)C(=O)N1,,"(5E)-2-Amino-5-(2-pyridinylmethylene)-1,3-thiazol-4(5H)-one",DB03974
1089,1089,1089,"Arotinolol is an alpha- and beta-receptor blocker developed in Japan. It is a thiopropanolamine with a tertiary butyl moiety. It has been studied for its potential to be an antihypertensive therapy.6 Artinolol is being developed by Sumitomo Pharmaceutical Co., Ltd. and it is currently under clinical trials.10",CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O,,APD791,DB04817
1090,1090,1090,Not Available,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O,,(S)-DES-ME-AMPA,DB08249
1091,1091,1091,Not Available,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,,Cytidine 3'-monophosphate,DB01699
1092,1092,1092,Not Available,[H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1,,Rivenprost,DB02134
1093,1093,1093,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C=C(CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(O)=O)C(=O)C1=CC=C(O)C=C1,,Licofelone,DB07146
1094,1094,1094,Not Available,[H][C@@](CC1=CC=C(OCCN2C3=C(OC4=C2C=CC=C4)C=CC=C3)C=C1)(OCC)C(O)=O,,(S)-econazole,DB07477
1095,1095,1095,Not Available,NC1=NC2=CC3=C(C=C2C(=O)N1)N=C(NCC1=CC=CC2=CC=CC=C12)N3,,(S)-Fluoxetine,DB07741
1096,1096,1096,Carbenoxolone is a drug used to symptomatically treat lip sores and mouth ulcers.,[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)OC(=O)CCC(O)=O,,"8,9,10-Trihydroxy-7-hydroxymethyl-2-thioxo-6-oxa-1,3-diaza-spiro[4.5]decan-4-one",DB01694
1097,1097,1097,Not Available,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]1O,,N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE,DB03624
1098,1098,1098,Not Available,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O,,"4-O-(4,6-Dideoxy-4-{[4-[(4-O-Hexopyranosylhexopyranosyl)Oxy]-5,6-Dihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}Hexopyranosyl)Hexopyranose",DB00640
1099,1099,1099,Aluminum acetate is a medication used for temporary relief of skin irritation.,[Al+3].CC([O-])=O.CC([O-])=O.CC([O-])=O,,Tazarotene,DB02727
1100,1100,1100,Quinagolide is a dopamine D2 receptor agonist used for the treatment of hyperprolactinemia.,[H][C@]12C[C@@H](CN(CCC)[C@]1([H])CC1=CC=CC(O)=C1C2)NS(=O)(=O)N(CC)CC,,"6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB04607
1101,1101,1101,"Afimetoran is an immunomodulator and an antagonist of toll-like receptors 7 and 8.1,2 It is also is under investigation in clinical trial NCT04269356 (Study to Assess the Way the Body Absorbs, Distributes, Breaks Down and Eliminates Radioactive BMS-986256 in Healthy Male Participants).",CC(C)C1=C(NC2=CC=C(C=C12)C1CCN(CC(N)=O)CC1)C1=CN2N=CN=C2C(C)=C1C,,SC-74020,DB02967
1102,1102,1102,Not Available,NC1=NC2=C(NC(=O)N2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1,,Oxyphenbutazone,DB00734
1103,1103,1103,Not Available,[H]N([H])C(=O)[C@H](CC1=CN([H])C2=CC=CC=C12)N([H])C(=O)[C@H](CCCC1=CC=CC=C1)CP(O)(=O)[C@@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1,,Gossypol,DB05152
1104,1104,1104,Suvorexant is a orexin receptor antagonist used to treat insomnia that is characterized by difficulties with sleep onset and/or sleep maintenance.,[H][C@@]1(C)CCN(CCN1C(=O)C1=C(C=CC(C)=C1)N1N=CC=N1)C1=NC2=C(O1)C=CC(Cl)=C2,,Afimoxifene,DB12713
1105,1105,1105,Not Available,N[C@H](CO)CC1CCCCC1,,N-(1-adamantyl)-N'-(4-guanidinobenzyl)urea,DB15767
1106,1106,1106,Alfuzosin is an alpha-1 adrenergic antagonist used in the symptomatic management of benign prostatic hypertrophy (BPH).,COC1=CC2=C(C=C1OC)C(N)=NC(=N2)N(C)CCCNC(=O)C1CCCO1,,Lorpiprazole,DB01201
1107,1107,1107,Not Available,C[C@](O)(COC1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,,1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE,DB09235
1108,1108,1108,Bendroflumethiazide is a diuretic used to suppress lactation and to treat hypertension and edema.,NS(=O)(=O)C1=CC2=C(NC(CC3=CC=CC=C3)NS2(=O)=O)C=C1C(F)(F)F,,P-Cresol,DB03235
1109,1109,1109,Not Available,[H][C@](CCC1=CC(OC)=C(OC)C=C1)(OC(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(CC)C1=CC(OC)=C(OC)C(OC)=C1)C1=CC(OCC(O)=O)=CC=C1,,1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID,DB15665
1110,1110,1110,Not Available,CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,,2-Dehydropantoate,DB03450
1111,1111,1111,"Amrubicin is a third-generation synthetic anthracycline currently in development for the treatment of small cell lung cancer. Pharmion licensed the rights to Amrubicin in November 2006. In 2002, Amrubicin was approved and launched for sale in Japan based on Phase 2 efficacy data in both SCLC and NSCLC. Since January 2005, Amrubicin has been marketed by Nippon Kayaku, a Japanese pharmaceutical firm focused on oncology, which licensed Japanese marketing rights from Dainippon Sumitomo, the original developer of Amrubicin 13,15.",[H][C@@]1(C[C@@](N)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O)O[C@H]1C[C@H](O)[C@H](O)CO1,,8-Hydroxy-4-(1-Hydroxyethyl)Quinoline-2-Carboxylic Acid,DB04260
1112,1112,1112,Not Available,CC(=O)C1=[N+](CC2=CN=C(C)N=C2N)C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S1,,Benazepril,DB08048
1113,1113,1113,Not Available,[H][C@](N)(C[C@]([H])(O)O[C@]([H])(C)[C@]([H])(N)C(O)=O)C(O)=O,,[Methylseleno]Acetate,DB07680
1114,1114,1114,Not Available,CC1=NC(CCCN(O)C=O)=CC=C1,,9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine,DB00349
1115,1115,1115,Not Available,O[C@H]([C@@H](O)[C@@H](OCC1=C(F)C=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1F)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2,,(S)-blebbistatin,DB02236
1116,1116,1116,Seractide acetate is the acetate salt of full length human corticotropin.,,MPRSCCSRSGALLLALLLQASMEVRGWCLESSQCQDLTTESNLLECIRACKPDLSAETPMFPGNGDEQPLTENPRKYVMGHFRWDRFGRRNSSSSGSSGAGQKREDVSAGEDCGPLPEGGPEPRSDGAKPGPREGKRSYSMEHFRWGKPVGKKRRPVKVYPNGAEDESAEAFPLEFKRELTGQRLREGDGPDGPADDGAGAQADLEHSLLVAAEKKDEGPYRMEHFRWGSPPKDKRYGGFMTSEKSQTPLVTLFKNAIIKNAYKKGE,ORE-1001,DB07042
1117,1117,1117,Not Available,NC1=C(C=CC(Cl)=C1O)C(O)=O,,Lipegfilgrastim,DB05452
1118,1118,1118,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=C(C2=CC=C(Br)S2)C(=O)NC1=O,,4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide,DB07902
1119,1119,1119,Not Available,OC(=O)CNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,,K201 free base,DB07780
1120,1120,1120,Not Available,[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O,,Lacidipine,DB07798
1121,1121,1121,Not Available,[O-][N+](=O)C1=CC=C(C=C1)[C@@H]1CO1,,"6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID",DB03270
1122,1122,1122,Pioglitazone is a thiazolidinedione used adjunctively with diet and exercise to normalize glycemic levels in adults with type 2 diabetes mellitus.,CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1,,N-Carbamoylaspartic acid,DB01160
1123,1123,1123,Not Available,O\N=C(/N)N1CCC(CC1)CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)CC1=CC=CC=C1,,AVI-4557,DB02787
1124,1124,1124,Not Available,N[C@@H](CCSCCCCC(O)=O)C(O)=O,,Allopurinol,DB00332
1125,1125,1125,"ANA971, an orally administered prodrug of isatoribine. Isatoribine is a nucleoside analog in development for the treatment of chronic hepatitis C virus (HCV) infection. ANA971 is a prodrug designed to improve the oral bioavailability of isatoribine. ANA971 resulted in higher levels of isatoribine in the blood than were present after oral administration of isatoribine itself.",,,4-Amino-5-Hydroxymethyl-2-Methylpyrimidine,DB01396
1126,1126,1126,Not Available,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)C[C@@]([H])(C(C)C)C(O)=O,,Celecoxib,DB05495
1127,1127,1127,Tetrahydropalmatine is under investigation in clinical trial NCT02118610 (Treatment of Schizophrenia With L-tetrahydropalmatine (l-THP): a Novel Dopamine Antagonist With Anti-inflammatory and Antiprotozoal Activity).,COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC,,Clove oil,DB07347
1128,1128,1128,Not Available,[H][C@](CS)(CC(C)C)C(O)=O,,Phosphomethylphosphonic acid guanosyl ester,DB03747
1129,1129,1129,Not Available,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)NCCC(F)(F)F,,o-Bromophenol,DB02083
1130,1130,1130,Not Available,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],,Posaconazole,DB00070
1131,1131,1131,Not Available,OC(=O)C[C@H](NC(=O)CC1=CNC2=CC=CC=C12)C(O)=O,,Sargramostim,DB00170
1132,1132,1132,"Palifosfamide (ZIO-201) is a proprietary stabilized metabolite of ifosfamide. Ifosfamide has been shown to be effective in high doses in treating testicular cancer, sarcoma and lymphoma.",OP(=O)(NCCCl)NCCCl,,"2-[1-METHYLHEXYL]-4,6-DINITROPHENOL",DB06670
1133,1133,1133,Inebilizumab is a humanized anti-CD19 cytolytic monoclonal antibody for B-cell depletion in autoimmune conditions. Currently approved only for neuromyelitis optica spectrum disorder (NMOSD).,,,Dexketoprofen,DB01218
1134,1134,1134,"Fenfluramine is fenfluramine is a phenethylamine that is structurally similar to serotonin. Due to its ability to increase extracellular serotonin levels, modulate serotonergic and other neurologic receptors, and control neurotransmission, it is effective in treating pharmacoresistant seizures.",CCNC(C)CC1=CC=CC(=C1)C(F)(F)F,,Arotinolol,DB00255
1135,1135,1135,Belantamab mafodotin is an anti B-cell maturation antigen antibody conjugated to a microtubule inhibitor to treat relapsed or refractory multiple myeloma.,,,"(2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",DB01066
1136,1136,1136,Not Available,[H][C@@]1(CCN(C1)C(=O)C1=CC=C(NC2=NC(C3=CN=C(C)N3C(C)C)=C(F)C=N2)C=C1)N(C)C,,Pyridoxal-5'-Phosphate-N-Oxide,DB12026
1137,1137,1137,"SB-559448 is a small-molecule drug that mimics the activity of thrombopoietin (TPO), a protein factor that promotes growth and production of blood platelets. This drug is developed by GlaxoSmithKline and used to treat Thrombocytopenia.Thrombocytopenia (decreased platelet count) is a common side effect of many chemotherapies and can lead to uncontrolled bleeding, thus representing a significant problem in the treatment of cancer patients.",,,"4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde",DB02186
1138,1138,1138,Azidocillin is a penicillin antibiotic similir to ampicillin.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=[N+]=[N-])C1=CC=CC=C1)C(O)=O,,Abatacept,DB01992
1139,1139,1139,Dapagliflozin is a sodium-glucose cotransporter 2 inhibitor used in the management of type 2 diabetes mellitus.,CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1,,Vardenafil,DB04910
1140,1140,1140,Not Available,NC(=N)C1=CC=C(O)C(CN2CC[C@H](NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)=C1,,4-Fluorophenethyl Alcohol,DB16165
1141,1141,1141,Mirikizumab is an anti-IL-23 monoclonal antibody used as a second-line therapy for moderate-to-severe active ulcerative colitis.,,QVQLVQSGAEVKKPGSSVKVSCKASGYKFTRYVMHWVRQAPGQGLEWMGYINPYNDGTNYNEKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCARNWDTGLWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,XL784,DB03411
1142,1142,1142,Sodium tetradecyl sulfate is an anionic surfactant used to treat varicose veins of the lower extremities.,[Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O,,Valrubicin,DB06972
1143,1143,1143,Hexocyclium is a muscarinic acetylcholine receptor antagonist which was presumably used in the treatment of gastric ulcer or diarrhea. It was once available under the tradename Tral marketed by Abbvie Inc. but has been discontinued. Proton pump inhibitors like Omeprazole and opiate anti-diarrheal agents like Loperamide have largely replaced the use of anti-muscarinics in the treatment of gastric ulcers and diarrhea due to their more favorable side effect profiles.,C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2=CC=CC=C2)CC1,,Phenethyl Isothiocyanate,DB05885
1144,1144,1144,Coagulation Factor IX (Recombinant) is a form of recombinant human coagulation Factor IX used to treat hemophilia B.,,YNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAEAVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT,Leukotriene B4,DB01224
1145,1145,1145,Not Available,[H][C@](N)(CC1=CC=C(I)C=C1)C(O)=O,,"N,N-Bis(3-(D-gluconamido)propyl)deoxycholamide",DB05920
1146,1146,1146,Icatibant is a bradykinin B2 receptor antagonist used to treat acute episodes of swelling and inflammation associated with hereditary angioedema (HAE).,,,Becatecarin,DB13949
1147,1147,1147,Not Available,[H][C@]1(F)OC([O-])[C@H](O)[C@@H](O)[C@@H]1O,,4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE,DB11858
1148,1148,1148,Not Available,CCC(CC)N1C=CC2=C1C=CC1=C2C(N)=NC(N)=N1,,Voretigene neparvovec,DB13174
1149,1149,1149,is an experimental therapeutic vaccine currently in clinical trial. The aim of therapeutic vaccines is to augment the body's immune response to HIV and to delay or prevent progression to AIDS.,,,Epigallocatechin gallate,DB01245
1150,1150,1150,Not Available,O=C1CCCC(NC2=NN=NN2)=C1,,Guanine,DB04044
1151,1151,1151,Not Available,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=C1C=CC=N3)N2C,,"1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine",DB00879
1152,1152,1152,Not Available,COC1=CC(CC2=NC3=NC(F)=NC(N)=C3N2)=C(OC)C=C1,,Latrunculin B,DB02827
1153,1153,1153,Not Available,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=CN=C3N2CCCC#C)=C1,,Isosorbide dinitrate,DB06137
1154,1154,1154,Ripretinib is a kinase inhibitor used to treat advanced gastrointestinal stromal tumor (GIST).,CCN1C(=O)C(=CC2=C1C=C(NC)N=C2)C1=C(Br)C=C(F)C(NC(=O)NC2=CC=CC=C2)=C1,,Hydroxychloroquine,DB05967
1155,1155,1155,Zanapezil (TAK-147) is a selective acetylcholine (ACh) esterase inhibitor under investigation as a drug for Alzheimer's disease (AD) treatment.,O=C(CCC1CCN(CC2=CC=CC=C2)CC1)C1=CC2=C(CCCCN2)C=C1,,"(2S,2'S)-2,2'-(1,2-Hydrazinediylbis{methylene[(2S)-1-oxo-2,1-hexanediyl]imino})bis(6-amino-N-phenylhexanamide)",DB06921
1156,1156,1156,Not Available,[H][C@@](C)(NC(=O)CN)C(=O)N1CCC[C@@]1([H])C(=O)NC1=CC=C2C=CC=CC2=C1,,"5-methyl-6-phenylquinazoline-2,4-diamine",DB00168
1157,1157,1157,"Ribociclib is a kinase inhibitor used to treat HR+, HER2- advanced or metastatic breast cancer.",CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1,,[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL,DB16662
1158,1158,1158,Not Available,CC1=CNC=N1,,Vismodegib,DB06211
1159,1159,1159,Not Available,CN1C(=O)CCC1(C)C,,3-Isopropylmalic Acid,DB01452
1160,1160,1160,Not Available,C[C@H](CF)C[C@H](N)C(O)=O,,Riociguat,DB06974
1161,1161,1161,Not Available,[H][C@@](N)(C(=O)N1[C@@]2([H])C[C@@]2([H])C[C@@]1([H])C#N)[C@]12C[C@@]3([H])C[C@]([H])(C[C@](O)(C3)C1)C2,,3-sulfino-L-alanine,DB06828
1162,1162,1162,"PF-07304814 is a small molecule prodrug that targets the 3CLpro protease (Mpro), which is used by viruses like SARS-CoV-2 to assemble and multiply2. Once administered through intravenous infusion, the compound is cleaved into PF-00835231 to exert its anti-viral effects2. PF-07304814, developed by Pfizer, was first identified during the SARS outbreak in 2002-2003; it was subsequently shelved as the outbreak was controlled3. Now, it is being tested regarding the novel SARS-CoV-2 virus, including studies in conjunction with Remdesivir to treat COVID-19 infection; in vitro data showed synergistic effects on articles published on preprint servers4,1. Phase 1b studies are also exploring the safety and tolerability of PF-07304814 in COVID-19 patients who are hospitalized (NCT04535167).",[H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C2=CC3=C(N2)C=CC=C3OC)C(=O)COP(O)(O)=O)CCNC1=O,,6-hydroxynorleucine,DB05289
1163,1163,1163,,,,9-Deazaguanine,DB07498
1164,1164,1164,Not Available,NCCC1=CC=CC=C1,,N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-2-Methyl-Butane,DB05101
1165,1165,1165,Saredutant (SR 48968) is a neurokinin-2 antagonist drug being developed as an antidepressant and anxiolytic by Sanofi-Aventis.,CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)C1=CC=CC=C1)C1=CC=C(Cl)C(Cl)=C1)C(=O)C1=CC=CC=C1,,Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside,DB08582
1166,1166,1166,Not Available,[H]N([C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O,,Mianserin,DB08541
1167,1167,1167,Not Available,CC(C)C[C@H](NC(=O)C1=CC2=C(O1)C=CC=C2)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)C1=CC=CC=N1,,3-Deoxy-D-Glucosamine,DB08521
1168,1168,1168,Not Available,[H]N(CCCCCC(=O)N([H])[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC,,Rifalazil,DB02609
1169,1169,1169,Not Available,CC1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,,Ketodarolutamide,DB02954
1170,1170,1170,Not Available,[H][C@]1(C)CC[C@]2(CO)CO[C@]([H])(C3=CC=C(O)C=C3)[C@@]1([H])[C@@]2([H])C,,"N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",DB02680
1171,1171,1171,"Aprobarbital is a barbiturate derivative synthesized in the 1920s by Ernst Preiswerk. It was determined that the substance was capable of demonstrating sedative, hypnotic, and anticonvulsant effects. A primary treatment indicated for the use of aprobarbital was subsequently insomnia. Aprobarbital was never as widely used as more common barbiturate derivatives such as phenobarbital and is now rarely prescribed.",CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,,Vecabrutinib,DB07352
1172,1172,1172,Not Available,[H][C@@](CC(C)C)(CN(O)C=O)C(O)=O,,"2,3-Anhydro-quinic acid",DB08384
1173,1173,1173,"NXN-188 is a first-in-class, dual-action small molecule incorporating both neuronal nitric oxide synthase (nNOS) inhibition and 5-HT agonism that is being developed for the treatment of acute migraine.",,,Equine Botulinum Neurotoxin F Immune FAB2,DB04861
1174,1174,1174,"Poziotinib has been used in trials studying the treatment of Breast Cancer, Metastatic Breast Cancer, Increased Drug Resistance, Adenocarcinoma of Lung Stage IV, and Adenocarcinoma of Lung Stage IIIB, among others.",COC1=C(OC2CCN(CC2)C(=O)C=C)C=C2C(NC3=CC=C(Cl)C(Cl)=C3F)=NC=NC2=C1,,Pelitinib,DB06832
1175,1175,1175,Naltrexone is a narcotic antagonist used in opioid overdose.,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]1(O)CCC2=O,,Dalotuzumab,DB00719
1176,1176,1176,Lacidipine is a lipophilic dihydropyridine calcium channel blocker with a slow onset of action used to treat hypertension.,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC,,Oxiconazole,DB03082
1177,1177,1177,A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent. [PubChem],OC(=O)C(O)=O,,Inotuzumab ozogamicin,DB00596
1178,1178,1178,Not Available,[H][C@]1(CC2=C(C=CC=C2)[C@@]1([H])O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,,Epothilone D,DB00154
1179,1179,1179,Not Available,CC(=O)N[C@@H](CC1=CC(C(O)=O)=C(CC(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,"4-Carboxy-5-(1-Pentyl)Hexylsulfanyl-1,2,3-Triazole",DB04116
1180,1180,1180,"Salsalate is a nonsteroidal anti-inflammatory agent used in the symptomatic relief of rheumatoid arthritis, osteoarthritis and related rheumatic disorders.",OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O,,Danaparoid,DB04131
1181,1181,1181,Tolbutamide is a sulfonylurea used to treat hyperglycemia in patients with type 2 diabetes mellitus.,CCCCNC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,,CRA_10655,DB04530
1182,1182,1182,Not Available,[NH3+][C@H](CCl)C([O-])=O,,Dulaglutide,DB01936
1183,1183,1183,Not Available,CC1=CC=CC(C)=C1OCC(O)=O,,Lauric acid,DB00560
1184,1184,1184,Not Available,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(=C([O-])C(=C1)C1=NC2=C(N1)C=C(C=C2)C(N)=N)C1=CC=CC=C1OC,,P-Anisic Acid,DB07307
1185,1185,1185,Not Available,OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,,1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE,DB08860
1186,1186,1186,Not Available,NC1=NC2=NN(N=C2C(O)=N1)C1=CC(=CC=C1)C(=O)NCC1=CC(Cl)=CC(Cl)=C1,,Dutasteride,DB08571
1187,1187,1187,"Halazepam is a benzodiazepine derivative drug exerting anxiolytic, anticonvulsant, sedative, a muscle relaxing effects.1,2 It has been shown to be less toxic than chlordiazepoxide or diazepam.1 This drug is no longer marketed in the United States, and was withdrawn by Schering, its manufacturer, in 2009.3,4",FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,,Inhibitor BEA388,DB07276
1188,1188,1188,"Lintitript is a new, highly specific and potent CCK-A receptor antagonist.",OC(=O)CN1C(=CC2=CC=CC=C12)C(=O)NC1=NC(=CS1)C1=CC=CC=C1Cl,,3-(10-methyl-9-anthryl)propanoic acid,DB04327
1189,1189,1189,"GSK-923295 is a small-molecule inhibitor of the mitotic kinesin centromere-associated protein E (CENP-E), and the third novel drug candidate to arise from Cytokinetics' broad strategic alliance with GlaxoSmithKline (GSK). GSK-923295 demonstrated a broad spectrum of activity against a range of human tumor xenografts grown in nude mice, including models of colon, breast, ovarian, lung and other tumors. GSK-923295 is the first drug candidate to enter human clinical trials that specifically targets CENP-E and is currently in Phase I human clinical trials being conducted by GSK.",,,"METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE",DB08407
1190,1190,1190,Not Available,NC(=O)C1=NC(=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,,ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,DB01672
1191,1191,1191,Not Available,[H][C@@](N)(CC1=CC=C(I)C=C1)C(O)=O,,ABT-510,DB07565
1192,1192,1192,Isocarboxazid is a monoamine oxidase inhibitor used to treat enduring and debilitating symptoms of depression following inadequate clinical response to other antidepressant drugs.,CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1,,PH-284,DB14487
1193,1193,1193,Not Available,CN1C=NC2=CC(C#N)=C(C(CN)=C12)C1=C(Cl)C=CC=C1,,Arsenic trioxide,DB01134
1194,1194,1194,Not Available,OCCNC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C1=CC(Br)=CC=C1,,"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",DB01093
1195,1195,1195,"Brecanavir (VX-385) an orally active aspartic protease inhibitor (PI), under investigation by Vertex and GlaxoSmithKline for the treatment of HIV. In July 2006, Vertex indicated that it expected GSK to initiate phase III trials of the drug in 2007. In December of 2006 GSK announced a decision to discontinue the development of brecanavir for the treatment of HIV. The decision was based on issues regarding the formulation of the drug.",[H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](CC1=CC=C(OCC2=CSC(C)=N2)C=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC2=C(OCO2)C=C1,,Flutemetamol (18F),DB11642
1196,1196,1196,"Elacestrant is an estrogen receptor antagonist used to treat ER-positive, HER2-negative, ESR1-mutated advanced or metastatic breast cancer with disease progression following at least one line of endocrine therapy.",CCNCCC1=CC=C(CN(CC)C2=C(C=CC(OC)=C2)[C@@H]2CCC3=CC(O)=CC=C3C2)C=C1,,"1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxy-2(1H)-quinolinone",DB04191
1197,1197,1197,Astemizole is a second generation antihistamine used to treat allergy symptoms.,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1,,"(9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL",DB03589
1198,1198,1198,"Cimetidine is a histamine H2 receptor antagonist used to manage GERD, peptic ulcer disease, and indigestion.",CN\C(NCCSCC1=C(C)NC=N1)=N\C#N,,Formycin B,DB00228
1199,1199,1199,Acetohydroxamic acid is a synthetic urea derivative used to treat urea splitting bacterial infections of the urinary tract.,CC(=O)NO,,"2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid",DB12140
1200,1200,1200,Plazomicin is an aminoglycoside antibiotic used to treat complicated urinary tract infections.,CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@@H](C[C@H](N)[C@@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H]2O)NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,,4-Carboxyphenylboronic Acid,DB07002
1201,1201,1201,Not Available,[H][C@]12CN(C[C@]([H])(O1)[C@@]([H])(O2)C(=O)NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NO,,Tris-Hydroxymethyl-Methyl-Ammonium,DB00605
1202,1202,1202,Not Available,CNC(=O)C1=CC(NC2=C3C=NN(C3=NC=N2)C2=CC=CC=C2)=C(C)C=C1,,Parathyroid hormone,DB07573
1203,1203,1203,Not Available,NC(=N)C1=CC2=CC=C(C=C2C=C1)C(=O)NC1=CC=CC(OC2CCCC2)=C1,,Lobeglitazone,DB03539
1204,1204,1204,Not Available,CC1=C(NC2=CC=NC3=CC(=CC=C23)C2=CSC(C=O)=N2)C=C(O)C=C1,,Benzo[B]Thiophene-2-Boronic Acid,DB05146
1205,1205,1205,Deferoxamine is a chelating agent used to treat iron or aluminum toxicity and some blood transfusion dependent anemias.,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,,Brefeldin A,DB08489
1206,1206,1206,A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. (Thromb Res 1992;67(4):345-54 & Cancer Res 1993;53(2):239-41),[H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1,,"{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide",DB04414
1207,1207,1207,Not Available,[H][C@](O)(C(=O)O[C@@]1([H])C[C@]2([H])CC[C@]([H])(C1)N2C)C1=CC=CC=C1,,SR11254,DB01198
1208,1208,1208,Not Available,[H][C@](O)(CN)C1=CC=CC(=C1)C(F)(F)F,,Matairesinol,DB07453
1209,1209,1209,Not Available,[H][C@@]1(CC(O)=O)CC[C@]([H])(N1)C(O)=O,,"methyl (1R,2S)-2-(hydroxycarbamoyl)-1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate",DB08544
1210,1210,1210,Not Available,[H][C@]1(O)CCN2C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]12[H],,Geranyl Diphosphate,DB08573
1211,1211,1211,Betahistine is an antivertigo agent used for the reduction of episodes of vertigo association with Ménière's disease.,CNCCC1=CC=CC=N1,,LY-2608204,DB00941
1212,1212,1212,Not Available,CC1=CC(C=O)=C(OP(O)(O)=O)C(C=O)=C1,,Terlipressin,DB08543
1213,1213,1213,Not Available,ClC1=CC(OC2=C(Cl)C=CC(OCC3=NNC4=NC=CC=C34)=C2)=CC(=C1)C#N,,Cyclic adenosine monophosphate,DB08667
1214,1214,1214,Turpentine is a medication used to treat minor aches and pains of muscles and joints.,,,Volasertib,DB07370
1215,1215,1215,Not Available,CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-](F)(F)F)C1=CC=CC=C1[N+]([O-])=O,,Urofollitropin,DB08624
1216,1216,1216,Besifloxacin is a fluoroquinolone antibiotic agent used for the treatment of bacterial conjunctivitis.,N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O,,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime",DB03746
1217,1217,1217,Amino-substituted glyoxylic acid derivative. [PubChem],NC(=O)C(O)=O,,Amifampridine,DB06652
1218,1218,1218,Obeticholic acid is a bile acid analog and farnesoid X receptor agonist used to treat primary biliary cholangitis in adult patients with inadequate clinical response or intolerance to UDCA.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,,Isocarboxazid,DB02620
1219,1219,1219,"LM-609 (Vitaxin) is an artificial antibody that targets a protein on the surface of newly forming blood vessels, as well as on certain tumors. In addition to cancer, the protein has been implicated in bone destruction in rheumatoid arthritis and the inflammatory process in psoriasis.",,,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",DB01269
1220,1220,1220,Trolamine salicylate is a medication used to relieve minor aches and pains of the muscles and joints.,OCCN(CCO)CCO.OC(=O)C1=CC=CC=C1O,,Interferon alfacon-1,DB04877
1221,1221,1221,,OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O,,Fluticasone,DB03060
1222,1222,1222,Not Available,[H]N(C(=O)OC(C)(C)C)[C@]([H])(C(C)C)C1=NN=CO1,,Bentazepam,DB07285
1223,1223,1223,Varespladib methyl has been investigated for the treatment of Acute Coronary Syndrome. Studies showed that Varespladib methyl treatment resulted in significant positive changes on lipoproteins and inflammation.,CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1,,5'-{[4-(aminooxy)butyl](methyl)amino}-5'-deoxy-8-ethenyladenosine,DB01012
1224,1224,1224,Not Available,CN(C\C=C\COC1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1)C1CC1,,Ospemifene,DB13929
1225,1225,1225,Oleic Acid is a naturally occurring fatty acid with antibacterial properties added to a variety of drug products.,CCCCCCCC\C=C\CCCCCCCC(O)=O,,Cetrorelix,DB06560
1226,1226,1226,"AER001, an IL4/13 receptor antagonist for severe asthma and eczema currently in Phase 2 studies.",,,Amelubant,DB07530
1227,1227,1227,"Bacitracin is a cyclic polypeptide antibiotic used to prevent wound infections, treat pneumonia and empyema in infants, and to treat skin and eye infections.",CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC,,Cilastatin,DB07281
1228,1228,1228,Lonapegsomatropin is a human growth hormone indicated in the treatment of growth failure due to inadequate endogenous growth hormone secretion.,,,2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID,DB09083
1229,1229,1229,Not Available,N[C@@H](CS[As](O)(O)=O)C(O)=O,,AC-(D)PHE-PRO-BOROHOMOLYS-OH,DB00028
1230,1230,1230,Ramipril is an ACE inhibitor used for the management of hypertension and the reduction of cardiovascular mortality following myocardial infarction in hemodynamically stable patients with clinical signs of congestive heart failure.,[H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(O)=O)C(=O)[C@H](C)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,,Coagulation Factor IX (Recombinant),DB08131
1231,1231,1231,Not Available,CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1,,S-(D-Carboxybutyl)-L-Homocysteine,DB03345
1232,1232,1232,Tranylcypromine is a monoamine oxidase inhibitor used to treat major depressive disorder.,NC1CC1C1=CC=CC=C1,,Bitolterol,DB00339
1233,1233,1233,Not Available,[H][C@](CS)(CCCC1=CC=CC=C1)C(O)=O,,Phenylferricrocin-iron,DB05797
1234,1234,1234,Not Available,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(COCC2)S1,,"(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE",DB11564
1235,1235,1235,Erdafitinib is a fibroblast growth factor receptor tyrosine kinase inhibitor used to treat locally advanced or metastatic urothelial carcinoma.,COC1=CC(=CC(OC)=C1)N(CCNC(C)C)C1=CC=C2N=CC(=NC2=C1)C1=CN(C)N=C1,,Tizanidine,DB04430
1236,1236,1236,Not Available,OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O,,Somatrogon,DB05675
1237,1237,1237,Not Available,COC1=CC=NC(NC2CCN(CC2)C(=O)C2=CC=C(C=C2)C#N)=C1,,Compound 18,DB05562
1238,1238,1238,Not Available,CC(C)C[C@@H](NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=CC=C(OCC2=CC=C(O2)C(O)=O)C(Cl)=C1Cl,,"3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL",DB12555
1239,1239,1239,Not Available,CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O,,Succinobucol,DB07620
1240,1240,1240,"Tranexamic acid is an antifibrinolytic used to reduce or prevent hemorrhagic episodes, especially in the context of hyperfibrinolytic disorders.",NC[C@H]1CC[C@@H](CC1)C(O)=O,,S-Butyryl-Cystein,DB07390
1241,1241,1241,Not Available,OC(=O)CC1=CC=C(C=C1)C1=CNC2=NC=C(C=C12)C1=CC=C2C=CC=CC2=C1,,Lometrexol,DB01903
1242,1242,1242,"Icaridin, also known as Picaridin or hydroxy-ethyl isobutyl piperidine carboxylate, is a cyclic amine and a member of the piperidine chemical family. Piperidines are structural components of piperine, which is a plant extract from the genus _Piper _, or pepper. Icaridin has been commonly used as a topically-applied insect repellent in various countries but was officially licensed for use in the United States in 2001 and Canada in 2012 4. Icaridin was synthesized by Bayer in the 1980s based on molecular modeling 4. It is considered to be the first choice of repellent by the Public Health Agency of Canada’s Canadian Advisory Committee on Tropical Medicine and Travel for travelers six months to 12 years of age 1. Icaridin is reported to be less irritating than Diethyltoluamide, another common insect repellant, and products containing up to 20% of icaridin are considered safe for long-term use in adults 3.",CCC(C)OC(=O)N1CCCCC1CCO,,1-Guanidinium-7-Aminoheptane,DB01908
1243,1243,1243,Not Available,OC(=O)CCC1=CNC2=CC=CC=C12,,Bacampicillin,DB12874
1244,1244,1244,Not Available,[H][C@@](CCCC)(C(O)=O)C1=CNC2=C1C=CC=C2,,"N'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDE",DB11915
1245,1245,1245,Not Available,OP(O)(=O)C(F)(F)C1=CC2=CC(=CC=C2C=C1)C(F)(F)P(O)(O)=O,,"lambda-bis(2,2'-bipyridine)imidazole osmium (II)",DB08172
1246,1246,1246,Not Available,NC1=CC=CC=C1C(=O)CCC(O)=O,,Potassium acetate,DB14050
1247,1247,1247,Not Available,[H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1,,"1,4-Dioxane",DB00075
1248,1248,1248,"Magnesium sulfate is a drug used to treat convulsions during pregnancy, nephritis in children, magnesium deficiency, and tetany.",[Mg++].[O-]S([O-])(=O)=O,,Hydralazine,DB00963
1249,1249,1249,Not Available,CCCCCCCCCCOC(S)=O,,Calcium levulinate,DB00871
1250,1250,1250,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=C(F)C=C1F,,GLUTATHIONE SULFINATE,DB07584
1251,1251,1251,Not Available,CCC1=NC(N)=NC(N)=C1C1=CC2=C(OC(C)(C)C(=O)N2CCNC(C)=O)C=C1,,2-Fluoro-2'-Deoxyadenosine,DB02375
1252,1252,1252,Not Available,CC1=C(C=CC2=NC(N)=NC(N)=C12)C1=CC=CC=C1,,Maftivimab,DB16691
1253,1253,1253,Not Available,N1C=NC2=C1N=CN1C=CN=C21,,Zilucoplan,DB08868
1254,1254,1254,Not Available,OC1=C(C(=O)N(CCC2CC2)C2=C1C=C(F)C=C2)C1=NS(=O)(=O)C2=C(N1)C=CC=C2,,Sifalimumab,DB03165
1255,1255,1255,Olsalazine is an anti-inflammatory aminosalicylate used in the treatment of inflammatory bowel disease and ulcerative colitis.,OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(O)C(=C1)C(O)=O,,"9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE",DB08059
1256,1256,1256,Nitrofural is a topical antibacterial for the prevention and treatment of bacterial infections of the skin.,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O,,Acetic Acid Salicyloyl-Amino-Ester,DB08599
1257,1257,1257,Not Available,CC(=O)NC1=C2C=CC=NC2=C2N=CC=CC2=C1,,Pertuzumab,DB12980
1258,1258,1258,Sacubitril is a neprilysin inhibitor used in combination with valsartan as an adjunct to reduce the risk of cardiovascular death and hospitalization for heart failure in patients with chronic heart failure (NYHA Class II-IV) and reduced ejection fraction.,CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)CCC(O)=O,,"(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",DB07972
1259,1259,1259,Not Available,O\N=C\C1=C2C=CC=CC2=C(C=C1)C1=CC=C(O)C=C1,,Indoramin,DB08638
1260,1260,1260,Givinostat is a histone deacetylase inhibitor indicated for the treatment of Duchenne Muscular Dystrophy (DMD).,CCN(CC)CC1=CC=C2C=C(COC(=O)NC3=CC=C(C=C3)C(=O)NO)C=CC2=C1,,Pregabalin,DB09555
1261,1261,1261,Not Available,CCCCO,,5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE,DB05395
1262,1262,1262,Not Available,CCS(=O)(=O)C1=CC=C(OC)C(NC2=NC=C(O2)C2=CC=CC(=C2)C2=CC=CC=N2)=C1,,3-[(3-Nitrophenyl)sulfamoyl]-2-thiophenecarboxylic acid,DB03045
1263,1263,1263,Not Available,[H][C@@](C)(NC1=CC2=C(ON=C2C2=CC(Cl)=CC(CCCO)=C2)C=N1)C1=CC=CC=C1,,1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL,DB04656
1264,1264,1264,Not Available,NC(=N)NC1=CC=C(CO)C=C1,,5'-O-[(L-methionyl)-sulphamoyl]adenosine,DB11093
1265,1265,1265,Not Available,,,"5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE",DB00501
1266,1266,1266,Gliclazide is a sulfonylurea used to treat hyperglycemia in patients with type 2 diabetes mellitus.,[H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1,,Vafidemstat,DB11587
1267,1267,1267,Adenine is a purine base which forms a component of DNA among other functions and is present in many multivitamins.,NC1=C2NC=NC2=NC=N1,,Troglitazone,DB07505
1268,1268,1268,Not Available,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC(Cl)=C1,,Bevantolol,DB02709
1269,1269,1269,"Carbinoxamine is a first generation antihistamine used to treat allergic rhinitis, vasomotor rhinitis, allergic conjunctivitis, allergic reactions, and mild allergic reactions.",CN(C)CCOC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,,Atiprimod,DB00128
1270,1270,1270,Not Available,CCCCCCCCCCCCC(=O)CC(O)=O,,"UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE",DB07077
1271,1271,1271,"Cupric Chloride is a transition metal found in a variety of supplements and vitamins, including intravenous solutions for total parenteral nutrition (TPN).",Cl[Cu]Cl,,7-methyl-guanosine-5'-triphosphate-5'-guanosine,DB07988
1272,1272,1272,"CR665 is the lead clinical development candidate from a series of highly selective peripheral kappa opioid receptor agonists. In preclinical studies, CR665 was highly selective for the peripheral kappa opioid receptor. Preclinical animal studies suggest that CR665 is a potent analgesic compound. In addition, unlike currently marketed opioids, CR665 does not produce inhibition of intestinal transit (ileus), induce respiratory depression, or elicit signs of euphoria or addiction in animal models. Preclinical studies also indicate that CR665 possesses anti-inflammatory activities.",CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC1=CC=NC=C1,,1-Allyl-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,DB00772
1273,1273,1273,Not Available,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,,Repotrectinib,DB04655
1274,1274,1274,Not Available,OCCNC1=NC=NC2=C1C(=C(N2)C1=CC=CC=C1)C1=CC=CC=C1,,Pavinetant,DB00188
1275,1275,1275,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC4=CC=C(O)C=C4)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,4-bromo-3-hydroxy-3-methyl butyl diphosphate,DB02856
1276,1276,1276,Not Available,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,,Guanosine-5'-Triphosphate,DB07007
1277,1277,1277,Roflumilast is a selective phosphodiesterase-4 inhibitor indicated to decrease the risk of exacerbations in patients with severe chronic obstructive pulmonary disease (COPD) and to treat skin conditions such as plaque psoriasis and atopic dermatitis.,FC(F)OC1=C(OCC2CC2)C=C(C=C1)C(=O)NC1=C(Cl)C=NC=C1Cl,,N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide,DB14002
1278,1278,1278,Not Available,CC(C)C1=CC(C(C)C)=C(CC(=O)NS(=O)(=O)OC2=C(C=CC=C2C(C)C)C(C)C)C(=C1)C(C)C,,Caldaret,DB07364
1279,1279,1279,Tirofiban is a platelet aggregation inhibitor used to prevent thrombotic events in non-ST elevated acute coronary syndrome.,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O,,Phenelzine,DB13900
1280,1280,1280,Sparfloxacin is a fluoroquinolone antibiotic used to treat bacterial respiratory infections and sinusitis.,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O,,Histidyl-Adenosine Monophosphate,DB08013
1281,1281,1281,"Dexchlorpheniramine maleate is a first generation antihistamine used to treat allergic and vasomotor rhinitis, allergic conjunctivitis, and mild urticaria and angioedema.",OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=CC=N1,,Prothrombin,DB04905
1282,1282,1282,Not Available,CCN1C2=C(F)C=CC(F)=C2C(N)=NC11CCN(CC1)C(=O)C1=CN=C(CC1)C#N,,"1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea",DB03613
1283,1283,1283,FLX475 is a small molecule CCR4 antagonist being investigated for the treatment of cancer.1,,,Succinyl-Coenzyme A,DB01075
1284,1284,1284,"VEGF-AS (Veglin) is an anti-angiogenesis non-chemotherapy drug (angiogenesis inhibitor) that was developed by VasGene Therapeutics, Inc. for the treatment of a variety of malignancies including mesothelioma. Veglin is one of several newly developed non-chemotherapy drugs being tested for possible utilization in the ongoing struggle to combat malignant mesothelioma.",,,Tetrahydrodeoxyuridine,DB09242
1285,1285,1285,"Ketoprofen is an NSAID used to treat rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, dysmenorrhea, mild to moderate muscle pain, postoperative pain, and postpartum pain.",CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,,Onercept,DB06847
1286,1286,1286,Gemtuzumab ozogamicin is a monoclonal anti-CD33 antibody used to treat CD33-positive acute myeloid leukemia.,,DIQLTQSPSTLSASVGDRVTITCRASESLDNYGIRFLTWFQQKPGKAPKLLMYAASNQGSGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCQQTKEVPWSFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,bis(5-amidino-benzimidazolyl)methanone zinc,DB01154
1287,1287,1287,Not Available,N1C=CC(=N1)C1=CN=C(S1)C1=CC=CC=C1,,AL7182,DB16417
1288,1288,1288,"Radotinib is under investigation for the treatment of Leukemia, Myelogenous, Chronic, BCR-ABL Positive.",CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=N3)=C2)=CC(=C1)C(F)(F)F,,6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine,DB11635
1289,1289,1289,Not Available,CCOC(=O)C1=CC=C(OCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1,,Phenylalanylmethylchloride,DB15565
1290,1290,1290,Not Available,CN1C=C(C=C1\C=C\C(=O)NO)C(=O)CC1=CC=CC=C1,,Magnesium carbonate,DB05122
1291,1291,1291,Not Available,CN(CC1=CC2=C(C=CC=C2)N1C)C(=O)\C=C\C1=CN=C(N)C=C1,,Ertiprotafib,DB02537
1292,1292,1292,Not Available,CC1=NC(=CO1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1,,Variolin B,DB07330
1293,1293,1293,"Racivir, also known as RCV, is an oxothiolane nucleoside reverse transcriptase inhibitor similar to emtricitabine and lamivudine. Racivir is a 50:50 mixture of emtricitabine and its positive enantiomer. Racivir has been used in trials studying the prevention of HIV Infections.",OCC1OC(CS1)N1C=C(F)C(=N)N=C1O,,Isoleucine,DB02401
1294,1294,1294,Not Available,NC(=N)C1=CC2=C(C=CC=C2NC2=NC=CC=N2)C=C1,,"6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL",DB05434
1295,1295,1295,Cabazitaxel is an antineoplastic agent used in combination with corticosteroids to treat metastatic castration-resistant prostate cancer in patients previously treated with a docetaxel-containing treatment regimen.,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CC=C4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C,,Nisoxetine,DB00942
1296,1296,1296,"AM103 is a novel inhibitor of 5-lipoxygenase-activiting protein (FLAP) that has demonstrated potential to treat asthma and cardiovascular disease by preventing the synthesis of LT, which triggers inflammation. It is being developed by Amira.",,,Atosiban,DB01238
1297,1297,1297,"Taspoglutide is a pharmaceutical drug, a glucagon-like peptide-1 agonist (GLP-1 agonist), under investigation for treatment of type 2 diabetes being codeveloped by Ipsen and Roche. In September 2010 Roche halted Phase III clinical trials due to incidences of serious hypersensitivity reactions and gastrointestinal side effects. As of May 2013 no new trials had been registered.",CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CNC=N1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O,,Ferrous gluconate,DB01586
1298,1298,1298,Not Available,OC(=O)CCCC(O)=O,,Segesterone acetate,DB09116
1299,1299,1299,Not Available,C[C@@H]1O[C@@H](O[C@H]2C[C@@](O)(CC3=C2C(O)=C2C(=O)C4=CC=CC=C4C(=O)C2=C3O)C(=O)CO)[C@H](I)[C@H](O)[C@H]1O,,(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide,DB08197
1300,1300,1300,Not Available,OC[C@@H](O)CSO,,"(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL",DB08433
1301,1301,1301,A D-α-amino acid that is the D-isomer of arginine (only the L-form is physiologically active).,N[C@H](CCCNC(N)=N)C(O)=O,,Dipyridamole,DB03970
1302,1302,1302,"Doxepin is a psychotropic agent used for the treatment of depression, anxiety, manic-depressive disorder, and insomnia.",[H]C(CCN(C)C)=C1C2=CC=CC=C2COC2=CC=CC=C12,,Fezolinetant,DB03615
1303,1303,1303,Not Available,CN(C)CCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,,Tetrahydrooxazine,DB07059
1304,1304,1304,"Paroxetine is a selective serotonin reuptake inhibitor used to treat major depressive disorder, panic disorder, OCD, social phobia, generalized anxiety disorder, the vasomotor symptoms of menopause, and premenstrual dysphoric disorder.",FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1,,2-Isobutyl-3-methoxypyrazine,DB02937
1305,1305,1305,Not Available,[H][C@@](CCN)(C(=O)NC1=CC=C2NN=C(NC(=O)C3=CC=CC=C3)C2=C1)C1=CC(Cl)=CC=C1,,Argifin,DB08020
1306,1306,1306,Not Available,CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O,,"N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE",DB01102
1307,1307,1307,Delorazepam is a benzodiazepine used to manage severe anxiety disorders and insomnia.,ClC1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2Cl)C=C1,,Levomilnacipran,DB03515
1308,1308,1308,A phosphodiesterase inhibitor with antidepressant properties.,COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1,,Romidepsin,DB07448
1309,1309,1309,Tifuvirtide is the first members of a new class of anti-HIV drugs which is also called fusion inhibitors. It has received fast-track designation from the FDA and is in Phase I/II clinical testing.,,,Zotiraciclib,DB01114
1310,1310,1310,Not Available,OC(=O)CCC1=CC=C(O)C=C1,,"(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE",DB03952
1311,1311,1311,"HZT-501 is under investigation by Horizon Therapeutics, Inc., a privately held biopharmaceutical company. It has entered Phase 3 clinical trials in March 2007 for reduction of the risk of development of ibuprofen-associated upper gastrointestinal (i.e., gastric and/or duodenal) ulcers. HZT-501 is a combination product including ibuprofen and the acid reducing agent famotidine.",,,"(2S)-2-amino-3-phenylpropane-1,1-diol",DB00523
1312,1312,1312,Rucaparib is a poly (ADP-ribose) polymerase (PARP) inhibitor used to treat recurrent ovarian and prostate cancers in previously treated adults.,CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3,,Nitrendipine,DB14042
1313,1313,1313,Not Available,CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)N\C=C/N1C(=O)CCC1=O)C(=O)O2,,Raloxifene,DB07737
1314,1314,1314,Aprinocarsen is a specific antisense oligonucleotide inhibitor of protein kinase C-alpha.,,,Rolicyclidine,DB02374
1315,1315,1315,"Sarpogrelate has been investigated for the treatment of Diabetes Mellitus, Diabetic Nephropathy, Coronary Artery Disease, and Renal Insufficiency, Chronic.",COC1=CC(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)=CC=C1,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Oxadiazole",DB14975
1316,1316,1316,Not Available,[H][C@](N)(CC1=C(O)C=C(O)C(N\C(COC2=CC=C3C=CC=CC3=C2)=C\C=O)=C1)C(O)=O,,L-Glycero-D-Manno-Heptopyranose,DB02866
1317,1317,1317,Not Available,CC(C)OC1=CC=C(CC[C@]2(CC(O)=CC(=O)O2)C2CCCC2)C=C1F,,Ganciclovir,DB06321
1318,1318,1318,Not Available,CN(C)C1=CC=C(C=C1)C1=C(N=CN=C1N)C#CC1=CC=C(N=C1)N1CCOCC1,,Sofosbuvir,DB07621
1319,1319,1319,Dapiprazole (U.S. trade name Rev-Eyes) is an alpha blocker. It is found in ophthalmic solutions used to reverse mydriasis after an eye examination.,CC1=CC=CC=C1N1CCN(CCC2=NN=C3CCCCN23)CC1,,1-O-[O-Nitrophenyl]-Beta-D-Galactopyranose,DB02900
1320,1320,1320,Biperiden is a muscarinic receptor antagonist used to treat parkinsonism and control extrapyramidal side effects of neuroleptic drugs.,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1,,Esmolol,DB03193
1321,1321,1321,Not Available,CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1,,Methionine,DB09418
1322,1322,1322,Not Available,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=C(C=C2)C1=CC(OC)=CC=C1,,Acetyl sulfisoxazole,DB07480
1323,1323,1323,Not Available,OC(=O)C(=O)CC1=CC=CC=C1,,2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID,DB04392
1324,1324,1324,Not Available,[H][C@]1(O)COC(=C[C@]1([H])O)C(O)=O,,Pentosan polysulfate,DB01969
1325,1325,1325,Emicizumab is an antibody against Factor IXa and Factor X used to treat hemophilia A.,,QVQLVESGGGLVQPGGSLRLSCAASGFTFSYYDIQWVRQAPGKGLEWVSSISPSGQSTYYRREVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARRTGREYGGGWYFDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQKEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQEGNVFSCSVMHEALHNRYTQKSLSLSP,4-(Hydroxymethyl)Benzamidine,DB04886
1326,1326,1326,"Decanoic acid is a solid. This compound belongs to the straight chain fatty acids. These are fatty acids with a straight aliphatic chain. The proteins that decanoic acid targets include furin, octanoyltransferase, 3-oxoacyl-[acyl-carrier-protein] synthase 1, peptostreptococcal albumin-binding protein, and putative uncharacterized protein tcp14.",CCCCCCCCCC(O)=O,,N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID,DB01146
1327,1327,1327,"Mifamurtide is a muramyl dipeptide derivative used to treat high grade, resectable, non-metastatic osteosarcoma after surgical resection.",O.[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC,,"2',3'-O-{4-[Hydroxy(oxido)-λ5-azanylidene]-2,6-dinitro-2,5-cyclohexadiene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate)",DB08502
1328,1328,1328,Not Available,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC(Cl)=CC(Cl)=C1,,Purine Riboside-5'-Monophosphate,DB03210
1329,1329,1329,Not Available,N[C@@H](CN1C2=C(CCC2)C(=O)NC1=O)C(O)=O,,Vonicog alfa,DB07762
1330,1330,1330,Not Available,OC(=O)C(=O)\C=C\C1=CC=CC=C1O,,Tolmetin,DB11572
1331,1331,1331,"Nivolumab is a PD-1 blocking antibody used to treat melanoma, non small-cell lung cancer, renal cell cancer, head and neck cancer, and Hodgkin lymphoma.",,QVQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Naphthalene Trisulfonate,DB04895
1332,1332,1332,Not Available,[H][C@@]1(N=C(C2=CC=CC=C2)C2=CC=CC=C2N=C1N1CC(O)C1)C1=CC=CS1,,"(2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL",DB00032
1333,1333,1333,"Thiopental is a barbiturate used to induce general anesthesia, treat convulsions, and reduce intracranial pressure.",CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,,Lysophosphotidylserine,DB03171
1334,1334,1334,Not Available,CC(=O)NC1=CC=C(C=C1NC(=O)C[NH3+])C(O)=O,,Acitretin,DB04396
1335,1335,1335,Not Available,CN(C1=CC=C(C=C1)C(=O)NO)S(=O)(=O)C1=CC=C(S1)C1=NC=CC=C1,,2-Aminobenzyl alcohol,DB04001
1336,1336,1336,Not Available,CN(C)C1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NCCCCNC(=O)CCS,,"N-{3-[(7ar,12as,12bs)-7-Oxo-1,3,4,6,7,7a,12a,12b-Octahydroindolo[2,3-a]Quinolizin-12(2h)-Yl]Propyl}Propane-2-Sulfonamide",DB08810
1337,1337,1337,Not Available,[H]N([C@H]1CC[C@@H](O)CN([H])C1=O)C(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(C)C,,N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide,DB01810
1338,1338,1338,Decitabine is a chemotherapeutic pyrimidine nucleoside analogue used for the treatment of myelodysplastic syndromes (MDS) by inducing DNA hypomethylation and corresponding alterations in gene expression.,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1,,Seractide acetate,DB00749
1339,1339,1339,Not Available,[H][C@]1(COCC2=CC=CC=C2)CNC[C@]1([H])CN(CC(C)C)S(=O)(=O)C1=CC=CC=C1,,9-Deazahypoxanthine,DB04798
1340,1340,1340,"Alizapride is a dopamine antagonist used to prevent nausea and vomiting associated with medical procedures, surgeries, and cancer therapies.",COC1=CC2=NNN=C2C=C1C(=O)NCC1CCCN1CC=C,,Phenylalanylamide,DB08344
1341,1341,1341,Terlipressin is a drug used to treat bleeding caused by esophageal varices.,,GGGCYFQNCPKG,Pterin Cytosine Dinucleotide,DB02904
1342,1342,1342,Not Available,CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,,Acyclovir,DB04553
1343,1343,1343,Not Available,COC1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O,,1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID,DB00868
1344,1344,1344,Not Available,CC1=CNC=C1,,4-(4-Chlorophenyl)Imidazole,DB07540
1345,1345,1345,Not Available,CC(C)C[C@@H](C(O)=O)C(=O)NO,,Procainamide,DB08395
1346,1346,1346,Not Available,CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1,,Alvespimycin,DB06236
1347,1347,1347,Not Available,[H][C@](N)(CCCC)C(O)(O)CNC1CC1,,Rizatriptan,DB03686
1348,1348,1348,"Cyclizine is an antihistamine and antiemetic drug used for the prevention and treatment of nausea, vomiting, and dizziness associated with motion sickness, and vertigo.",CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,,(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide,DB04012
1349,1349,1349,Ethynodiol diacetate is an oral contraceptive used to prevent pregnancy.,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC[C@H](OC(C)=O)C=C3CC[C@@]21[H],,Sanglifehrin A,DB04592
1350,1350,1350,Not Available,CC(=O)C1=C(C)N=C(NC2=CC=CC=C2)S1,,Benserazide,DB16754
1351,1351,1351,Not Available,OB(O)C1=CC=C(\C=C\C(O)=O)C=C1,,Testosterone,DB02428
1352,1352,1352,"Spermine is a spermidine-derived biogenic polyamine found as a polycation at all pH values. Found in various tissues and organisms, it often acts as an essential growth factor in some bacterial species. Spermine is associated with nucleic acids, particularly in viruses, and is thought to stabilize the helical structure.",NCCCNCCCCNCCCN,,"2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide",DB04294
1353,1353,1353,Not Available,[H][C@]1(CO[P@@](O)(=S)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"9-Butyl-8-(3,4,5-Trimethoxybenzyl)-9h-Purin-6-Amine",DB03220
1354,1354,1354,OSI-461 is a second-generation molecule belonging to a new class of drugs termed selective apoptotic anti-neoplastic drugs (SAANDs).,,,"1-Tert-Butyl-3-(4-Chloro-Phenyl)-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",DB04643
1355,1355,1355,Melatonin is an endogenous hormone produced by the pineal gland that regulates sleep-wake cycles and when provided exogenously has beneficial effects on sleep-onset latency; available as an over-the-counter supplement.,COC1=CC=C2NC=C(CCNC(C)=O)C2=C1,,Macimorelin,DB07875
1356,1356,1356,"Hyoscyamine is an anticholinergic indicated to treat functional gastrointestinal disorders, biliary and renal colic, and acute rhinitis.",CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)C1=CC=CC=C1,,Desogestrel,DB02998
1357,1357,1357,Not Available,C[N+](C)(C)[C@@H](CCC1=NC(C[C@H](N)C(O)=O)=CN1)C(N)=O,,N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID,DB07831
1358,1358,1358,Not Available,CSC1=NC2=CC=CC=C2C(=O)N1C1=C(F)C=CC=C1F,,Insulin glargine,DB01077
1359,1359,1359,Not Available,NC1=NC2=CC=CC=C2C(=O)N1,,Garetosmab,DB12236
1360,1360,1360,Not Available,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)CCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,,3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL,DB02078
1361,1361,1361,"Estriol is a weak estrogen used to treat vaginal dryness and estrogen deficiency conditions, such as vaginitis and vulvar itching.",[H][C@@]12C[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,Sonidegib,DB08091
1362,1362,1362,Not Available,ONC(=O)COP(O)(O)=O,,3-hydroxyglutaric acid,DB14762
1363,1363,1363,Not Available,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OS(=O)(=O)O2,,Epitestosterone,DB16672
1364,1364,1364,Not Available,NC1=NC(=CC=N1)C1=C(N=CN1CC1CC1)C1=CC=C(F)C=C1,,"(2R,4S)-2-[(1R)-1-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid",DB00319
1365,1365,1365,Not Available,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,,Tocofersolan,DB07032
1366,1366,1366,Not Available,[H][C@]1(N)CN(CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=NC=NC(=C1)C1=CC=CC(=C1)S(C)(=O)=O,,"4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid",DB00144
1367,1367,1367,Iopodic acid is an iodine containing cholecystography agent.,CN(C)C=NC1=C(I)C=C(I)C(CCC(O)=O)=C1I,,Tadalafil,DB04765
1368,1368,1368,"Tesaglitazar is a dual peroxisome proliferator-activated receptor alpha/gamma agonist which improves apolipoprotein levels in non-diabetic subjects with insulin resistance. Tesaglitazar is a proposed treatment for type 2 diabetes and has completed several phase III clinical trials, however in May 2006 AstraZeneca announced that they had discontinued further development.",CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O,,Macitentan,DB00548
1369,1369,1369,Not Available,CCCCCCCCOCCOCCOCCOCCOCCO,,"3,4-Dihydro-2'-deoxyuridine-5'-monophosphate",DB01018
1370,1370,1370,Not Available,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CSCC2)S1,,alpha-D-glucose-1-phosphate,DB02845
1371,1371,1371,Not Available,[H][C@]1(C=CC2=C(Cl)N=C(OCC3=CC=C(F)C=C3)C(=O)N12)C(=O)N1CCCC1,,"2-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]iminocyclohexa-2,5-dien-1-yl]acetonitrile",DB01126
1372,1372,1372,"Pemigatinib is a kinase inhibitor used to treat locally advanced or metastatic, unresectable cholangiocarcinoma in previously treated adult patients.",CCN1C(=O)N(CC2=CN=C3NC(CN4CCOCC4)=CC3=C12)C1=C(F)C(OC)=CC(OC)=C1F,,Biphenylalanine,DB07961
1373,1373,1373,"Pyrethrum extract is a chrysanthemum flower extract used to treat head, pubic, and body lice.",,,3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID,DB00890
1374,1374,1374,Palovarotene is a selective agonist of retinoic acid receptor gamma (RARγ) used to reduce heterotopic ossification in patients with Fibrodysplasia Ossificans Progressiva (FOP).,CC1(C)CCC(C)(C)C2=C1C=C(CN1C=CC=N1)C(\C=C\C1=CC=C(C=C1)C(O)=O)=C2,,Ethanol,DB00653
1375,1375,1375,"Naftifine is an antifungal agent used to treat infections of the Tinea, Trichophyton, and Epidermophyton species.",CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12,,Benzofuran,DB04871
1376,1376,1376,Not Available,[H]N(OCC1=CC=CC=C1)S(=O)(=O)CC[C@H](CCC1=CC=CC=C1)N([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)N1CCN(C)CC1,,Aracytidine 5'-monophosphate,DB04653
1377,1377,1377,Chromium nicotinate is a medication used to treat chromium deficiencies and associated symptoms and also in total parenteral nutrition.,[Cr+3].[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1.[O-]C(=O)C1=CN=CC=C1,,Flavoxate,DB00091
1378,1378,1378,Not Available,[H][C@]1(O)C=C(O[C@@]([H])(OCC(C)C)[C@]1([H])NC(C)=O)C(O)=O,,Eprotirome,DB00120
1379,1379,1379,Not Available,CCC(=O)C(O)=O,,Magnesium levulinate,DB03354
1380,1380,1380,A synthetic estrogen that has been used as a hormonal antineoplastic agent.,[H][C@](CC)(C1=CC=C(O)C=C1)[C@]([H])(CC)C1=CC=C(O)C=C1,,O1-Pentyl-Mannose,DB17080
1381,1381,1381,Piroxicam is an NSAID used to treat the symptoms of osteoarthritis and rheumatoid arthritis.,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O,,Cefditoren,DB07587
1382,1382,1382,"Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group. It is a colorless, oily liquid with an acetone-like smell.",O=C1CCCCC1,,Nivolumab,DB04784
1383,1383,1383,Tazemetostat is a methyltransferase inhibitor indicated to treat patients 16 years and older with metastatic or locally advanced epithelioid sarcoma not eligible for complete resection.,CCN(C1CCOCC1)C1=C(C)C(=CC(=C1)C1=CC=C(CN2CCOCC2)C=C1)C(=O)NCC1=C(C)C=C(C)NC1=O,,Regrelor,DB07437
1384,1384,1384,SOT-107 is a drug that is a combination of a protein called transferrin and a poison called diphtheria toxin. This drug treat for a type of brain cancer called a high grade glioma brain tumour. About half of all brain tumours are gliomas.,,,(+)-1-bromo-2-propanol,DB08316
1385,1385,1385,Not Available,CC1=NC(N)=NC2=C1CSCC2,,Aminophosphonic acid-guanylate ester,DB03289
1386,1386,1386,Not Available,[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@H](O)[C@@H](C)O,,2-Deoxy-Glucose-6-Phosphate,DB06469
1387,1387,1387,Not Available,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1F,,Avelumab,DB00312
1388,1388,1388,"Flavoxate is a muscarinic antagonist and spasmolytic used for the symptomatic relief of conditions associated with lack of muscle control in the bladder, such as dysuria, urgency, and nocturia.",CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1=CC=CC=C1,,Bisegliptin,DB08809
1389,1389,1389,Not Available,[H][C@](O)(CN)CNC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,,LM-609,DB04540
1390,1390,1390,Not Available,CC1=C(SC(N)=N1)C1=N\C(=N/C2=CC=C(C=C2)N2CCOCC2)N=CC1,,"1,1'-BIPHENYL-2-SULFINIC ACID",DB08522
1391,1391,1391,Not Available,[H][C@@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C3N=CN3C=CN=C43)[C@]([H])(OP(O)(O)=O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])O,,6-methyl-formycin A,DB00715
1392,1392,1392,Not Available,CC1=NC(=NO1)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C1=NOC(C)=N1,,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Thiopyran-3-Carboxylic Acid",DB08654
1393,1393,1393,Not Available,CC1=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C=CC=C1OCCCCC(O)=O,,Milnacipran,DB03765
1394,1394,1394,"Foreskin fibroblast (neonatal) is a treatment of cells used to treat full-thickness, diabetic foot ulcers that extend through the dermis without tendon, muscle, joint capsule, or bone exposure.",,,CYC116,DB03824
1395,1395,1395,Nafarelin is a gonadotropin releasing hormone agonist used to treat central precocious puberty.,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,,S-(4-BROMOBENZYL)CYSTEINE,DB03349
1396,1396,1396,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CNC(=O)C3=NN2)[C@]([H])(O)[C@]1([H])O,,Pentostatin,DB11763
1397,1397,1397,"An IgG1 murine monoclonal anti-idiotype antibody (Ab2), ACA-125, was developed to bind to anti-CA 125 antibodies. ACA-125 mimics the tumor-associated antigen CA-125, which can be detected in about 80% of ovarian carcinomas.",,,Pargyline,DB00048
1398,1398,1398,Florbetapir F-18 is a radiopharmaceutical diagnostic agent used during Positron Emission Tomography (PET) imaging of the brain to estimate β-amyloid neuritic plaque density in adult patients to diagnose the causes of cognitive impairment.,[H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H],,CHF 4227,DB12274
1399,1399,1399,An androgen receptor modulator.,FC(F)(F)CN(CC(F)(F)F)C1=CC2=C(NC(=O)C=C2C(F)(F)F)C=C1,,Epratuzumab,DB07344
1400,1400,1400,"Fluciclovine (18F) is a radiolabelled L-leucine derivative used to image tumors, especially in the prostate.",N[C@]1(C[C@H]([18F])C1)C(O)=O,,"2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE",DB12466
1401,1401,1401,Not Available,NC1=NCCS1,,Benzene Hexacarboxylic Acid,DB06536
1402,1402,1402,Not Available,[H][C@@](CS(=O)(=O)N1CCOCC1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,,Geneticin,DB02461
1403,1403,1403,Not Available,CC(=O)NC1=NC(=CC=N1)C1=C(C)N=C2C=CC=CN12,,Palifosfamide,DB00273
1404,1404,1404,Not Available,[H][C@](N)(C(C)C)C(=O)N1CCCC1,,"N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide",DB01763
1405,1405,1405,Not Available,CNCC1=CC=CC=C1C1=CC=CS1,,"4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",DB02651
1406,1406,1406,Not Available,[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@]([H])(C)[C@@]([H])(O)[C@@]1(OC(C)=O)C2(C)C,,9-Beta-D-Xylofuranosyl-Adenine,DB01212
1407,1407,1407,"NeoPharm is developing liposome-encapsulated, c-Raf antisense oligodeoxynucleotides (LErafAON) for the potential treatment of various solid tumors, including those that have become resistant to radiation or chemotherapy. Phase I/II trials commenced in March 2001 and were ongoing as of June 2003.",,,2-Butanol,DB08822
1408,1408,1408,Not Available,CC(C)C[C@H](N)P(O)(O)=O,,D-Malic acid,DB11560
1409,1409,1409,Carboprost tromethamine is a prostaglandin used to treat postpartum uterine hemorrhage due to atony when other methods of management have not been effective.,NC(CO)(CO)CO.CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,,Pinaverium,DB04152
1410,1410,1410,Not Available,OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC(O)=C(O)C(O)=C1,,Meclizine,DB02113
1411,1411,1411,Not Available,OS(=O)(=O)CCCN1CCOCC1,,Equine Botulinum Neurotoxin B Immune FAB2,DB01279
1412,1412,1412,Permethrin is an insecticide used to prevent infestation with Sarcoptes scabiei (scabies).,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1=CC(OC2=CC=CC=C2)=CC=C1,,3-Methylpyridine,DB01626
1413,1413,1413,Cabergoline is a dopamine receptor agonist used for the treatment of hyperprolactinemic conditions due to various causes.,[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2CC=C)C(=O)N(CCCN(C)C)C(=O)NCC,,"N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE",DB08345
1414,1414,1414,Fluspirilene is an antipsychotic agent used in the treatment of schizophrenia.,FC1=CC=C(C=C1)C(CCCN1CCC2(CC1)N(CNC2=O)C1=CC=CC=C1)C1=CC=C(F)C=C1,,Sevoflurane,DB02729
1415,1415,1415,Not Available,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O,,Azelaic acid,DB07966
1416,1416,1416,Inosine is a nutritional supplement touted to improve athletic performance and a drug used in vitro as a red blood cell rejuvenator for a unit of red blood cells that will be used in a clinical setting.,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC=NC2=O,,"9-(5,5-Difluoro-5-Phosphonopentyl)Guanine",DB03533
1417,1417,1417,"Doxorubicin is a medication used to treat various cancers, including AIDS-associated Kaposi's Sarcoma and metastatic cancers.",COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O,,O2-Sulfo-Glucuronic Acid,DB12218
1418,1418,1418,MK-886 is an experimental inhibitor of leukotriene synthesis.,CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1,,2-Iminiopropanoate,DB12016
1419,1419,1419,Azelaic acid is a saturated dicarboxylic acid used to treat mild to moderate acne vulgaris.,OC(=O)CCCCCCCC(O)=O,,(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID,DB03262
1420,1420,1420,Not Available,[H][C@](C)(N=C([O-])CCCC[C@]([H])(N=C(O)CN)C(O)=O)P(O)(O)=O,,[2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID,DB03827
1421,1421,1421,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C(F)=C1F,,Paricalcitol,DB06013
1422,1422,1422,"CA4P has been shown in the laboratory to shut down the blood supply to tumours. It is one of the first vascular targeting drugs to be tested in patients. This drug was originally isolated from the African Bush Willow. The first studies in patients with this drug were aimed at finding out whether it can be safely given to patients, what side effects it produces and whether it can actually shut down the blood supply to human tumours.",COC1=CC(=CC(OC)=C1OC)[C@@H](O)CC1=CC(O)=C(OC)C=C1,,Lomitapide,DB07237
1423,1423,1423,Not Available,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(O)C=C1)NC(=O)C1=CC=C(O)C=C1,,"9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",DB00712
1424,1424,1424,Valdecoxib is a COX-2 inhibitor used to treat osteoarthritis and dysmenorrhoea.,CC1=C(C(=NO1)C1=CC=CC=C1)C1=CC=C(C=C1)S(N)(=O)=O,,3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE,DB08296
1425,1425,1425,Not Available,[H][C@@]1(O)C(CO)=C[C@@]([H])(NCCCCCCCC)[C@]([H])(O)[C@@]1([H])O,,Lyme disease vaccine (recombinant OspA),DB03172
1426,1426,1426,Not Available,CCO[P@](O)(=O)N(CC)CC,,Aspartame,DB04112
1427,1427,1427,Not Available,[H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1,,Tamoxifen,DB11751
1428,1428,1428,"Calanolide A is a new non-nucleoside reverse transcriptase inhibitor (NNRTI) derived from a plant found in the Malaysian rain forest. A related compound, calanolide B, also has anti-HIV activity. Both drugs are being developed by Sarawak Pharmaceuticals. A preliminary dosing study among HIV-infected individuals showed a significant antiviral effect compared with placebo.",CCCC1=CC(=O)OC2=C1C1=C(C=CC(C)(C)O1)C1=C2[C@@H](O)[C@H](C)[C@@H](C)O1,,Glycocholic acid,DB09057
1429,1429,1429,"Butylamine is a colourless liquid which acquires a yellow colour upon storage in air. It is one of the four isomeric amines of butane. It is known to have the fishy, ammonia-like odor common to amines.",CCCCN,,SGN-30,DB02152
1430,1430,1430,Clobetasol propionate is a corticosteroid used to treat corticosteroid-responsive dermatoses and plaque psoriasis.,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Phenobarbital,DB03425
1431,1431,1431,Aldesleukin is a recombinant analog of interleukin-2 used to induce an adaptive immune response in the treatment of renal cell carcinoma.,,MPTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSQSIISTLT,Capsaicin,DB00581
1432,1432,1432,Pralatrexate is an antineoplastic agent used for the treatment of relapsed or refractory peripheral T-cell lymphoma.,NC1=NC2=NC=C(CC(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N=C2C(N)=N1,,Favipiravir,DB04047
1433,1433,1433,Not Available,[H][C@](N)(CCC(C)=O)C(O)=O,,"[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate",DB00484
1434,1434,1434,Not Available,ClC1=C(Cl)C2=CC=CC=C2C(=O)O1,,TG-100801,DB00894
1435,1435,1435,Not Available,[H][C@@]1(OC2=C(OC)C(OC)=CC(CC3=C(N)N=C(N)N=C3)=C2C=C1)C1CC1,,Undecyl-Beta-D-Maltopyranoside,DB07770
1436,1436,1436,Pimavanserin is a second generation atypical antipsychotic used for the treatment of hallucinations and delusions caused by Parkinson's Disease.,CC(C)COC1=CC=C(CNC(=O)N(CC2=CC=C(F)C=C2)C2CCN(C)CC2)C=C1,,"S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE",DB05944
1437,1437,1437,Cetirizine is a selective Histamine-1 antagonist drug used in allergic rhinitis and chronic urticaria.,OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,"(13R,15S)-13-METHYL-16-OXA-8,9,12,22,24-PENTAAZAHEXACYCLO[15.6.2.16,9.1,12,15.0,2,7.0,21,25]HEPTACOSA-1(24),2,4,6,17(25),18,20-HEPTAENE-23,26-DIONE",DB07552
1438,1438,1438,Becatecarin is a derivative of rebeccamycin.,CCN(CC)CCN1C(=O)C2=C(C1=O)C1=C(N([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)C3=C(Cl)C=CC=C13)C1=C2C2=C(N1)C(Cl)=CC=C2,,Sincalide,DB11584
1439,1439,1439,Not Available,OCC(O)=O,,Tertomotide,DB03518
1440,1440,1440,"Ziconotide is an N-type calcium channel antagonist used to manage patients with severe chronic pain who cannot tolerate, or who have not responded adequately to other treatments such as intrathecal morphine and systemic analgesics.",,CKGKGAKCSRLMYDCCTGSCRSGKC,Racivir,DB15303
1441,1441,1441,Not Available,CCCCCCCCCCC[P@@](O)(=O)OC,,S-Phosphocysteine,DB00413
1442,1442,1442,Burosumab is a fibroblast growth factor 23 blocking antibody used to treat X-linked hypophosphatemia.,,QVQLVQSGAEVKKPGASVKVSCKASGYTFTNHYMHWVRQAPGQGLEWMGIINPISGSTSNAQKFQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARDIVDAFDFWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Rituximab,DB16341
1443,1443,1443,Not Available,CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2,,Foreskin fibroblast (neonatal),DB02045
1444,1444,1444,Not Available,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@]1([H])NCCNCC1=CC(Cl)=CC=C1,,"(1R,2R,3R,4S,5R)-4-(Benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol",DB07144
1445,1445,1445,Arhalofenate has been investigated for the treatment of Gout and Hyperuricemia.,CC(=O)NCCOC(=O)[C@H](OC1=CC=CC(=C1)C(F)(F)F)C1=CC=C(Cl)C=C1,,2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID,DB00181
1446,1446,1446,Palbociclib is an endocrine-based chemotherapeutic agent used in combination with other antineoplastic agents to treat HER2-negative and HR-positive advanced or metastatic breast cancer.,CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2N(C2CCCC2)C1=O,,2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE,DB08701
1447,1447,1447,"Radezolid has been used in trials studying the treatment of Abscess, Bacterial Skin Diseases, Streptococcal Infections, Infectious Skin Diseases, and Staphylococcal Skin Infections, among others.",CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1,,Interferon beta-1a,DB16732
1448,1448,1448,Not Available,CC1=CC=CC(=C)[C@H]1N,,Interferon alfa,DB00985
1449,1449,1449,"ING-1 is a high-affinity, human engineered trade mark monoclonal antibody that recognizes a 40 kilodalton epithelial cell adhesion molecule (EpCAM) glycoprotein that is expressed in high levels on most adenocarcinomas. It is an attractive target for immunotherapy.",,,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide,DB03796
1450,1450,1450,Not Available,NC1=NC=NC2=C1C(=NN2C1CCCC1)C1=CC2=C(NC=C2)N=C1,,Benzylsulfonic acid,DB07053
1451,1451,1451,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)OP(O)(O)=O)[C@H]2O[V](=O)(=O)O[C@H]12,,Itopride,DB08622
1452,1452,1452,Clofibrate is a fibric acid derivative used to treat hypertriglyceridemia and high cholesterol.,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1,,gamma-Glutamylcysteine,DB03034
1453,1453,1453,Not Available,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1O,,Volinanserin,DB07648
1454,1454,1454,Not Available,OCCCNCCS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,,Alanosine,DB03137
1455,1455,1455,"Lexatumumab is a fully humanized, high-affinity immunoglobulin G(1 lambda) monoclonal antibody (mAb).",,EVQLVQSGGGVERPGGSLRLSCAASGFTFDDYGMSWVRQAPGKGLEWVSGINWNGGSTGYADSVKGRVTISRDNAKNSLYLQMNSLRAEDTAVYYCAKILGAGRGWYFDLWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Atomoxetine,DB07655
1456,1456,1456,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)C1=O,,"5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID",DB00302
1457,1457,1457,"Clomethiazole is a well-established γ-aminobutyric acid (GABAA)-mimetic drug. It is a sedative and hypnotic that is widely used in treating and preventing symptoms of acute alcohol withdrawal. It is a drug which is structurally related to thiamine (vitamin B1) but acts like a sedative, hypnotic, muscle relaxant and anticonvulsant. It is also used for the management of agitation, restlessness, short-term insomnia and Parkinson's disease in the elderly.",CC1=C(CCCl)SC=N1,,Hexestrol,DB01141
1458,1458,1458,Neratinib is a protein kinase inhibitor used to treat breast cancer that over expresses the HER2 receptor.,CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N,,Chorionic Gonadotropin (Human),DB02217
1459,1459,1459,Not Available,[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(O)CCC(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)OC,,Halcinonide,DB08180
1460,1460,1460,Not Available,[H][C@@](O)(CO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,,Ivabradine,DB03160
1461,1461,1461,Not Available,[H][C@@](COCCCCCCCC)(COP(O)(=O)OCCN)OP(O)(=O)CCCCCCC,,GTI 2040,DB09075
1462,1462,1462,"An indolizidine alkaloid from the plant Swainsona canescens that is a potent alpha-mannosidase inhibitor. Swainsonine also exhibits antimetastatic, antiproliferative, and immunomodulatory activity.",[H][C@@]1(O)CN2CCC[C@@]([H])(O)[C@]2([H])[C@]1([H])O,,Agmatine,DB09073
1463,1463,1463,Not Available,C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)C1=C(F)C=CC=C1,,Doconexent,DB05961
1464,1464,1464,"Methyltestosterone is a synthetic anabolic steroid used for the replacement therapy in conditions associated with testosterone deficiencies in males, such as hypogonadism, and treatment of advancing inoperable metastatic breast cancer in females.",[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"(4S,5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid",DB06853
1465,1465,1465,Not Available,CCNC(=O)OC,,"N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine",DB07743
1466,1466,1466,Not Available,[H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1,,Glutathione,DB07879
1467,1467,1467,"A synthetic decapeptide, water-soluble Gonadotropin-releasing hormone antagonist. It has reached phase II clinical trials.",CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,,4-Methylthio-Alpha-D-Mannose,DB06993
1468,1468,1468,Not Available,CC(C)(C1=CC=CC=C1)C1=CC=C(O)C=C1,,"(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2,3,7,20-TETRAOXOBICYCLO[19.4.0] PENTACOSANE",DB04721
1469,1469,1469,Not Available,CNCC(=O)C1=NN=C(O1)C(C)(C)C,,Efmoroctocog alfa,DB14783
1470,1470,1470,RH-1 has been used in trials studying the treatment of Advanced Solid Tumors and Non-Hodgkin's Lymphoma.,CC1=C(N2CC2)C(=O)C(CO)=C(N2CC2)C1=O,,AMG-208,DB01629
1471,1471,1471,Isoprenaline is a catecholamine non-selective beta-adrenergic agonist typically used to treat bradycardia and heart block.,CC(C)NCC(O)C1=CC(O)=C(O)C=C1,,Methylumbelliferyl chitotriose,DB04688
1472,1472,1472,"Nelotanserin has been used in trials studying the treatment of Lewy Body Dementia, Visual Hallucinations, Dementia With Lewy Bodies, and REM Sleep Behavior Disorder. It is a highly selective antagonist at the 5-HT2A serotonin receptor. It increases non-REM sleep, the most restorative phase of the sleep cycle, without sacrificing REM or dream sleep. Nelotanserin works through a mechanism of action that is different from currently marketed drugs.",COC1=CC=C(NC(=O)NC2=CC=C(F)C=C2F)C=C1C1=C(Br)C=NN1C,,Inebilizumab,DB09068
1473,1473,1473,Not Available,[H][C@@](CS)(NCC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)NCC(=O)N[C@@]([H])(C(C)C)C(=O)OC,,Sulfathiazole,DB08008
1474,1474,1474,Not Available,CCCC1=C(OCCCOC2=CC3=C(C=C2)N(CC(O)=O)C=C3)C=CC2=C1C=CC(=C2)C(=O)C1=CC=CC=C1,,Lithium cation,DB13191
1475,1475,1475,Not Available,[H][C@](O)(CNC1CCCCC1)CN1C2=C(CCCC2)C2=C1C=CC(C)=C2,,"(3,4,5-Trihydroxy-6-Hydroxymethyl-Tetrahydro-Pyran-2-Yl)-Phosphoramidic Acid Dimethyl Ester",DB08602
1476,1476,1476,Not Available,CC1=C2C(=CC=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,,Permethrin,DB11831
1477,1477,1477,Not Available,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,,Erythritol,DB03395
1478,1478,1478,Not Available,[H][C@@]1(CN=C2NC(N)=NC(=O)C2=N1)[C@@H](O)[C@H](C)O,,NS-398,DB11994
1479,1479,1479,Ranolazine is an anti-anginal drug used for the treatment of chronic angina.,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1,,Mibolerone,DB15898
1480,1480,1480,Physostigmine is a cholinesterase inhibitor used to treat glaucoma and anticholinergic toxicity.,[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC)=C1)N2C,,"N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide",DB05941
1481,1481,1481,Dipraglurant has been used in trials studying the treatment of Parkinson's Disease. It is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM).,FC1=CN2C=C(CCC#CC3=CC=CC=N3)N=C2C=C1,,"2',5'-DIDEOXY-ADENOSINE 3'-MONOPHOSPHATE",DB12540
1482,1482,1482,Not Available,OC(=O)CC1=CC=C(C=C1)[N+]([O-])=O,,Lanosterol,DB08436
1483,1483,1483,Azoxystrobin is a methoxyacrylate analog and a strobilurin fungicide.,CO\C=C(\C(=O)OC)C1=C(OC2=NC=NC(OC3=CC=CC=C3C#N)=C2)C=CC=C1,,Clotiazepam,DB02281
1484,1484,1484,Not Available,NS(=O)(=O)C1=C(F)C=CC=C1F,,alpha-L-iduronic acid,DB07337
1485,1485,1485,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3OP(O)(O)=O)[C@]([H])(O)[C@]1([H])O,,Para-Bromobenzyl Alcohol,DB03956
1486,1486,1486,Thrombin is a coagulation factor used to stop bleeding during surgery.,,MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS,Masoprocol,DB08434
1487,1487,1487,Not Available,OC(=O)CC1=CC(=CC=C1)[N+]([O-])=O,,Adamantanone,DB01701
1488,1488,1488,"A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties. Suramin is manufactured by Bayer in Germany as Germanin®.",CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O,,Thimerosal,DB01934
1489,1489,1489,Not Available,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC(=C2O)C2=CC=CC=C2)C=C1Cl,,Bictegravir,DB04851
1490,1490,1490,Not Available,OC1=CC=C(F)C=C1SCC\C=C\P(O)(O)=O,,"5,6-Cyclic-Tetrahydropteridine",DB01863
1491,1491,1491,Not Available,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,,Tubercidin,DB01357
1492,1492,1492,Not Available,[H][C@](N)(CSC(=O)CCC)C(O)=O,,Heptaethylene glycol,DB08648
1493,1493,1493,Not Available,COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC,,Elagolix,DB00999
1494,1494,1494,"Fluorometholone is an ophthalmic corticosteroid used for the relief of inflammation located in both the palpebral and bulbar conjunctiva, the cornea, and the anterior segment of the globe of the eye.",[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,,1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID,DB04277
1495,1495,1495,Not Available,CSCC[C@@H](NC(N)=O)C(O)=O,,Atezolizumab,DB00750
1496,1496,1496,Not Available,CC(C)(C)COC1=C(C=C(C=C1)N1C=C(C=N1)C(O)=O)C#N,,Carboprost tromethamine,DB02320
1497,1497,1497,Nimodipine is a calcium channel blocker used to improve neurological outcomes in patients with subarachnoid hemorrhage due to a ruptured intracranial aneurysm.,COCCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C,,Imiquimod,DB06720
1498,1498,1498,Not Available,[H][C@]1(CCCN1C(=O)CNC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Gabapentin enacarbil,DB08726
1499,1499,1499,Somapacitan is a human growth hormone analog subcutaneous injection indicated for adults with growth hormone deficiency.,,,S-Isopropyl-Isothiourea,DB01226
1500,1500,1500,Bimoclomol is an investigational drug that induces stress proteins and has cytoprotective effects.,OC(CO\N=C(/Cl)C1=CN=CC=C1)CN1CCCCC1,,Fluoxymesterone,DB06889
1501,1501,1501,Eculizumab is a recombinant humanized monoclonal antibody used to reduce the risk of hemolysis in paroxysmal nocturnal hemoglobinuria (PNH) and atypical hemolytic uremic syndrome (aHUS).,,,"2-(Biphenyl-4-Sulfonyl)-1,2,3,4-Tetrahydro-Isoquinoline-3-Carboxylic Acid",DB02529
1502,1502,1502,Not Available,[H][C@]12CC[C@]([H])(C3=C(C=CC=C13)C(F)(F)F)[C@@]2([H])N,,Ferric derisomaltose,DB00354
1503,1503,1503,Not Available,[H][C@@](C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)CCCl,,7-methyl-guanosine-5'-triphosphate,DB02766
1504,1504,1504,Not Available,CC(=O)N(Br)CCOP(O)(O)=O,,"N-(6-{[3-(4-Bromophenyl)-1,2-Benzisothiazol-6-Yl]Oxy}Hexyl)-N-Methylprop-2-En-1-Amine",DB02402
1505,1505,1505,"Ceftibuten is a third-generation cephalosporin antibiotic commonly used in the treatment of acute bacterial exacerbations of chronic bronchitis (ABECB), acute bacterial otitis media, pharyngitis, and tonsillitis.",[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O,,Poziotinib,DB00770
1506,1506,1506,Not Available,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(OCC2=CC=CC=C2)=N1,,Clofarabine,DB04053
1507,1507,1507,"Lutropin alfa is a form of recombinant human luteinizing hormone used to treat female infertility due to hypothalamic or pituitary insufficiency, or due to profound luteinizing hormone deficiency.",,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,Ziprasidone,DB03447
1508,1508,1508,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE",DB08317
1509,1509,1509,"Dasotraline is a serotonin, norepinephrine and dopamine reuptake inhibitor (SNDRI) that is under investigation for the treatment of Binge Eating Disorder, Adult Attention Hyperactivity Disorder, Attention Deficit Hyperactivity Disorder, and Adult Attention Deficit Hyperactivity Disorder.",N[C@@H]1CC[C@@H](C2=CC=C(Cl)C(Cl)=C2)C2=CC=CC=C12,,Pecavaptan,DB02505
1510,1510,1510,"(Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide is a solid. This compound belongs to the phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. This drug targets the protein S100B.",CN1CCN(CC1)C1=C(C\N=N/C(N)=S)C=CC=C1,,Thiethylperazine,DB08529
1511,1511,1511,Streptomycin is an aminoglycoside antibiotic indicated to treat multi-drug resistant mycobacterium tuberculosis and various non-tuberculosis infections.,CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O,,Gabapentin,DB07490
1512,1512,1512,Rifamycin is an antibacterial used to treat traveler's diarrhea.,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C=C(O)C4=C3C2=O,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE",DB02486
1513,1513,1513,"Pipamperone is a typical antipsychotic of the butyrophenone family used in the treatment of schizophrenia. It was developed by Janssen Pharmaceutica in 1961 and started its first round of clinical trials in 1963 11,15.",NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,,2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One,DB03658
1514,1514,1514,Specific inhibitor of phosphatidylinositol 3-kinase.,O=C1C=C(OC2=C1C=CC=C2C1=CC=CC=C1)N1CCOCC1,,Estrone sulfate,DB02361
1515,1515,1515,Not Available,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCC)C(C)(C)CO[P@]([H])(O)=O,,Vasopressin,DB03767
1516,1516,1516,"Temafloxacin is an antibiotic agent belonging to the fluoroquinolone drug class. It was first approved for use in the U.S. market in 1992, but was withdrawn shortly due to the reports of serious adverse reactions, such as allergic reactions and hemolyric anemia, resulting in three deaths.",CC1CN(CCN1)C1=C(F)C=C2C(=O)C(=CN(C2=C1)C1=C(F)C=C(F)C=C1)C(O)=O,,Inhibitor Idd 384,DB07782
1517,1517,1517,Oxytetracycline is a tetracycline antibiotic used to treat a wide variety of susceptible bacterial infections.,[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,,Omidenepag isopropyl,DB07913
1518,1518,1518,Not Available,C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Benzonatate,DB00898
1519,1519,1519,Not Available,CNC(=O)C1=CC=CC(CN2[C@H](COC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](COC3=CC=CC=C3)N(CC3=CC=CC=C3)S2(=O)=O)=C1,,Vofopitant,DB00524
1520,1520,1520,Not Available,[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1,,Aminooxyacetic acid,DB06713
1521,1521,1521,"AV608 is a NK-1 antagonist. It is developed for the treatment of Social anxiety disorder (SAD), irritable bowel syndrome (IBS) and overactive bladder (OAB).",,,1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide,DB01911
1522,1522,1522,Not Available,OC1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,,Androstanedione,DB08692
1523,1523,1523,Not Available,[H]N(O)C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,,CyanocobalaminCommonly known or available as Vitamin B12,DB02215
1524,1524,1524,"Glisoxepide is one of the sulphonamide-derived oral antidiabetic drugs. It inhibits the uptake of bile acids into isolated rat hepatocytes. However it inhibits taurocholate uptake only in the absence of sodium ions. Glisoxepide uptake could be further inhibited by blockers of the hepatocellular monocarboxylate transporter, by the loop diuretic bumetanide, by 4,4'-diisothiocyano-2,2'-stilbenedisulfonate (DIDS) and by sulphate. These results are consistent with the transport of glisoxepide via the transport system for the unconjugated bile acid cholate. 1,2",CC1=CC(=NO1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,,Fasinumab,DB02645
1525,1525,1525,Not Available,CC(C)NC1=CC2=C(C=NN2C2=NC(=CN=C2)N2C=CC(CC(O)=O)=C2)C=C1,,Indoleacetamide,DB03248
1526,1526,1526,"Lumiracoxib is a COX-2 selective non-steroidal anti-inflammatory drug (NSAID). On August 11, 2007, Australia's Therapeutic Goods Administration (TGA, the Australian equivalent of the FDA) cancelled the registration of lumiracoxib in Australia due to concerns that it may cause liver failure. New Zealand and Canada have also followed suit in recalling the drug.",CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1,,Tezampanel,DB03015
1527,1527,1527,Not Available,NC(=N)C1=CC=C2C=C(C=CC2=C1)C(=O)NC1=CC=CC=C1,,SP-876,DB03452
1528,1528,1528,Not Available,NC(=O)C1=C2C[C@H](COC2=C(F)C=C1)N(C1CCC1)C1CCC1,,Astaxanthin,DB01301
1529,1529,1529,Botulinum toxin type B is a purified form of botulinum toxin type B used to block acetylcholine release in the treatment of cervical dystonia and sialorrhea.,,MPVTINNFNYNDPIDNNNIIMMEPPFARGTGRYYKAFKITDRIWIIPERYTFGYKPEDFNKSSGIFNRDVCEYYDPDYLNTNDKKNIFLQTMIKLFNRIKSKPLGEKLLEMIINGIPYLGDRRVPLEEFNTNIASVTVNKLISNPGEVERKKGIFANLIIFGPGPVLNENETIDIGIQNHFASREGFGGIMQMKFCPEYVSVFNNVQENKGASIFNRRGYFSDPALILMHELIHVLHGLYGIKVDDLPIVPNEKKFFMQSTDAIQAEELYTFGGQDPSIITPSTDKSIYDKVLQNFRGIVDRLNKVLVCISDPNININIYKNKFKDKYKFVEDSEGKYSIDVESFDKLYKSLMFGFTETNIAENYKIKTRASYFSDSLPPVKIKNLLDNEIYTIEEGFNISDKDMEKEYRGQNKAINKQAYEEISKEHLAVYKIQMCKSVKAPGICIDVDNEDLFFIADKNSFSDDLSKNERIEYNTQSNYIENDFPINELILDTDLISKIELPSENTESLTDFNVDVPVYEKQPAIKKIFTDENTIFQYLYSQTFPLDIRDISLTSSFDDALLFSNKVYSFFSMDYIKTANKVVEAGLFAGWVKQIVNDFVIEANKSNTMDKIADISLIVPYIGLALNVGNETAKGNFENAFEIAGASILLEFIPELLIPVVGAFLLESYIDNKNKIIKTIDNALTKRNEKWSDMYGLIVAQWLSTVNTQFYTIKEGMYKALNYQAQALEEIIKYRYNIYSEKEKSNINIDFNDINSKLNEGINQAIDNINNFINGCSVSYLMKKMIPLAVEKLLDFDNTLKKNLLNYIDENKLYLIGSAEYEKSKVNKYLKTIMPFDLSIYTNDTILIEMFNKYNSEILNNIILNLRYKDNNLIDLSGYGAKVEVYDGVELNDKNQFKLTSSANSKIRVTQNQNIIFNSVFLDFSVSFWIRIPKYKNDGIQNYIHNEYTIINCMKNNSGWKISIRGNRIIWTLIDINGKTKSVFFEYNIREDISEYINRWFFVTITNNLNNAKIYINGKLESNTDIKDIREVIANGEIIFKLDGDIDRTQFIWMKYFSIFNTELSQSNIEERYKIQSYSEYLKDFWGNPLMYNKEYYMFNAGNKNSYIKLKKDSPVGEILTRSKYNQNSKYINYRDLYIGEKFIIRRKSNSQSINDDIVRKEDYIYLDFFNLNQEWRVYTYKYFKKEEEKLFLAPISDSDEFYNTIQIKEYDEQPTYSCQLLFKKDEESTDEIGLIGIHRFYESGIVFEEYKDYFCISKWYLKEVKRKPYNLKLGCNWQFIPKDEGWTE,Oportuzumab monatox,DB05407
1530,1530,1530,Not Available,FC(F)(F)C1=CC=CC(NC2=NC(NC3=CC(NC(=O)C4CC4)=CC=C3)=NC=C2)=C1,,Nelfinavir,DB05131
1531,1531,1531,Not Available,[H][C@@]1(O)OC2=C(C=CC(OC)=C2)N(O)C1=O,,Enzastaurin,DB03128
1532,1532,1532,"Pamidronic acid is a bisphosphonate used to treat Paget's disease, to treat hypercalcemia of malignancy, and to treat osteolytic bone lesions.",NCCC(O)(P(O)(O)=O)P(O)(O)=O,,"3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile",DB04016
1533,1533,1533,Not Available,[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCC1=CC=CC=C1,,"Rabies immune globulin, human",DB02442
1534,1534,1534,Not Available,C[C@]1(OP(O)(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,"2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE",DB06949
1535,1535,1535,"Dexamethasone is a glucocorticoid available in various modes of administration that is used for the treatment of various inflammatory conditions, including bronchial asthma, as well as endocrine and rheumatic disorders.",[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Nelotanserin,DB01277
1536,1536,1536,Not Available,CC(=O)N[C@@H](CC1=CC=C(OCC(O)=O)C(=C1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,MB07811,DB14540
1537,1537,1537,Not Available,[H][C@@](CCCNC(N)N)(NC(=O)[C@@]([H])(NC(=O)CCC(C)C)C(C)C)C(=O)C1=NC=CS1,,Varlitinib,DB03442
1538,1538,1538,Not Available,CC1(C)OC[C@H](COP(O)(=O)CCCCC=C)O1,,6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID,DB06736
1539,1539,1539,Rimegepant is an oral CGRP receptor antagonist used for the acute treatment of migraines with or without aura in adults.,N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N2C(=O)NC3=NC=CC=C23)C2=C1C=CC=N2)C1=C(F)C(F)=CC=C1,,Tyrosyladenylate,DB03151
1540,1540,1540,Not Available,COC(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=CC(CN)=C1,,Etrasimod,DB01235
1541,1541,1541,"Synthetic Conjugated Estrogens, B is a mixture of estrogens used to treat a variety of postmenopausal symptoms, including vaginal dryness.",,,N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine,DB08553
1542,1542,1542,Ibritumomab tiuxetan is a monoclonal anti-CD20 antibody used to treat B-cell non-Hodgkin's lymphoma via a conjugated radioactive isotope.,,QAYLQQSGAELVRPGASVKMSCKASGYTFTSYNMHWVKQTPRQGLEWIGAIYPGNGDTSYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYFCARVVYYSNSYWYFDVWGTGTTVTVSAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIKPCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEEMTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHTTKSFSR,Rauwolfia serpentina root,DB00626
1543,1543,1543,Not Available,[H]N([H])C1=NC(=O)C2=C(N([H])C=C2CCC2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC2=NN([H])N=N2)C(O)=O)N1[H],,"2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",DB07858
1544,1544,1544,"Mepyramine is an antihistamine agent used for the symptomatic treatment of allergy, hypersensitivity reactions, and pruritic skin disorders.",COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1,,Icatibant,DB02693
1545,1545,1545,Not Available,[H]\C(C)=C(/N)CCC(O)=O,,"1,2-Dipalmitoyl-Phosphatidyl-Glycerole",DB09019
1546,1546,1546,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Camptothecin,DB00458
1547,1547,1547,Not Available,[H][C@](C)(C[C@@]([H])(C)C1=CC=CC=C1)C[C@]1([H])CCCCN1C,,FG-9041,DB08215
1548,1548,1548,Not Available,N[C@@H](CCCCNC(N)=N)C(O)=O,,N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID,DB08749
1549,1549,1549,Not Available,[H][C@]1(CO)CC2=CC=C(C=C2CN1)[N+]([O-])=O,,(S)-Rolipram,DB09535
1550,1550,1550,"Rilonacept is an IL-1 inhibitor used to treat cryopyrin-associated periodic syndrome, a rare hereditary inflammatory disorder.",,SERCDDWGLDTMRQIQVFEDEPARIKCPLFEHFLKFNYSTAHSAGLTLIWYWTRQDRDLEEPINFRLPENRISKEKDVLWFRPTLLNDTGNYTCMLRNTTYCSKVAFPLEVVQKDSCFNSPMKLPVHKLYIEYGIQRITCPNVDGYFPSSVKPTITWYMGCYKIQNFNNVIPEGMNLSFLIALISNNGNYTCVVTYPENGRTFHLTRTLTVKVVGSPKNAVPPVIHSPNDHVVYEKEPGEELLIPCTVYFSFLMDSRNEVWWTIDGKKPDDITIDVTINESISHSRTEDETRTQILSIKKVTSEDLKRSYVCHARSAKGEVAKAAKVKQKVPAPRYTVEKCKEREEKIILVSSANEIDVRPCPLNPNEHKGTITWYKDDSKTPVSTEQASRIHQHKEKLWFVPAKVEDSGHYYCVVRNSSYCLRIKISAKFVENEPNLCYNAQAIFKQKLPVAGDGGLVCPYMEFFKNENNELPKLQWYKDCKPLLLDNIHFSGVKDRLIVMNVAEKHRGNYTCHASYTYLGKQYPITRVIEFITLEENKPTRPVIVSPANETMEVDLGSQIQLICNVTGQLSDIAYWKWNGSVIDEDDPVLGEDYYSVENPANKRRSTLITVLNISEIESRFYKHPFTCFAKNTHGIDAAYIQLIYPVTNSGDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Amoxicillin,DB02289
1551,1551,1551,Prilocaine is a local anesthetic used in dental procedures.,CCCNC(C)C(=O)NC1=CC=CC=C1C,,AZD 3355,DB14067
1552,1552,1552,Siponimod is a medication used to treat relapsing multiple sclerosis.,CCC1=CC(=CC=C1CN1CC(C1)C(O)=O)C(\C)=N\OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F,,Thonzylamine,DB02221
1553,1553,1553,Not Available,[H][C@@](C)(O)[C@]12NC3=NC(C)=NC=C3CN1C(C)=C(CCOP(O)(=O)OP(O)(O)=O)S2,,Codeine,DB08347
1554,1554,1554,Not Available,[H][C@]1(C)CNC2=C(C1)C=CC=C2S(=O)=O,,INS 316,DB04585
1555,1555,1555,Not Available,[H][C@@](NS(=O)(=O)C1=CC(C)=C(F)C=C1)(C1CCOCC1)C(=O)NO,,"(2r,4s)-2-Methyl-2,3,3,4-Tetrahydroxytetrahydrofuran",DB06930
1556,1556,1556,Not Available,CC1=CC=CC=C1C1=NNC(=S)N1N,,GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE,DB00533
1557,1557,1557,Not Available,[H]N(C[C@@H](O)CN([H])S(=O)(=O)C1=CC=CC=N1)C(=O)[C@H](CC(C)C)C1=CC=CC(=C1)C1=CC=CC=C1,,"(2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE",DB02060
1558,1558,1558,"Prednisolone acetate is a glucocorticoid used to treat a wide variety of endocrine, inflammatory, and immune conditions as well as for palliation of neoplastic conditions.",[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide,DB02260
1559,1559,1559,Antazoline is an antihistamine agent used for the symptomatic treatment of nasal congestion and allergic conjunctivitis.,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1,,Nadroparin,DB08043
1560,1560,1560,Not Available,N[C@@H](CC1=CC=C(O)C(I)=C1)C(O)=O,,VX-148,DB07060
1561,1561,1561,Not Available,[H][C@@](N)(C(=O)N1CCC(F)(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CN2N=CN=C2C=C1,,M0002,DB06546
1562,1562,1562,"Panitumumab is a recombinant humanized monoclonal antibody used to treat EGFR-expressing, metastatic colorectal carcinoma that is refractory to fluoropyrimidine-, oxaliplatin-, and irinotecan- containing chemotherapy regimens.",,,2-Chlorodideoxyadenosine,DB07802
1563,1563,1563,Not Available,COC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(=O)NO,,N-[(Aminooxy)Carbonyl]Aniline,DB02624
1564,1564,1564,A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Feruloyl Coenzyme A,DB08363
1565,1565,1565,"Trifluoperazine is a phenothiazine used to treat depression, anxiety, and agitation.",CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,,Potassium cation,DB00355
1566,1566,1566,"Developed by the German pharmaceutical company, Merckle GmbH, together with EuroAlliance partners Alfa Wassermann and Lacer, licofelone (ML3000) is a dual COX/LOX inhibitor and the first member of this new class of analgesic and anti-inflammatory drugs. It is currently under evaluation as a treatment for osteoarthritis (OA), the most common form of arthritis. Although phase III trials have been successfully completed in OA patients no dates for regulatory submission have yet been given.",CC1(C)CN2C(CC(O)=O)=C(C(=C2C1)C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,Estetrol,DB13167
1567,1567,1567,Nilutamide is an antineoplastic hormone used to treat prostate cancer.,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,,Morphine,DB03126
1568,1568,1568,Not Available,[H][C@](C)(NC(=O)C1=C(C)C=CC(N)=C1)C1=CC=CC2=C1C=CC=C2,,Butenafine,DB07927
1569,1569,1569,OPB-111077 is a novel inhibitor of STAT3 and mitochondrial oxidative phosphorylation. It has demonstrated promising anticancer activity in preclinical models.,,,Testolactone,DB14924
1570,1570,1570,Not Available,[H]N([H])[C@@]([H])(O)O[C@]1([H])CC2=CC=CC=C2[C@]1([H])[C@]1([H])CN([H])[C@@](CC2=CC=CC=C2)(CC([H])(O)C([H])(CC2=CC=CC=C2)N([H])C(=O)O[C@@]2([H])CCOC2)C1=O,,D-Mannuronic Acid,DB02110
1571,1571,1571,Not Available,[H][C@]12CC[C@]3(C)C(=O)N(CC4=CC=CN=C4)C(=O)C[C@@]3([H])[C@]1([H])CCC1=C2C=CC(OS(N)(=O)=O)=C1,,Acetophenone,DB03230
1572,1572,1572,Etonogestrel is a long-acting synthetic derived progestin contraceptive used in various devices such as contraceptive rings and intradermal implants.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,Chlorzoxazone,DB03075
1573,1573,1573,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N(C)C,,Phosphoaspartate,DB14776
1574,1574,1574,Not Available,[H][C@@]1(O)C[C@@]([H])(O[C@]2([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(OCCCCCCCC)O[C@]1([H])CO,,5-Aminouracil,DB02844
1575,1575,1575,Doramapimod is a P38 MAP kinase inhibitor.,CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NC1=CC=C(OCCN2CCOCC2)C2=C1C=CC=C2)C(C)(C)C,,Ipratropium,DB03986
1576,1576,1576,"Cyproheptadine is a combined serotonin and histamine antagonist used in the treatment of allergic symptoms, for appetite stimulation, and off-label in the treatment of serotonin syndrome.",CN1CCC(CC1)=C1C2=CC=CC=C2C=CC2=CC=CC=C12,,Haloperidol,DB02743
1577,1577,1577,Flutamide is an antiandrogen used for locally confined stage B2-C and D-2 metastatic prostate carcinoma.,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,,"2-Methyl-2-propanyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate",DB03597
1578,1578,1578,Not Available,O[C@@H]1CO[C@H](SC[C@H]2O[C@@H](OC3=CC=C(C=C3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O,,Zinc chloride,DB02728
1579,1579,1579,Not Available,OC(=O)C1=CC=C(O1)C1=CC=CC=C1C(F)(F)F,,OSI-930,DB00361
1580,1580,1580,Daunorubicin is an anthracycline aminoglycoside used to induce remission of nonlymphocytic leukemia and acute lymphocytic leukemia.,COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C(C)=O)C(O)=C1C2=O,,PAS219,DB07322
1581,1581,1581,"Oxogluric acid (α-Ketoglutarate) is not approved for any indication in the world but is an investigational drug in the United States. In the United States a phase I clinical trial is investigating whether oxogluric acid precursors found in nutritional supplements can benefit patients with the metabolic disorder propionic acidemia. Oxogluric acid is sold as a dietary supplement to athletes to improve their performance by helping to remove excess ammonia, but it is not officially approved for this indication and only experimental studies have shown a reduction in ammonia by oxogluric acid in hemodialysis patients. Physiologically, oxogluric acid acts in the Krebs cycle as an intermediate, is involved in transamination reactions during the metabolism of amino acids, forms glutamic acid by combining with ammonia, and reduces nitrogen by combining with it as well. Several experimental studies have also shown that administration of oxogluric acid helped attenuate the decreased synthesis of muscle protein that is often seen post-surgery.",OC(=O)CCC(=O)C(O)=O,,Diethyl 4-Methylbenzylphosphonate,DB03394
1582,1582,1582,Not Available,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCC2)OC1=O,,Beta-D-Glucose,DB06888
1583,1583,1583,"Used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative.",OP(O)(=O)OP(O)(=O)OP(O)(O)=O,,2-(2-{2-[2-(2-Methoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol,DB06233
1584,1584,1584,Nefazodone is an antidepressant used in the treatment of depression.,CCC1=NN(CCCN2CCN(CC2)C2=CC(Cl)=CC=C2)C(=O)N1CCOC1=CC=CC=C1,,Pramipexole,DB01414
1585,1585,1585,Not Available,FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl,,N-Methyl-N-(Methylbenzyl)Formamide,DB01271
1586,1586,1586,Not Available,N#CC1=C2N=C(NCC3CCCCC3)N=C(NC3=CC=CC=C3)N2N=C1,,Cyclo(prolylglycyl),DB00184
1587,1587,1587,"Tecadenoson is a novel selective A1 adenosine receptor agonist that is currently being evaluated for the conversion of paroxysmal supraventricular tachycardia (PSVT) to sinus rhythm. It is being developed by CV Therapeutics, Inc.",OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N[C@@H]3CCOC3)N=CN=C12,,Labetuzumab,DB07759
1588,1588,1588,Granisetron is a 5HT3 antagonist used to treat nausea and vomiting in cancer therapy and postoperatively.,CN1N=C(C(=O)N[C@@H]2C[C@@H]3CCC[C@H](C2)N3C)C2=C1C=CC=C2,,Nicotinamide adenine dinucleotide phosphate,DB02020
1589,1589,1589,"FavId, is an active immunotherapy that is based upon unique genetic information extracted from a patient's tumor.",,,Trifluoroethanol,DB04527
1590,1590,1590,Not Available,NC1=NNC2=C1C=C(N=N2)C1=C2C=CC=CN2N=C1C1=CC=CC=C1,,CTA018,DB04633
1591,1591,1591,Collagenase clostridium histolyticum is a collagenase enzyme used to promote debridement of necrotic tissue in burns and skin ulcers as well as to treat Dupuytren's contracture and Peyronie's disease.,,MKRKCLSKRLMLAITMATIFTVNSTLPIYAAVDKNNATAAVQNESKRYTVSYLKTLNYYDLVDLLVKTEIENLPDLFQYSSDAKEFYGNKTRMSFIMDEIGRRAPQYTEIDHKGIPTLVEVVRAGFYLGFHNKELNEINKRSFKERVIPSILAIQKNPNFKLGTEVQDKIVSATGLLAGNETAPPEVVNNFTPILQDCIKNIDRYALDDLKSKALFNVLAAPTYDITEYLRATKEKPENTPWYGKIDGFINELKKLALYGKINDNNSWIIDNGIYHIAPLGKLHSNNKIGIETLTEVMKVYPYLSMQHLQSADQIKRHYDSKDAEGNKIPLDKFKKEGKEKYCPKTYTFDDGKVIIKAGARVEEEKVKRLYWASKEVNSQFFRVYGIDKPLEEGNPDDILTMVIYNSPEEYKLNSVLYGYDTNNGGMYIEPEGTFFTYEREAQESTYTLEELFRHEYTHYLQGRYAVPGQWGRTKLYDNDRLTWYEEGGAELFAGSTRTSGILPRKSIVSNIHNTTRNNRYKLSDTVHSKYGASFEFYNYACMFMDYMYNKDMGILNKLNDLAKNNDVDGYDNYIRDLSSNYALNDKYQDHMQERIDNYENLTVPFVADDYLVRHAYKNPNEIYSEISEVAKLKDAKSEVKKSQYFSTFTLRGSYTGGASKGKLEDQKAMNKFIDDSLKKLDTYSWSGYKTLTAYFTNYKVDSSNRVTYDVVFHGYLPNEGDSKNSLPYGKINGTYKGTEKEKIKFSSEGSFDPDGKIVSYEWDFGDGNKSNEENPEHSYDKVGTYTVKLKVTDDKGESSVSTTTAEIKDLSENKLPVIYMHVPKSGALNQKVVFYGKGTYDPDGSIAGYQWDFGDGSDFSSEQNPSHVYTKKGEYTVTLRVMDSSGQMSEKTMKIKITDPVYPIGTEKEPNNSKETASGPIVPGIPVSGTIENTSDQDYFYFDVITPGEVKIDINKLGYGGATWVVYDENNNAVSYATDDGQNLSGKFKADKPGRYYIHLYMFNGSYMPYRINIEGSVGR,(3-Chloro-4-Propoxy-Phenyl)-Acetic Acid,DB03079
1592,1592,1592,Finasteride is an antiandrogenic compound that is used for the treatment of symptomatic benign prostatic hyperplasia (BPH) and male pattern hair loss in adult males by inhibiting Type II 5-alpha reductase.,[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C,,Vinylglycine,DB05092
1593,1593,1593,"An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.",OCCC1=CC=CC=C1,,Ofatumumab,DB04954
1594,1594,1594,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OCCCCCCCCCCCC)O[C@]2([H])CO)[C@]1([H])O,,Ethyl-Carbamic Acid Methyl Ester,DB09027
1595,1595,1595,Not Available,[H][C@@]1(CC2=CC(OCCCC)=C(OC)C=C2)CNC(=O)N1,,2-Oxobutanoic Acid,DB00206
1596,1596,1596,Not Available,OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=C1,,Lonoctocog alfa,DB04532
1597,1597,1597,Not Available,CC(C)C[C@@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)NC(=O)C1=CC=C(N)C=C1,,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL",DB05459
1598,1598,1598,"Carbendazim has been used in trials studying the treatment of Lymphoma and Unspecified Adult Solid Tumor, Protocol Specific.",COC(=O)NC1=NC2=CC=CC=C2N1,,D-Allopyranose,DB03727
1599,1599,1599,A combination of docosahexaenoic Acid (a natural fatty acid) and paclitaxel (an anticancer drug) being studied in the treatment of cancer. It is a type of mitotic inhibitor.,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@]3([H])[C@@](C)([C@@H](O)C[C@@]4([H])OC[C@@]34OC(=O)C)C(=O)[C@H](OC(=O)C)C(=C1C)C2(C)C)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1,,5-fluorouridine,DB05739
1600,1600,1600,"Lomitapide is a microsomal triglyceride transfer protein inhibitor used to lower cholesterol associated with homozygous familial hypercholesterolemia (HoFH), reducing risk of cardiovascular events such as myocardial infarction and stroke.",FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12,,3-(P-Tolyl)Propionic Acid,DB00112
1601,1601,1601,Not Available,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C,,2-(Phosphonooxy)Butanoic Acid,DB08112
1602,1602,1602,Reboxetine is a drug used for the acute treatment of major depression and for maintenance therapy of depression.,[H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1,,"(2R)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DB08607
1603,1603,1603,Filgrastim is a form of recombinant human granulocyte colony stimulating factor used to induce the production of granulocytes and lower infection risk after myelosuppressive therapy.,,MTPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWAPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQP,"5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE",DB07804
1604,1604,1604,A spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1.,[H][C@@]1(NC(=O)C2(CCN(CC3=CC=C(OC4=CC=C(C=C4)C(O)=O)C=C3)CC2)N(CCCC)C1=O)[C@H](O)C1CCCCC1,,"4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID",DB09089
1605,1605,1605,"Canakinumab is an interleukin-1β blocker used to treat Periodic Fever Syndromes such as Cryopyrin-Associated Periodic Syndromes (CAPS) and Familial Mediterranean Fever (FMF), and also to treat active Systemic Juvenile Idiopathic Arthritis (SJIA).",,QVQLVESGGGVVQPGRSLRLSCAASGFTFSVYGMNWVRQAPGKGLEWVAIIWYDGDNQYYADSVKGRFTISRDNSKNTLYLQMNGLRAEDTAVYYCARDLRTGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine",DB08294
1606,1606,1606,Not Available,O[C@H]1CO[C@@H](C[C@@H]1O)C(O)=O,,5-methylbenzimidazole,DB01177
1607,1607,1607,Not Available,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C([NH3+])N=CN=C13)C1=NC(=O)NC(=O)C1=N2,,Cangrelor,DB02043
1608,1608,1608,Not Available,C[N+](C)(C)CCCC[C@H](N)C(O)=O,,Captodiame,DB02322
1609,1609,1609,Histidine is an amino acid commonly found as a component of total parenteral nutrition.,N[C@@H](CC1=CNC=N1)C(O)=O,,INCB7839,DB14740
1610,1610,1610,Not Available,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1,,6-Hydroxy-6-Methyl-Heptan-3-One,DB07234
1611,1611,1611,Fotemustine is an alkylating agent used in the treatment of metastatic melanoma.,CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O,,Tesaglitazar,DB08405
1612,1612,1612,Not Available,,,RDEA806,DB08133
1613,1613,1613,Linifanib (ABT-869) is a small molecule vascular endothelial growth factor (VEGF) receptor-based kinase inhibitor that is designed to suppress tumor growth by preventing the formation of new blood vessels that supply the tumor with oxygen and nutrients and by inhibiting key angiogenic signaling pathways. Linifanib is intended for the treatment of hematologic malignancies and the solid tumors.,CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3C(N)=NNC3=CC=C2)=C(F)C=C1,,Citrulline,DB02087
1614,1614,1614,"WF10 is a chlorite-based, immunomodulating drug is developed by Nuvo Research Inc. Certain preclinical evidence and clinical pilot data suggest that WF10 may be effective in treating certain cancers. The Corporation believes the research to-date demonstrates that WF10 acts on macrophages (a type of white blood cell) by modulating the balance between inflammation and phagocytosis, a state in which the body digests foreign, potentially harmful substances. The Corporation has commenced a Phase II clinical trial in an effort to demonstrate the efficacy of WF10 in combination with Xeloda (capecitabine) in the treatment of pancreatic cancer. The trial is being conducted in Germany at the University of Heidelberg and the National Centre for Tumor Diseases.",O.O=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O.[O-][Cl]=O,,Gabexate,DB06893
1615,1615,1615,Not Available,OC(=O)C1=CC=CC=C1NC1CCCCC1,,Novo Nordisk a/S Compound,DB07445
1616,1616,1616,Not Available,CCN1C(=O)C2=C(NN=C2C)C2=C1C=CC=C2,,"2,6-Diamino-8-Propylsulfanylmethyl-3h-Quinazoline-4-One",DB00669
1617,1617,1617,Not Available,[H][C@]1(CSC)O[C@@]([H])(N2C=CC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,LetibotulinumtoxinA,DB04807
1618,1618,1618,Dihydroergotamine is an ergot alkaloid used in the acute treatment of migraine headache and cluster headache.,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O,,N5-Methylglutamine,DB08697
1619,1619,1619,Not Available,CC1=C(C=CO1)C(=S)NC1=CC(\C=N\OC(C)(C)C)=C(Cl)C=C1,,Lutropin alfa,DB07199
1620,1620,1620,"C-101, also called Myodur, is developed for the treatment of Duchenne’s muscular dystrophy (DMD) which is a morbid genetic disease that can lead to death in late adolescence due to accelerated skeletal muscle breakdown. C-101 includes a carnitine carrier molecule and a leupeptin analogue, a known calpain inhibitor. Calpain is the primary protease that degrades skeletal muscle.",CCOC(OCC)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)N[C@H](CC([O-])=O)C[N+](C)(C)C,,PRX-07034,DB06258
1621,1621,1621,Not Available,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,,Capreomycin,DB00901
1622,1622,1622,Apricitabine has been used in trials studying the treatment of HIV Infections.,NC1=NC(=O)N(C=C1)[C@H]1CO[C@@H](CO)S1,,(2R)-3-Methyl-1-phenyl-2-butanyl [(2S)-1-oxo-2-hexanyl]carbamate,DB08200
1623,1623,1623,Hydrocodone is an opioid agonist used as an analgesic and antitussive agent.,[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,,"3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER",DB07049
1624,1624,1624,Morphine is an opioid agonist used for the relief of moderate to severe acute and chronic pain.,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,,Candoxatril,DB11949
1625,1625,1625,Not Available,[H]S[C@@H](N([H])C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(C#N)C(=O)N([H])[H],,Mirvetuximab soravtansine,DB03136
1626,1626,1626,Zopiclone is a nonbenzodiazepine hypnotic used for the short-term management of insomnia.,CN1CCN(CC1)C(=O)OC1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,,2'-Deoxyuridine,DB11611
1627,1627,1627,Not Available,[H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H],,6-(Dihydroxy-Isobutyl)-Thymine,DB05882
1628,1628,1628,"Efanesoctocog alfa is a recombinant DNA-derived, Factor VIII concentrate indicated for routine prophylaxis, on-demand treatment and control of bleeding episodes, and perioperative management of bleeding in patients with hemophilia A.",,ATRRYYLGAVELSWDYMQSDLGELPVDARFPPRVPKSFPFNTSVVYKKTLFVEFTDHLFNIAKPRPPWMGLLGPTIQAEVYDTVVITLKNMASHPVSLHAVGVSYWKASEGAEYDDQTSQREKEDDKVFPGGSHTYVWQVLKENGPMASDPLCLTYSYLSHVDLVKDLNSGLIGALLVCREGSLAKEKTQTLHKFILLFAVFDEGKSWHSETKNSLMQDRDAASARAWPKMHTVNGYVNRSLPGLIGCHRKSVYWHVIGMGTTPEVHSIFLEGHTFLVRNHRQASLEISPITFLTAQTLLMDLGQFLLFCHISSHQHDGMEAYVKVDSCPEEPQLRMKNNEEAEDYDDDLTDSEMDVVRFDDDNSPSFIQIRSVAKKHPKTWVHYIAAEEEDWDYAPLVLAPDDRSYKSQYLNNGPQRIGRKYKKVRFMAYTDETFKTREAIQHESGILGPLLYGEVGDTLLIIFKNQASRPYNIYPHGITDVRPLYSRRLPKGVKHLKDFPILPGEIFKYKWTVTVEDGPTKSDPRCLTRYYSSFVNMERDLASGLIGPLLICYKESVDQRGNQIMSDKRNVILFSVFDENRSWYLTENIQRFLPNPAGVQLEDPEFQASNIMHSINGYVFDSLQLSVCLHEVAYWYILSIGAQTDFLSVFFSGYTFKHKMVYEDTLTLFPFSGETVFMSMENPGLWILGCHNSDFRNRGMTALLKVSSCDKNTGDYYEDSYEDISAYLLSKNNAIEPRSFSQNGTSESATPESGPGSEPATSGSETPGTSESATPESGPGSEPATSGSETPGTSESATPESGPGTSTEPSEGSAPGSPAGSPTSTEEGTSESATPESGPGSEPATSGSETPGTSESATPESGPGSPAGSPTSTEEGSPAGSPTSTEEGTSTEPSEGSAPGTSESATPESGPGTSESATPESGPGTSESATPESGPGSEPATSGSETPGSEPATSGSETPGSPAGSPTSTEEGTSTEPSEGSAPGTSTEPSEGSAPGSEPATSGSETPGTSESATPESGPGTSTEPSEGSAPASSEITRTTLQSDQEEIDYDDTISVEMKKEDFDIYDEDENQSPRSFQKKTRHYFIAAVERLWDYGMSSSPHVLRNRAQSGSVPQFKKVVFQEFTDGSFTQPLYRGELNEHLGLLGPYIRAEVEDNIMVTFRNQASRPYSFYSSLISYEEDQRQGAEPRKNFVKPNETKTYFWKVQHHMAPTKDEFDCKAWAYFSDVDLEKDVHSGLIGPLLVCHTNTLNPAHGRQVTVQEFALFFTIFDETKSWYFTENMERNCRAPCNIQMEDPTFKENYRFHAINGYIMDTLPGLVMAQDQRIRWYLLSMGSNENIHSIHFSGHVFTVRKKEEYKMALYNLYPGVFETVEMLPSKAGIWRVECLIGEHLHAGMSTLFLVYSNKCQTPLGMASGHIRDFQITASGQYGQWAPKLARLHYSGSINAWSTKEPFSWIKVDLLAPMIIHGIKTQGARQKFSSLYISQFIIMYSLDGKKWQTYRGNSTGTLMVFFGNVDSSGIKHNIFNPPIIARYIRLHPTHYSIRSTLRMELMGCDLNSCSMPLGMESKAISDAQITASSYFTNMFATWSPSKARLHLQGRSNAWRPQVNNPKEWLQVDFQKTMKVTGVTTQGVKSLLTSMYVKEFLISSSQDGHQWTLFFQNGKVKVFQGNQDSFTPVVNSLDPPLLTRYLRIHPQSWVHQIALRMEVLGCEAQDLYDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide,DB07022
1629,1629,1629,Not Available,CS(=O)(=O)NC1=CC=CC2=C1N=CC=C2,,BX-528,DB07057
1630,1630,1630,Cytisine is an alkaloid with partial agonist activity at the α4β2 nicotinic acetylcholine receptor used to aid smoking cessation.,[H][C@@]12CNC[C@@]([H])(C1)C1=CC=CC(=O)N1C2,,"Ara-Alpha(1,3)-Xyl",DB02131
1631,1631,1631,"Naveglitazar has been used in trials studying the treatment of Diabetes Mellitus, Non-Insulin-Dependent.",CO[C@@H](CC1=CC=C(OCCCOC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1)C(O)=O,,Phosphoglycolohydroxamic Acid,DB15935
1632,1632,1632,Not Available,CC1=C(C=CC=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,,5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE,DB00179
1633,1633,1633,Not Available,O=C1NC=NC2=C1C1=C(CCCC1)S2,,KW-6356,DB00472
1634,1634,1634,Clozapine is an atypical or second-generation antipsychotic drug used in treatment-resistant schizophrenia and to decrease suicide risk in schizophrenic patients.,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2=CC=CC=C12,,Nicotinamide,DB08046
1635,1635,1635,Moricizine is an antiarrhythmic used to treat arrhythmias.,CCOC(=O)NC1=CC2=C(SC3=CC=CC=C3N2C(=O)CCN2CCOCC2)C=C1,,"(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate",DB06089
1636,1636,1636,Not Available,[H][C@](CC([O-])=O)(C(O)=O)C1=CC(C2=NC3=C(N2)C=C(C=C3)C(N)=N)=C([O-])C(Br)=C1,,BV2,DB04539
1637,1637,1637,Soybean oil is an oil used as a source of calories and essential fatty acids in selected patients for total parenteral nutrition (TPN) therapy and prevention of essential fatty acid deficiency.,,,Cmp-2-Keto-3-Deoxy-Octulosonic Acid,DB06152
1638,1638,1638,"Rosoxacin is a quinolone derivative antibiotic for the treatment of bacterial infection of respiratory tract, urinary tract, GI, CNS and immuno compromised patients. Rosoxacin is known to be effective against penicillin resistant strains and is a single dose orally administered drug, which avoids all complications of parenteral administration seen with penicillin, especially anaphylactic shock.",CCN1C=C(C(O)=O)C(=O)C2=C1C=C(C=C2)C1=CC=NC=C1,,Butyramide,DB04872
1639,1639,1639,Not Available,CN(C)CC1=CNC2=C1C=CC=C2CCCO,,Zeranol,DB07496
1640,1640,1640,Levobetaxolol is a beta-blocker used to lower the pressure in the eye to treat conditions such as glaucoma. It was marketed as a 0.5% ophthalmic solution of levobetaxolol hydrochloride under the trade name Betaxon but has been discontinued.,CC(C)NC[C@H](O)COC1=CC=C(CCOCC2CC2)C=C1,,Alclofenac,DB00714
1641,1641,1641,Not Available,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O,,Betaine aldehyde,DB06410
1642,1642,1642,"Tolrestat (INN) (AY-27773) is an aldose reductase inhibitor which was approved for the control of certain diabetic complications. While it was approved for marketed in several countries, it failed a Phase III trial in the U.S. due to toxicity and never received FDA approval. It was sold under the tradename Alredase but was discontinued by Wyeth in 1997 because of the risk of severe liver toxicity and death.",COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F,,Inositol nicotinate,DB00107
1643,1643,1643,Not Available,NS(=O)(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,,Siltuximab,DB16343
1644,1644,1644,Dihydroergocornine is a nootropic with an unknown mechanism of action indicated in individuals over sixty who manifest signs and symptoms of an idiopathic decline in mental capacity.,[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,,{4-[(2S)-2-({[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}amino)-3-oxo-3-(pentylamino)propyl]phenoxy}malonic acid,DB06944
1645,1645,1645,Not Available,C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)[C@H]1O,,"3-carboxamido-1,3,5(10)-estratrien-17(R)-spiro-2'(5',5'-dimethyl-6'oxo)tetrahydropyran",DB07645
1646,1646,1646,"Banoxantrone is a highly selective bioreductive drug that is activated in, and is preferentially toxic to, hypoxic cells in tumours. It has been shown to work synergistically with fractionated radiation to significantly delay growth of tumours compared to administration of either banoxantrone or radiation alone. Banoxantrone was also efficacious in tumour models when administered in combination with either cisplatin or chemoradiation. 5",C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,,Risankizumab,DB02005
1647,1647,1647,Not Available,N[C@@H](CC1=CC(=O)C(O)=CC1=O)C(O)=O,,4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE,DB00404
1648,1648,1648,Nepafenac is an ophthalmic NSAID used for the symptomatic treatment of pain and inflammation associated with cataract surgery.,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N,,Quinestrol,DB02630
1649,1649,1649,Not Available,CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@@H]3C[C@H](O)[C@@H](O[C@H]4CCC(=O)[C@@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)C2=C(O)C3=C(C=C2C1)C(=O)C1=C(C(O)=CC=C1)C3=O,,Theophylline,DB08278
1650,1650,1650,"Tributyrin has been used in trials studying the treatment of Prostate Cancer and Unspecified Adult Solid Tumor, Protocol Specific.",CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,,"(1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE",DB03788
1651,1651,1651,Drotrecogin alfa is a form of recombinant activated human protein C used to reduce mortality in patients with severe sepsis by inhibiting coagulation Factors V and VIII.,,LIDGKMTRRGDSPWQVVLLDSKKKLACGAVLIHPSWVLTAAHCMDESKKLLVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKSTTDNDIALLHLAQPATLSQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRTFVLNFIKIPVVPHNECSEVMSNMVSENMLCAGILGDRQDACEGDSGGPMVASFHGTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRDKEAPQKSWAP,Deoxycholic acid,DB02019
1652,1652,1652,"Camidanlumab tesirine is under investigation in clinical trial NCT04639024 (ADCT-301 in Patients With R/R AML, MDS, or MDS/MPN).",,,Solabegron,DB00195
1653,1653,1653,Not Available,CC(C)=CCN1C=NC(N)=C2N=CN=C12,,"N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid",DB02722
1654,1654,1654,Metocurine iodide is a benzylisoquinolinium competitive nondepolarizing neuromuscular blocking agent. It is used as an anesthesia adjunct to induce skeletal muscle relaxation and to reduce the intensity of muscle contractions in convulsive therapy Metocurine iodide has a moderate risk of inducing histamine release and has some ganglion blocking activity. Metocurine iodide can be used most advantageously if muscle twitch response to peripheral nerve stimulation is monitored to assess degree of muscle relaxation. Metocurine Iodide is no longer available on the US market.,[I-].[I-].[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,,2-Amino-6-Chloropyrazine,DB01167
1655,1655,1655,"Flupirtine is a pyridine derivative that is in clinical use as a nonopioid analgesic. It was approved for the treatment of pain in 1984 in Europe. It is not approved for use in the U.S. or Canada, but is currently in phase II trials for the treatment of fibromyalgia.",CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1,,Papain,DB16416
1656,1656,1656,Not Available,C[C@@]1(CC(O)=O)C2=CC3=C(CC(O)=O)C(CCC(O)=O)=C4C=C5N6C(=CC7=C(CCC(O)=O)[C@](C)(CC(O)=O)C8=CC(N2[Fe@]6(N34)N78)=C1CCC(O)=O)C(CC(O)=O)=C5CCC(O)=O,,O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID,DB02885
1657,1657,1657,Not Available,O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O,,Purvalanol A,DB00926
1658,1658,1658,Not Available,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,,Ravulizumab,DB04003
1659,1659,1659,Not Available,N[C@@H](CCCCO)C(O)=O,,Norgestrel,DB07216
1660,1660,1660,"A naturally occurring amino acid in both eukaryotic and prokaryotic organisms. It is found in tRNAs and in the catalytic site of some enzymes. The genes for glutathione peroxidase and formate dehydrogenase contain the TGA codon, which codes for this amino acid. [PubChem]",N[C@@H](C[SeH])C(O)=O,,Doxazosin,DB11948
1661,1661,1661,Not Available,[H][C@](NC1=C(C=O)C=C2C=CC=CN12)(C(O)=O)[C@](C)(COC(=O)CC1=CC(O)=C(O)C=C1)[S@](O)=O,,Naproxen,DB00097
1662,1662,1662,Not Available,[H][C@]1(O)C[C@]([H])(O)[C@@]([H])(O)O[C@]1([H])C,,Anti-SARS-CoV-2 REGN-COV2,DB01633
1663,1663,1663,"Lapachone has been used in trials studying the treatment of Cancer, Carcinoma, Advanced Solid Tumors, Head and Neck Neoplasms, and Carcinoma, Squamous Cell.",CC1(C)CCC2=C(O1)C1=CC=CC=C1C(=O)C2=O,,"N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE",DB02704
1664,1664,1664,Not Available,[H]N([H])[C@H](COC1=CN=CC(=C1)C1=CC2=C(C=C1)C=NC=C2)CC1C=NC2=CC=CC=C12,,Delta-2-Albomycin A1,DB00216
1665,1665,1665,Not Available,CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+],,"5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DB01963
1666,1666,1666,Not Available,OC1=CC=C(C2=C1C(=O)C1=C(O)C=CC=C1O2)[N+]([O-])=O,,Dienestrol,DB00437
1667,1667,1667,Not Available,OC(=O)C1=CC(NC2=C(C(=O)NC2=O)C2=CC(Cl)=CC=C2)=CC=C1Cl,,Di-Stearoyl-3-Sn-Phosphatidylcholine,DB03544
1668,1668,1668,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OCCCCCCCC,,N-hexadecanoylglycine,DB07528
1669,1669,1669,Not Available,[H][C@]1(O)CN(CC2=CNC3=C(N)N=CN=C23)C[C@]1([H])CSC,,Chromium nicotinate,DB02216
1670,1670,1670,"Duloxetine is a serotonin norepinephrine reuptake inhibitor used to treat generalized anxiety disorder, neuropathic pain, osteoarthritis, and stress incontinence.",CNCC[C@H](OC1=CC=CC2=CC=CC=C12)C1=CC=CS1,,Wortmannin,DB04791
1671,1671,1671,Not Available,OC(=O)CCCOC1=CC=C(NC(=O)NC(=O)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1,,Triclabendazole,DB08498
1672,1672,1672,Deacetyllanatoside C. A cardiotonic glycoside from the leaves of Digitalis lanata.,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1,,Laevulinic Acid,DB07569
1673,1673,1673,Not Available,CC(=O)N[C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)OC[C@H](N)C(O)=O,,"4-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide",DB12317
1674,1674,1674,Not Available,C[N+]1(C)CCC(CC1)=C(C1=CC=CC=C1)C1=CC=CC=C1,,"N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide",DB03865
1675,1675,1675,Moxifloxacin is a fluoroquinolone antibiotic used to treat various bacterial infections.,[H][C@]12CN(C[C@@]1([H])NCCC2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1OC)C(O)=O,,Harmaline,DB00461
1676,1676,1676,N-Acetyl-L-Glutamate is a glutamate derivate used to prevent allergic conjunctivitis.,CC(=O)N[C@@H](CCC(O)=O)C(O)=O,,Albuterol,DB08320
1677,1677,1677,Cabotegravir is an HIV-1 integrase inhibitor used for treatment and pre-exposure prophylaxis of HIV-1 infection.,[H][C@@]12CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(O)=C3C(=O)N1[C@@H](C)CO2,,5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE,DB04820
1678,1678,1678,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@]1([H])[C@@H](O)C2=CC=CC=C2C2=CC=CC=C12)C(=O)N([H])CC(O)=O)C(O)=O,,S-Arsonocysteine,DB01748
1679,1679,1679,"Flucloxacillin is a narrow spectrum penicillin antibiotic that exerts specific activity against Gram positive organisms in skin and soft tissue infections, except those caused by methicillin resistant staphylococcus aureus (MRSA).",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1F)C(O)=O,,4-oxo-nicotinamide-adenine dinucleotide phosphate,DB02519
1680,1680,1680,Alefacept is a recombinant fusion protein that binds CD2 and is used treat moderate to severe plaque psoriasis.,,CFSQQIYGVVYGNVTFHVPSNVPLKEVLWKKQKDKVAELENSEFRAFSSFKNRVYLDTVSGSLTIYNLTSSDEDEYEMESPNITDTMKFFLYVLESLPSPTLTCALTNGSIEVQCMIPEHYNSHRGLIMYSWDCPMEQCKRNSTSIYFKMENDLPQKIQCTLSNPLFNTTSSIILTTCIPSSGHSRHRYALIPIPLAVITTCIVLYMNGILKCDRKPDRTNSNRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPQVKFNWYVDGVQVHNAKTKPREQQYNSTYRVVSVLTVLHQNWLDGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"N-alpha-Acetyl-3,5-diiodotyrosyl-D-threonine",DB14707
1681,1681,1681,Not Available,O[S@@](=O)C1=CC=CC=C1,,3-(6-Aminopyridin-3-Yl)-N-Methyl-N-[(1-Methyl-1h-Indol-2-Yl)Methyl]Acrylamide,DB03198
1682,1682,1682,Not Available,ClC1=CC=C(S1)\C=C\S(=O)(=O)N1CCN(CC2=CC3=C(N2)C=CN=C3)C(=O)C1,,S-Acetyl-Cysteine,DB00776
1683,1683,1683,Not Available,[H][C@@](O)(CNCP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,,"3-[2,6,8-Trioxo-9-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate",DB14596
1684,1684,1684,Not Available,[H][C@](O)(CCCCCC)C(O)=O,,"4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID",DB05420
1685,1685,1685,Not Available,[H]N([H])C(=NCC1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],,"2,3-diphenyl-1H-indole-7-carboxylic acid",DB02249
1686,1686,1686,Not Available,ClC1=C(N2CCN(CC#C)CC2)C(NC(=O)C2=CC=C(Br)O2)=CC=C1,,Pradefovir mesylate,DB06626
1687,1687,1687,Not Available,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(=CC=C1)C1=C(CO)C(=NO1)C(O)=O,,L-methionine sulfone,DB06082
1688,1688,1688,Not Available,OC1=CC2=C(C=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,,Iodobenzene,DB04795
1689,1689,1689,Not Available,OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N,,(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL,DB03592
1690,1690,1690,Not Available,S(SC1=CC=NC=C1)C1=CC=NC=C1,,2-Chloro-6-Methyl-Aniline,DB00631
1691,1691,1691,"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)",CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O,,(2S)-2-(1H-indol-3-yl)pentanoic acid,DB00493
1692,1692,1692,"MDX-1303 is a fully human antibody against the inhalation anthrax, the most lethal form of illness in humans caused by the Bacillus anthracis bacterium, and targets a protein component of these lethal toxins known as the anthrax protective antigen.",,,Raxibacumab,DB03109
1693,1693,1693,Tauroursodeoxycholic acid is the taurine conjugate of ursodeoxycholic acid with antiapoptotic and ER stress response dampening effects used in some countries to treat gallstones. It is also being investigated for a wide variety of other conditions.,[H][C@@]12CC[C@H]([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C,,Propanoic acid,DB08661
1694,1694,1694,A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.,N[C@H](CS)C(O)=O,,Canfosfamide,DB00875
1695,1695,1695,Nilvadipine is a calcium channel blocker used to manage arterial hypertension.,COC(=O)C1=C(NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)C)C#N,,Phenylbutyric acid,DB16695
1696,1696,1696,"Alvespimycin is a derivative of geldanamycin and heat shock protein (HSP) 90 inhibitor. It has been used in trials studying the treatment of solid tumor in various cancer as an antitumor agent. In comparison to the first HSP90 inhibitor tanespimycin, it exhibits some pharmacologically desirable properties such as reduced metabolic liability, lower plasma protein binding, increased water solubility, higher oral bioavailability, reduced hepatotoxicity and superior antitumor activity 1.",CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,,"2-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID",DB02763
1697,1697,1697,Not Available,OC(=O)C1=C(NC(=O)C2=CC=CC(=C2)S(=O)(=O)N2CCC3=CC=CC=C3C2)C=CC=C1,,"2,3-Di-O-Sulfo-Alpha-D-Glucopyranose",DB13152
1698,1698,1698,"Methylephedrine is a sympathomimetic amine that appears in various over-the-counter cough and cold medications throughout the world 9, 10, 11. The abuse of methylephedrine-containing medications has been reported in Japan. Methylephedrine is not legally available in the United States, but has been identified in cases of drug abuse 7.",C[C@@H]([C@H](O)C1=CC=CC=C1)N(C)C,,Testosterone succinate,DB07610
1699,1699,1699,Not Available,CN(C)CC(=O)NC1=CC2=C(NC(=O)C3=CC=CC=C23)C=C1,,Forodesine,DB05210
1700,1700,1700,Equol has been used in trials studying the treatment of Breast Cancer.,OC1=CC=C(C=C1)[C@H]1COC2=C(C1)C=CC(O)=C2,,"2,3-Difluorobenzyl Alcohol",DB08289
1701,1701,1701,Levobunolol is a beta-adrenergic antagonist used for the reduction of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CCCC2=O,,Puromycin,DB08801
1702,1702,1702,Not Available,[H][C@](C)(OC1=CC=C(OC2=CC=C(Cl)C=C2Cl)C=C1)C(O)=O,,Rimegepant,DB02407
1703,1703,1703,"APD668 is a novel, highly potent and orally active glucose-dependent insulinotropic receptor (GDIR) agonist intended to more efficiently stimulate insulin release by beta cells in response to elevated blood glucose levels, and to also avoid hypoglycemia.",,,5-(2-chlorophenyl)furan-2-carbohydrazide,DB06980
1704,1704,1704,The most common inhibitory neurotransmitter in the central nervous system.,NCCCC(O)=O,,RU78783,DB02570
1705,1705,1705,Not Available,[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC,,Acepromazine,DB05241
1706,1706,1706,Not Available,[H][C@](O)(CC)C[C@@]([H])(O)C1=C(O)C2=C(C=C1CC(=O)OC)C(=O)C1=CC=CC(O)=C1C2=O,,Cilnidipine,DB00833
1707,1707,1707,Alclofenac is a non-steroidal anti-inflammatory drug. It was withdrawn from the market in the United Kingdom in 1979.,OC(=O)CC1=CC(Cl)=C(OCC=C)C=C1,,Ferrous ascorbate,DB09536
1708,1708,1708,Not Available,NC(CCO)(CCO)CCO,,Sarilumab,DB02641
1709,1709,1709,Not Available,CCC1=NC(N)=NC(N)=C1C1=CC=C2SC(C)(C)C(=O)N(CCNC(C)=O)C2=C1,,Dapiprazole,DB07651
1710,1710,1710,"Bromopride is a substituted benzamide, closely related to metoclopramide, used as an antiemetic.",CCN(CC)CCNC(=O)C1=CC(Br)=C(N)C=C1OC,,Nelipepimut-S,DB02467
1711,1711,1711,Not Available,[H]N([C@@H]1CO[C@H](CO)C1)C(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N([H])[C@@H]1[C@H](O)CC2=CC=CC=C12,,3-Methylthiofentanyl,DB08426
1712,1712,1712,Copanlisib is a PI3K inhibitor used to treat relapsed follicular lymphoma in adults.,COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21,,"5-(4-Morpholin-4-Yl-Phenylsulfanyl)-2,4-Quinazolinediamine",DB02090
1713,1713,1713,Pyruvic acid is an ingredient of a blood cell processing solution used to rejuvenate a unit of red blood cells (RBC) in preparation for transfusion.,CC(=O)C(O)=O,,9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE,DB02779
1714,1714,1714,"Sulindac is an NSAID used to treat osteoarthritis, rheumatoid arthritis, ankylosing spondylitis, acute subacromial bursitis or supraspinatus tendinitis, and acute gouty arthritis.",CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O,,TAK-901,DB12323
1715,1715,1715,Emapalumab is an interferon gamma blocking antibody used to treat primary hemophagocytic lymphohistiocytosis.,,,[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE,DB03313
1716,1716,1716,Mitapivat is a pyruvate kinase activator used to treat hemolytic anemia in adults with pyruvate kinase (PK) deficiency.,O=C(N1CCN(CC2CC2)CC1)C1=CC=C(NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C=C1,,Acetoacetic acid,DB14583
1717,1717,1717,Not Available,NC1=CC=C(N)C2=C1C(=O)C1=C(O)C=CC(O)=C1C2=O,,Cefacetrile,DB04363
1718,1718,1718,Not Available,OCC(CO)(CO)NCCS(O)(=O)=O,,Hadacidin,DB08559
1719,1719,1719,"Temazepam is a short-acting benzodiazepine commonly used to treat panic disorders, severe anxiety, and insomnia.",CN1C2=C(C=C(Cl)C=C2)C(=NC(O)C1=O)C1=CC=CC=C1,,Talbutal,DB06813
1720,1720,1720,Not Available,OC(=O)CCCCCNC(=O)NC1CCCCC1,,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine",DB04238
1721,1721,1721,Not Available,CC1=C(C=CC=C1)C1=NC2=C(Br)C=NN2C(NCC2=C[N+]([O-])=CC=C2)=C1,,"7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile",DB00869
1722,1722,1722,Not Available,[H][C@]1(CSCC)O[C@@]([H])(N2C=NC3=C2N=CN=C3N)[C@]([H])(O)[C@]1([H])O,,D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide,DB13269
1723,1723,1723,"Clopidogrel is an antiplatelet agent used to prevent blood clots in peripheral vascular disease, coronary artery disease, and cerebrovascular disease.",[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl,,"2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID",DB01274
1724,1724,1724,Not Available,[H][C@@](CC(O)=O)(NC(=O)[C@@]([H])(CCCCNC(=O)C1=NC2=C(C=CC=C2O)C=C1)C1=CC=CS1)C=O,,2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide,DB14751
1725,1725,1725,Cantharidin is a natured product indicated to treat molluscum contagiosum,[H][C@]12CC[C@]([H])(O1)[C@]1(C)C(=O)OC(=O)[C@]21C,,Lonidamine,DB00347
1726,1726,1726,Piflufolastat F 18 is a radiopharmaceutical diagnostic agent used with PET to image PSMA-positive lesions for the diagnosis of metastatic or recurrent prostate cancer.,OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C([18F])N=C1)C(O)=O)C(O)=O,,4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE,DB09173
1727,1727,1727,Not Available,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C=CC(Cl)=C1,,"[1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester",DB00654
1728,1728,1728,Primaquine is an antimalarial indicated to prevent relapse of vivax malaria.,COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1,,NGX267,DB00279
1729,1729,1729,Cariprazine is an atypical antipsychotic used to treat schizophrenia and acute manic or mixed episodes due to bipolar I disorder.,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)C2=C(Cl)C(Cl)=CC=C2)CC1,,Gosogliptin,DB07581
1730,1730,1730,"Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies.",C(C1CN2CCC1CC2)N1C2=CC=CC=C2SC2=CC=CC=C12,,3-(3-Methyl-2-buten-1-yl)-3H-purin-6-amine,DB00756
1731,1731,1731,"Clarithromycin is a macrolide antibiotic used for the treatment of a wide variety of bacterial infections such as acute otitis, pharyngitis, tonsillitis, respiratory tract infections, uncomplicated skin infections, and helicobacter pylori infection.",[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)OC,,Alpha-Ribazole-5'-Phosphate,DB03013
1732,1732,1732,Estradiol cypionate is an estradiol prodrug used to treat vasomotor symptoms and hypoestrogenisms from hypogonadism.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]12C)OC(=O)CCC1CCCC1,,2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE,DB02562
1733,1733,1733,Not Available,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,,AL-4623,DB04284
1734,1734,1734,Not Available,OC(=O)\C=C\C1=CC(O)=C(O)C=C1,,DDP-225,DB01028
1735,1735,1735,CHIR-124 is a potent inhibitor of Chk1 that potentiates the cytotoxicity of topoisomerase I poisons in vitro and in vivo.,ClC1=CC2=C(NC(=O)C(C3=NC4=CC=CC=C4N3)=C2N[C@@H]2CN3CCC2CC3)C=C1,,N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA,DB01427
1736,1736,1736,Not Available,[O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=CC=CC=C1,,Collagenase clostridium histolyticum,DB01327
1737,1737,1737,Ferric derisomaltose is an iron injection used in the treatment of iron deficiency anemia.,[Fe+3].OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,,"Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium",DB07246
1738,1738,1738,"MDX-1100, a fully human antibody that targets IP10 (also known as CXCL10), a chemokine expressed in association with multiple inflammatory disease indications, such as rheumatoid arthritis, inflammatory bowel disease and multiple sclerosis.",,,Gefapixant,DB02317
1739,1739,1739,"Mevastatin or compactin is a cholesterol-lowering agent isolated from Penicillium citinium. It was the first discovered agent belonging to the class of cholesterol-lowering medications known as statins. During a search for antibiotic compounds produced by fungi in 1971, Akira Endo at Sankyo Co. (Japan) discovered a class of compounds that appeared to lower plasma cholesterol levels. Two years later, the research group isolated a compound structurally similar to hydroxymethylglutarate (HMG) that inhibited the incorporation of acetate. The compound was proposed to bind to the reductase enzyme and was named compactin. Mevastatin is a competitive inhibitor of HMG-Coenzyme A (HMG-CoA) reductase with a binding affinity 10,000 times greater than the HMG-CoA substrate itself. Mevastatin is a pro-drug that is activated by in vivo hydrolysis of the lactone ring. It has served as one of the lead compounds for the development of the synthetic compounds used today.",[H][C@]12[C@H](CCC=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,,Uridine-5'-diphosphate-4-deoxy-4-fluoro-alpha-D-galactose,DB00470
1740,1740,1740,"CTCE-0214 is a stable peptide agonist of stromal cell-derived factor-1 (SDF-1), a key signaling molecule in the proliferation, homing, engraftment and expansion of hematopoietic stem cells and white blood cells.",,,Besifloxacin,DB01351
1741,1741,1741,Not Available,[H][C@]1(CCCN1)C(=O)C1=NN=C(O1)C(C)(C)C,,Bicalutamide,DB05475
1742,1742,1742,Not Available,CCC1=C(C(N)=NC(N)=N1)C1=CC=CC=C1,,Isatin,DB07235
1743,1743,1743,Remimazolam is an ultra short-acting benzodiazepine used for the induction and maintenence of procedural sedation during short procedures.,COC(=O)CC[C@@H]1N=C(C2=CC=CC=N2)C2=CC(Br)=CC=C2N2C(C)=CN=C12,,5-Methoxybenzimidazole,DB07063
1744,1744,1744,Not Available,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)/C[C@H](CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@@H](O)C[C@@H](OC)\C=C\[C@@H]1C)OC)OC,,"Imino[2-(2-oxo-1,2-dihydro-3-pyridinyl)-1H-benzimidazol-5-yl]methanaminium",DB13914
1745,1745,1745,A barbiturate that is effective as a hypnotic and sedative.,CN1C(=O)NC(=O)C(C)(C1=O)C1=CCCCC1,,Moxisylyte,DB06314
1746,1746,1746,Not Available,[H][C@@](CC1=CC=CC=C1)(N(CC1=CC(=CC=C1)C(F)(F)F)C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O,,Fosnetupitant,DB00525
1747,1747,1747,Not Available,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,,Chlorpheniramine,DB07035
1748,1748,1748,"Cerliponase alfa is an enzyme replacement therapy used to treat neuronal ceroid lipofuscinosis type 2 (CLN2) disease, also known as tripeptidyl peptidase 1 (TPP1) deficiency.",,SYSPEPDQRRTLPPGWVSLGRADPEEELSLTFALRQQNVERLSELVQAVSDPSSPQYGKYLTLENVADLVRPSPLTLHTVQKWLLAAGAQKCHSVITQDFLTCWLSIRQAELLLPGAEFHHYVGGPTETHVVRSPHPYQLPQALAPHVDFVGGLHRFPPTSSLRQRPEPQVTGTVGLHLGVTPSVIRKRYNLTSQDVGSGTSNNSQACAQFLEQYFHDSDLAQFMRLFGGNFAHQASVARVVGQQGRGRAGIEASLDVQYLMSAGANISTWVYSSPGRHEGQEPFLQWLMLLSNESALPHVHTVSYGDDEDSLSSAYIQRVNTELMKAAARGLTLLFASGDSGAGCWSVSGRHQFRPTFPASSPYVTTVGGTSFQEPFLITNEIVDYISGGGFSNVFPRPSYQEEAVTKFLSSSPHLPPSSYFNASGRAYPDVAALSDGYWVVSNRVPIPWVSGTSASTPVFGGILSLINEHRILSGRPPLGFLNPRLYQQHGAGLFDVTRGCHESCLDEEVEGQGFCSGPGWDPVTGWGTPNFPALLKTLLNP,Erenumab,DB07466
1749,1749,1749,Not Available,[H][C@@](O)(COC)[C@]([H])(CC(C)C)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1,,"(5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE",DB01813
1750,1750,1750,Alisertib is a novel aurora A kinase inhibitor under investigation for the treatment of various forms of cancer.,COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C2=C(OC)C=CC=C2F)=CC=C1C(O)=O,,Triamcinolone,DB04912
1751,1751,1751,8-azaguanine is one of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids.,NC1=NC2=C(N=NN2)C(=O)N1,,Norcamphor,DB09195
1752,1752,1752,Not Available,OCCOCN1C=C(CC2=CC=CC(OCC3=CC=CC=C3)=C2)C(=O)NC1=O,,"5-Nitro-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione",DB01790
1753,1753,1753,Not Available,N[C@@H](CC1=CC=CC(O)=C1)C(O)=O,,Tesmilifene,DB00783
1754,1754,1754,Not Available,NC1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,,N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE,DB06207
1755,1755,1755,"SB-269970 is an experimental drug developed by GlaxoSmithKline. In the studies performed with this agent, it has been suggested that SB-269970 acts either as a selective antagonist or inverse agonist of the serotonin receptor 7 (5-HT7).2,3",CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C2=CC=CC(O)=C2)CC1,,Genz-10850,DB09092
1756,1756,1756,Terconazole is an antifungal drug used in the treatment of vulvovaginal candidiasis.,CC(C)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,RU85053,DB11363
1757,1757,1757,"Relebactam is a beta-lactamase inhibitor used to prevent hydrolysis of beta-lactam antibiotics, leading to increased effectiveness.",OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC2CCNCC2)C1=O,,Sebacic acid,DB00713
1758,1758,1758,Raltitrexed is a folate analog thymidylate synthase inhibitor used in the treatment of advanced colorectal cancer.,CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,,Prazosin,DB07850
1759,1759,1759,"PX-478 is a small molecule inhibitor of hypoxia inducible factor (HIF)-1 alpha currently in a clinical trial in patients with advanced metastatic cancer and lymphoma. PX-478 was effective in models of both non-small cell lung cancer
and small cell lung cancer that express HIF-1 alpha.",Cl.Cl.N[C@@H](CC1=CC=C(C=C1)[N+]([O-])(CCCl)CCCl)C(O)=O,,"(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE",DB08558
1760,1760,1760,"PCL-016 or Picolinic acid drug substance is a pyridine carboxylate metabolite of tryptophan. It acts as an anti-infective and immunomodulator and is produced in approximately 25-50 mg quantities by the body on a daily basis through the breakdown of tryptophan. PCL-016 plays a key role in zinc transport. As a therapeutic agent, the molecule works by binding to zinc finger proteins (ZFPs) in a way that changes their structures and disrupts zinc binding, inhibiting function. ZFPs are involved in viral replication and packaging as well as normal cell homeostatic functions. Picolinic acid has been shown to be an anti-viral in vitro and in vivo, and sometimes works in conjunction with other cytokines such as interferon gamma to affect immune responses. Acne vulgaris, herpes and other viral infections therefore pose potential therapeutic targets of PCL-016.",OC(=O)C1=CC=CC=N1,,Propiomazine,DB08430
1761,1761,1761,Not Available,NC1=NC(OC2=C(Cl)C=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1,,Amoxapine,DB08897
1762,1762,1762,Not Available,[H][C@]1(C[C@@]2([H])[C@]3([H])CCC4=CC(OC(=O)CC)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])OC(=O)CC)OC(=O)CC,,1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide,DB16351
1763,1763,1763,"Trandolapril is a prodrug of an ACE inhibitor used to treat hypertension, congestive heart failure, and to improve survival following a myocardial infarction.",[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,,N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE,DB00732
1764,1764,1764,"5'-Adenylic acid, monoanhydride with sulfuric acid. The initial compound formed by the action of ATP sulfurylase on sulfate ions after sulfate uptake. Synonyms: adenosine sulfatophosphate; APS.",NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate",DB08045
1765,1765,1765,"Ceftazidime is an injected broad-spectrum third-generation cephalosporin beta-lactam antibiotic used to treat or prevent a variety of bacterial infections, including pneumonia, gynecological infections, bone and joint infections, and septicemia, among others.",[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1,,3-Tyrosine,DB08816
1766,1766,1766,"Paclitaxel is a taxoid chemotherapeutic agent used as first-line and subsequent therapy for the treatment of advanced carcinoma of the ovary, and other various cancers including breast and lung cancer.",[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C,,Quetiapine,DB00367
1767,1767,1767,"Ticlopidine is a platelet aggregation inhibitor used in the prevention of conditions associated with thrombi, such as stroke and transient ischemic attacks (TIA).",ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2,,"4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL",DB08741
1768,1768,1768,Not Available,CS\C(N)=N\CCCCCCCCCCCCCC\N=C(/N)SC,,N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE,DB07139
1769,1769,1769,Not Available,C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)OP(O)(O)=O,,ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate,DB03241
1770,1770,1770,Dienogest is an oral progestin used for the treatment of endometriosis as monotherapy or contraception in combination with ethinylestradiol.,[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],,"(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DB04434
1771,1771,1771,Not Available,CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,,Tibolone,DB15773
1772,1772,1772,Erenumab is a calcitonin-gene related peptide antagonist used to prevent migraines.,,QVQLVESGGGVVQPGRSLRLSCAASGFTFSSFGMHWVRQAPGKGLEWVAVISFDGSIKYSVDSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCARDRLNYYDSSGYYHYKYYGMAVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,4-Iodo-L-phenylalanine,DB08297
1773,1773,1773,Pascolizumab (SB 240683) is a humanized anti-interleukin-4 antibody with therapeutic potential in asthma.,,,Skf 107457,DB15097
1774,1774,1774,"Papaverine is an alkaloid used to treat many types of smooth muscle spasms such as ""vascular spasms"" associated with acute myocardial infarction and angina pectoris, as well as ""visceral spasms"".",COC1=C(OC)C=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1,,4-Fluorobenzylamine,DB02870
1775,1775,1775,Not Available,[H][C@]1(O[C@@]2(C(=O)C3=C(C=C(C)C=C3)C2=O)[C@]([H])(C(O)=O)[C@]1([H])C(=O)NC1=CC=C(C=C1)C1=CSN=N1)C1=CC(Cl)=C(Cl)C=C1,,5-Bromoindirubin,DB08740
1776,1776,1776,Not Available,[H][C@@]1(O)CN2C=CN=C2[C@]([H])(O)[C@@]1([H])O,,Heparin,DB03173
1777,1777,1777,Not Available,OC[C@@H]1O[C@H]([C@H]2O[V](O)(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O,,"2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester",DB01219
1778,1778,1778,Not Available,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,,Sintilimab,DB06011
1779,1779,1779,"Torasemide is a diuretic used to treat hypertension and edema associated with heart failure, renal failure, or liver disease.",CC(C)NC(=O)NS(=O)(=O)C1=C(NC2=CC=CC(C)=C2)C=CN=C1,,Equine Botulinum Neurotoxin G Immune FAB2,DB08855
1780,1780,1780,Not Available,COC1=CC=CC(OC)=C1CN1CCC(CC1)NC(=O)CCCS,,Oxidized coenzyme A,DB01036
1781,1781,1781,Not Available,C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(N)=O,,6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE,DB08193
1782,1782,1782,Not Available,[H]N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)N([H])C(=O)[C@H](CCC(O)=O)N([H])C(=O)C1=CC=CC=C1,,Alefacept,DB01084
1783,1783,1783,Not Available,CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2,,"2',3'-Dideoxyadenosine triphosphate",DB01832
1784,1784,1784,Not Available,[H][C@@](CC1=CC=CC(=C1)C(N)=N)(NC(=O)CNS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC,,Asciminib,DB07158
1785,1785,1785,Not Available,CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O,,Dibotermin alfa,DB00238
1786,1786,1786,Not Available,OC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O,,Anileridine,DB15250
1787,1787,1787,"Lenvatinib is a receptor tyrosine kinase inhibitor used for the treatment of metastatic thyroid cancer, advanced renal cell carcinoma in combination with everolimus, and unresectable hepatocellular carcinoma.",COC1=C(C=C2C(OC3=CC=C(NC(=O)NC4CC4)C(Cl)=C3)=CC=NC2=C1)C(N)=O,,Benzo[B]Thiophene-2-Carboxamidine,DB00504
1788,1788,1788,"RTA 744 is a novel anthracycline derivative that crosses the blood-brain barrier and shows significant potential for the treatment of primary and metastatic brain cancers. Anthracyclines are one of the most broadly used and effective classes of cancer therapies; however, they are not used to treat brain cancers because current therapies do not cross the blood-brain barrier.",,,Nicorandil,DB08252
1789,1789,1789,IMC-1C11 is an anti-angiogenesis agent. It is a chimeric anti-kinase insert domain-containing receptor (KDR) antibody that blocks VEGFR-KDR interaction and inhibits VEGFR-induced endothelial cell proliferation. IMC-1C11 is used for treatment of patients with liver metastases from colorectal carcinoma.,,,3'-O-Acetylthymidine-5'-diphosphate,DB04407
1790,1790,1790,"Hydroxyurea is an antimetabolite used to treat sickle cell anemia crisis, resistant chronic myeloid leukemia, and Locally advanced squamous cell carcinomas of the head and neck (excluding the lip).",NC(=O)NO,,Isoflavone,DB05767
1791,1791,1791,Not Available,NC1=CC=CC(=C1)B(O)O,,Verubecestat,DB02296
1792,1792,1792,Levorphanol is an opioid analgesic used to treat moderate to severe pain.,[H][C@@]12CCCC[C@@]11CCN(C)[C@@H]2CC2=C1C=C(O)C=C2,,CRx-119,DB03500
1793,1793,1793,Not Available,[H]N1C(=O)C[C@H](N)C1=O,,Uracil,DB07890
1794,1794,1794,"Irbesartan is an angiotensin receptor blocker used to treat hypertension, delay progression of diabetic nephropathy, and treat congestive heart failure.",CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1,,Sodium ferric gluconate complex,DB09481
1795,1795,1795,Not Available,COC1=C(OC)C=C(CCC(O)=O)C=C1,,"2,4-Difluorobenzyl Alcohol 2,4-Difluoro-1-(Hydroxymethyl)Benzene",DB04491
1796,1796,1796,Afelimomab (also known as Fab 2 or MAK 195F) is an anti-TNF-α monoclonal antibody. Administration of 195F reduces the concentration of interleukin-6 in patients with sepsis.,,,"2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine",DB07500
1797,1797,1797,"XMT-1001 is a polymer-based prodrug of camptothecin (CPT), a well-characterized topoisomerase I inhibitor with potent anti-tumor activity. It is a water-soluble macromolecular conjugate of camptothecin (CPT). In this novel CPT pro-drug, CPT is conjugated with a 70 kDa biodegradable hydrophilic polyacetal, poly (1-hydroxymethylene hydroxylmethylformal). XMT-1001 has demonstrated an improved therapeutic window as compared with CPT and irinotecan in human tumor xenografts models",,,Azoxystrobin,DB07431
1798,1798,1798,Not Available,CCCCCCCCCCCCCCCC(=O)NCC(O)=O,,Methylmalonic Acid,DB08258
1799,1799,1799,Astaxanthin is a keto-carotenoid in the terpenes class of chemical compounds. It is classified as a xanthophyll but it is a carotenoid with no vitamin A activity. It is found in the majority of aquatic organisms with red pigment. Astaxanthin has shown to mediate anti-oxidant and anti-inflammatory actions. It may be found in fish feed or some animal food as a color additive.,C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C,,p-Coumaric acid,DB13125
1800,1800,1800,Not Available,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@]([H])(CC1CC1)C1([H])N[C@]([H])(NO1)C1=C(F)C=C(C=C1)S(C)(=O)=O,,Ethyl hydrogen diethylamidophosphate,DB00816
1801,1801,1801,AMPA is a specific agonist for the AMPA receptor.,CC1=C(C[C@H](N)C(O)=O)C(O)=NO1,,Propylene glycol,DB06730
1802,1802,1802,Not Available,COC1=CC(=O)C2=C(C(COC3=CC=C(C=C3)[N+]([O-])=O)=C(C)N2C)C1=O,,2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide,DB08191
1803,1803,1803,Thenoyltrifluoroacetone is a chelating agent and inhibitor of cellular respiration.,FC(F)(F)C(=O)CC(=O)C1=CC=CS1,,Exemestane,DB05490
1804,1804,1804,Not Available,CN1C2=C(SC(C)=C2)C2=C1C(=O)N(CC1=CC=CC=C1F)N=C2,,"N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide",DB07038
1805,1805,1805,Pegaptanib is a selective vascular endothelial growth factor (VEGF) antagonist used for the treatment of neovascular (wet) age-related macular degeneration.,,,"2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid",DB05102
1806,1806,1806,Not Available,OCCSSCCO,,ND7001,DB07912
1807,1807,1807,"Fluticasone propionate is a glucocorticoid used to treat asthma, inflammatory pruritic dermatoses, and nonallergic rhinitis.",[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,Zanubrutinib,DB02285
1808,1808,1808,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O,,Kifunensine,DB00679
1809,1809,1809,Not Available,[H][C@]1(N(CCC2=CC(O)=C(OC)C=C12)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,,4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE,DB14921
1810,1810,1810,Not Available,C[C@@H](O)[C@H](C)O,,Tirofiban,DB04223
1811,1811,1811,Not Available,CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,,PR-104,DB02638
1812,1812,1812,Promazine is a phenothiazine used to manage schizophrenia.,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,,Iron Dextran,DB06103
1813,1813,1813,Oxiconazole is a topical antifungal used to treat a variety of dermatophyte infections.,ClC1=CC(Cl)=C(CO\N=C(/CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=C1,,"N-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside",DB10770
1814,1814,1814,Not Available,[Cr+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,,"1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",DB02608
1815,1815,1815,Not Available,C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CF,,Quisqualic acid,DB09317
1816,1816,1816,Not Available,OC(=O)[C@H]1CCCO1,,Miconazole,DB03076
1817,1817,1817,Not Available,COC1=C(O)C=CC2=C1C=C(C1=C2C2=C(OCO2)C=C1C(O)=O)[N+]([O-])=O,,Dinitrochlorobenzene,DB01100
1818,1818,1818,Cipaglucosidase alfa is a recombinant human acid alpha-glucosidase used to treat late-onset Pompe disease in adults.,,QQGASRPGPRDAQAHPGRPRAVPTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGLQGAQMGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPHVHSRAPSPLYSVEFSEEPFGVIVRRQLDGRVLLNTTVAPLFFADQFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRITLWNRDLAPTPGANLYGSHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFLGPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTRAHFPLDVQWNDLDYMDSRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVDPAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNPTALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRGSEDGCPNNELENPPYVPGVVGGTLQAATICASSHQFLSTHYNLHNLYGLTEAIASHRALVKARGTRPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVGADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSLLSLPQEPYSFSEPAQQAMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQLLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPVEALGSLPPPPAAPREPAIHSEGQWVTLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARGELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVTVLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSLLMGEQFLVSWC,"8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-",DB00947
1819,1819,1819,Tebentafusp is a bispecific gp100 peptide-HLA-directed CD3 T cell engager used to treat unresectable or metastatic uveal melanoma.,,,Palovarotene,DB07484
1820,1820,1820,Dioxybenzone is a benzophenone derivative used in sunscreens to block UVB and short-wave UVA radiation.,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1O,,"8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-2-Fluoro-9-Pent-4-Ylnyl-9h-Purin-6-Ylamine",DB04654
1821,1821,1821,Not Available,OC(=O)CNC(=O)C1=CC(O)=CC=C1,,Pegcetacoplan,DB03604
1822,1822,1822,Not Available,CC1=NC2=C(C=CN=C2)N1C1=CC=C(CN2C(=O)SC3=CC=CC=C23)C=C1,,"3-(5-amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide",DB05070
1823,1823,1823,Mefloquine is an antimalarial agent used in the prophylaxis and treatment of malaria caused by Plasmodium falciparum and Plasmodium vivax.,OC(C1CCCCN1)C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F,,"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol",DB07019
1824,1824,1824,Not Available,OC(=O)C(=O)C(O)=O,,(S)-2-Tetrahydrofuroic acid,DB08725
1825,1825,1825,Not Available,[H][C@@](CC1=CC=C(C=C1)[C@]1([H])CC(=O)NS1(=O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,,CRA_9678,DB14738
1826,1826,1826,Not Available,[H][C@@]1(C[C@](CC(C)C)(N(C(=O)C2=CC=C(C=C2)C(C)(C)C)[C@@]1([H])C1=NC=CS1)C(O)=O)C(O)=O,,(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID,DB13955
1827,1827,1827,Acrylic Acid is a drug used in combination with benzalkonium for eye disinfection and lubrication.,OC(=O)C=C,,Mercaptocarboxylate Inhibitor,DB08827
1828,1828,1828,Not Available,[H]N([H])N1C(=O)N([H])[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,,7-thionicotinamide-adenine-dinucleotide phosphate,DB02277
1829,1829,1829,Propofol is a medication used in general anesthesia and for sedation.,CC(C)C1=CC=CC(C(C)C)=C1O,,Tolterodine,DB11738
1830,1830,1830,Paritaprevir is a direct acting antiviral agent used in combination with other antiviral agents for the treatment of Hepatitis C Virus (HCV) infections.,[H][C@@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](CN1C(=O)[C@H](CCCCC\C=C/2)NC(=O)C1=CN=C(C)C=N1)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1,,Arsenous acid,DB03068
1831,1831,1831,Not Available,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCNC(=O)C12CC3CC(CC(C3)C1)C2,,Tamibarotene,DB07629
1832,1832,1832,"O-(chloroacetylcarbamoyl)fumagillol (TNP-470) has been used in trials studying the treatment of HIV Infections, Sarcoma, Kaposi, and Pancreatic Neoplasms.",[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1([H])[C@]([H])(OC)[C@@]([H])(CC[C@]11CO1)OC(=O)NC(=O)CCl,,"(3s,8ar)-3-(4-Hydroxybenzyl)Hexahydropyrrolo[1,2-a]Pyrazine-1,4-Dione",DB01157
1833,1833,1833,"Dopamine is a catecholamine neurotransmitter used to treat hemodynamic imbalances, poor perfusion of vital organs, low cardiac output, and hypotension.",NCCC1=CC(O)=C(O)C=C1,,Etodolac,DB04793
1834,1834,1834,"Thiomersal (INN), commonly known in the U.S. as thimerosal, is an organomercury compound. This compound is a well-established and widely used antiseptic and antifungal agent.",[Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O,,Tolrestat,DB02257
1835,1835,1835,Methionine is an amino acid commonly found as a component in total parenteral nutrition.,CSCC[C@H](N)C(O)=O,,(2s)-Pyrrolidin-2-Ylmethylamine,DB02102
1836,1836,1836,Not Available,OS(=O)(=O)CCN1CCOCC1,,PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER,DB00503
1837,1837,1837,Not Available,,,Dichlorvos,DB06936
1838,1838,1838,Ocriplasmin is a proteolytic enzyme used to treat symptomatic vitreomacular adhesion by dissolving the protein matrix responsible for the adhesion between the vitreous and macula.,,APSFDCGKPQVEPKKCPGR,Valdecoxib,DB04845
1839,1839,1839,Not Available,COC1=CC(=CC(OC)=C1OCC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC[C@@H]1CCC2OCOC2C1)C(=O)CCN1C(=O)C2=CC=CC=C2C1=O,,Alvocidib,DB14669
1840,1840,1840,Not Available,CC(=O)NCCC1=CNC=N1,,"6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE",DB02124
1841,1841,1841,Not Available,O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,,[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium,DB03470
1842,1842,1842,Not Available,[H][C@]12NC(=O)C(=O)N1[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O,,"CYCLOHEXYLMETHYL-2,3-DIHYDROXY-5-METHYL-HEXYLAMIDE",DB00651
1843,1843,1843,Not Available,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C(=O)N1CCCC[C@]1([H])C(O)=O,,Naratriptan,DB04278
1844,1844,1844,,CC(C)C1CCC(C)CC1O,,"Bis-1,2-{[(Z)-2-carboxy-2-methyl-1,3-dioxane]-5-yloxycarbamoyl}-ethane",DB07833
1845,1845,1845,"Benzocaine is a topical local anesthetic used for the temporary relief of pain and itching associated with minor burns, sunburn, scrapes and insect bites or minor skin irritations.",CCOC(=O)C1=CC=C(N)C=C1,,"4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE",DB08397
1846,1846,1846,Not Available,CC(C)(OC1=CC=C(NC(=O)NC2=CC(Cl)=CC(Cl)=C2)C=C1)C(O)=O,,Bismuth subcitrate potassium,DB07771
1847,1847,1847,Not Available,[H]N1C(=O)N([H])[C@@]2(O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C1=O,,Diglyme,DB15566
1848,1848,1848,Not Available,CCCCCCP(O)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,,[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE,DB07447
1849,1849,1849,Not Available,[H][C@](C)(O)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,,2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine,DB00759
1850,1850,1850,Not Available,NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,,N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine,DB02988
1851,1851,1851,Not Available,CCOC(=O)C1=C(C)N(N=C1C)C1=C(Cl)C=CC=C1,,BL-1020,DB03751
1852,1852,1852,"Torcetrapib (CP-529414, Pfizer) was developed to treat hypercholesterolemia but its development was halted in 2006 when phase III studies showed excessive mortality in the treatment group receiving a combination of atorvastatin and the study drug.",CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C2=C1C=CC(=C2)C(F)(F)F,,Etacrynic acid,DB07763
1853,1853,1853,Not Available,CP([O-])=O,,ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE,DB05798
1854,1854,1854,Mycophenolic acid is an immunosuppressant used to prevent organ transplant rejections.,COC1=C(C\C=C(/C)CCC(O)=O)C(O)=C2C(=O)OCC2=C1C,,Ethanesulfonic acid,DB07706
1855,1855,1855,Cedazuridine is a cytidine deaminase inhibitor coadministered with the hypomethylating agent decitabine for the treatment of variable forms of myelodysplastic syndrome (MDS).,OC[C@H]1O[C@@H](N2CC[C@@H](O)NC2=O)C(F)(F)[C@@H]1O,,m-Chlorophenylpiperazine,DB01454
1856,1856,1856,Not Available,CCOC(=O)NC,,Butamben,DB07266
1857,1857,1857,Not Available,[H][C@]1(CO)O[C@]([H])(OC2=CC=C(N)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,Arginine,DB08181
1858,1858,1858,Not Available,OC(C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F)=C1C(=O)CCCC1=O,,Thymectacin,DB00906
1859,1859,1859,Not Available,O=N(=O)C1=CC2=NNC=C2C=C1,,"[4,6-O-(1-CARBOXYETHYLIDENE)-BETA-D-MANNOSE]",DB01643
1860,1860,1860,Not Available,[H][C@]1(CN(C(=O)C1)C1=CC=C(C=C1)C(C)=O)C(O)=O,,Pantoprazole,DB08227
1861,1861,1861,Cycloserine is a broad-spectrum antibiotic used in the treatment of tuberculosis and certain urinary tract infections (UTI).,N[C@@H]1CONC1=O,,N-Caffeoyltyramine,DB04598
1862,1862,1862,Not Available,BrC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,,Glycine,DB01822
1863,1863,1863,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(=O)C(F)(F)F,,"(3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine",DB01895
1864,1864,1864,Prothrombin is a coagulation factor used for emergency reversal of vitamin K antagonist therapy.,,MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE,"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone",DB07601
1865,1865,1865,Not Available,NC1=C(Br)C(C(O)=O)=C(Br)C(C(O)=O)=C1Br,,Hexocyclium,DB09291
1866,1866,1866,Dyclonine is an topical anesthetic used prior to examination to suppress the gag reflex or for pain relief from canker sores and fever blisters.,CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1,,Flurazepam,DB03749
1867,1867,1867,Sulfadoxine is a long acting sulfonamide used for the treatment or prevention of malaria.,COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC,,(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,DB00434
1868,1868,1868,Not Available,OCCN(CCO)CC(O)=O,,Sodium oxybate,DB02589
1869,1869,1869,Not Available,[H]N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(=O)N([H])[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N([H])[C@@H](C(C)C)C(=O)C(F)(F)F,,Atenolol,DB03113
1870,1870,1870,"PN0621 is an anti-TNF, domain antibody (dAb) based therapeutic. It targets tumour necrosis factor (TNF) to treat auto-immune inflammatory diseases such as rheumatoid arthritis. It is being developed by Peptech.",,,Caplacizumab,DB08182
1871,1871,1871,"MF101 is a novel estrogen receptor beta (ERβ) selective agonist and unlike currently available hormone therapies, does not activate the estrogen receptor alpha (ERα), known to be implicated in tumor formation. MF101 is an oral drug designed for the treatment of hot flashes and night sweats in peri-menopausal and menopausal women.",,,Relcovaptan,DB05075
1872,1872,1872,Rurioctocog alfa pegol is a pegylated recombinant human coagulation factor VIII used to treat and prevent bleeding episodes in patients 12 years and above with hemophilia A.,,ATRRYYLGAVELSWDYMQSDLGELPVDARFPPRVPKSFPFNTSVVYKKTLFVEFTDHLFNIAKPRPPWMGLLGPTIQAEVYDTVVITLKNMASHPVSLHAVGVSYWKASEGAEYDDQTSQREKEDDKVFPGGSHTYVWQVLKENGPMASDPLCLTYSLYSHVDLVKDLNSGLIGALLVCREGSLAKEKTQTLHKFILLFAVFDEGKSWHSETKNSLMQDRDAASARAWPKMHTVNGYVNRSLPGLIGCHRKSVYWHVIGMGTTPEVHSIFLEGHTFLVRNHRQASLEISPITFLTAQTLLMDLGQFLLFCHISSHQHDGMEAYVKVDSCPEEPQLRMKNNEEAEDYDDDLTDSEMDVVRFDDDNSPSFIQIRSVAKKHPKTWVHYIAAEEEDWDYAPLVLAPDDRSYKSQYLNNGPQRIGRKYKKVRFMAYTDETFKTREAIQHESGILGPLLYGEVGDTLLIIFKNQASRPYNIYPHGITDVRPLYSRRLPKGVKHLKDFPILPGEIFKYKWTVTVEDGPTKSDPRCLTRYYSSFVNMERDLASGLIGPLLICYKESVDQRGNQIMSDKRNVILFSVFDENRSWYLTENIQRFLPNPAGVQLEDPEFQASNIMHSINGYVFDSLQLSVCLHEVAYWYILSIGAQTDFLSVFFSGYTFKHKMVYEDTLTLFPFSGETVFMSMENPGLWILGCHNSDFRNRGMTALLKVSSCDKNTGDYYEDSYEDISAYLLSKNNAIEPRSFSQNSRHPSTRQKQFNATTIPENDIEKTDPWFAHRTPMPKIQNVSSSDLLMLLRQSPTPHGLSLSDLQEAKYETFSDDPSPGAIDSNNSLSEMTHFRPQLHHSGDMVFTPESGLQLRLNEKLGTTAATELKKLDFKVSSTSNNLISTIPSDNLAAGTDNTSSLGPPSMPVHYDSQLDTTLFGKKSSPLTESGGPLSLSEENNDSKLLESGLMNSQESSWGKNVSSTESGRLFKGKRAHGPALLTKDNALFKVSISLLKTNKTSNNSATNRKTHIDGPSLLIENSPSVWQNILESDTEFKKVTPLIHDRMLMDKNATALRLNHMSNKTTSSKNMEMVQQKKEGPIPPDAQNPDMSFFKMLFLPESARWIQRTHGKNSLNSGQGPSPKQLVSLGPEKSVEGQNFLSEKNKVVVGKGEFTKDVGLKEMVFPSSRNLFLTNLDNLHENNTHNQEKKIQEEIEKKETLIQENVVLPQIHTVTGTKNFMKNLFLLSTRQNVEGSYDGAYAPVLQDFRSLNDSTNRTKKHTAHFSKKGEEENLEGLGNQTKQIVEKYACTTRISPNTSQQNFVTQRSKRALKQFRLPLEETELEKRIIVDDTSTQWSKNMKHLTPSTLTQIDYNEKEKGAITQSPLSDCLTRSHSIPQANRSPLPIAKVSSFPSIRPIYLTRVLFQDNSSHLPAASYRKKDSGVQESSHFLQGAKKNNLSLAILTLEMTGDQREVGSLGTSATNSVTYKKVENTVLPKPDLPKTSGKVELLPKVHIYQKDLFPTETSNGSPGHLDLVEGSLLQGTEGAIKWNEANRPGKVPFLRVATESSAKTPSKLLDPLAWDNHYGTQIPKEEWKSQEKSPEKTAFKKKDTILSLNACESNHAIAAINEGQNKPEIEVTWAKQGRTERLCSQNPPVLKRHQR,"N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide",DB08728
1873,1873,1873,Not Available,NS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CC=C2S)C=C1,,Atazanavir,DB00237
1874,1874,1874,"Hesperetin belongs to the flavanone class of flavonoids. Hesperetin, in the form of its glycoside hesperidin, is the predominant flavonoid in lemons and oranges.",COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1,,Idarubicin,DB07073
1875,1875,1875,Eprotirome which is a compound with promising properties for treatment of obesity and dyslipidemia. Eprotirome increases the body’s energy consumption and reduces body weight and markedly reduces blood lipids and blood glucose.,CC(C)C1=C(O)C=CC(OC2=C(Br)C=C(NC(=O)CC(O)=O)C=C2Br)=C1,,"N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide",DB15399
1876,1876,1876,Not Available,CN(C)C=O,,(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID,DB01852
1877,1877,1877,Not Available,CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O,,1-Methylhistidine,DB00421
1878,1878,1878,Bilastine is a peripheral histamine H1-antagonist used to treat seasonal allergic rhinitis and chronic spontaneous urticaria.,CCOCCN1C(=NC2=CC=CC=C12)C1CCN(CCC2=CC=C(C=C2)C(C)(C)C(O)=O)CC1,,Ceralasertib,DB00368
1879,1879,1879,Not Available,CCCCN1C(CC2=C(OC)C=CC(OC)=C2)=NC2=C(N)N=C(F)N=C12,,"4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide",DB03791
1880,1880,1880,"CHGN111 is an inhibitor of the mitochondrial enzyme CLK-1 which is a demethoxyubiquinone hydroxylase. Numerous parameters of mitochondrial function are altered when the activity of CLK-1 is reduced, which results in a decrease of ROS at critical cellular sites, as well as in a decrease of systemic oxidative stress. It was under investigation until approximately 2007.",,,Delta-Amino Valeric Acid,DB08647
1881,1881,1881,Oxyphencyclimine is a drug used to treat smooth muscle spasticity.,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,,Neratinib,DB08078
1882,1882,1882,Not Available,CC(C)(COP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)C[N+](C)(C)C,,Flunarizine,DB16650
1883,1883,1883,Rizatriptan is a triptan used to treat migraines with or without aura.,CN(C)CCC1=CNC2=C1C=C(CN1C=NC=N1)C=C2,,"5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile",DB06311
1884,1884,1884,Plerixafor is a CXCR4 antagonist used in combination with granulocyte-colony stimulating factor to mobilize hematopoietic stem cells to the peripheral blood for collection and autologous transplantation in patients with non-Hodgkin’s lymphoma and multiple myeloma.,C(N1CCCNCCNCCCNCC1)C1=CC=C(CN2CCCNCCNCCCNCC2)C=C1,,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",DB08575
1885,1885,1885,"GW 468816 is glycine receptor antagonist. It is designed to aid abstinence in people who have just quit smoking, delaying the time to relapse. It was undergoing phase II trials since December 2003.",,,CHIR-124,DB07662
1886,1886,1886,Sulfaphenazole is a sulfonamide antibacterial.,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=NN1C1=CC=CC=C1,,Regorafenib,DB03754
1887,1887,1887,Not Available,OCCCCO,,Thiarsa Dihydroxy Cysteine,DB08054
1888,1888,1888,Zuranolone is a neuroactive steroid drug used to treat postpartum depression,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@](C)(O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)C(=O)CN1C=C(C=N1)C#N,,Candesartan,DB03771
1889,1889,1889,Desflurane is a general inhalation anesthetic for inpatient and outpatient surgery in adults.,FC(F)OC(F)C(F)(F)F,,"(2S)-2-({4-[(2S)-1-(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami no)pentanedioic acid",DB04673
1890,1890,1890,Clomifene is a medication used to induce ovulation.,CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1,,Lexatumumab,DB07433
1891,1891,1891,,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC=CC=C1O,,Letrozole,DB02733
1892,1892,1892,Not Available,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(CC)C=C1)C(O)=O,,Granisetron,DB00887
1893,1893,1893,Not Available,CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1,,2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose,DB09217
1894,1894,1894,Not Available,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O,,Monofluorophosphate ion,DB04104
1895,1895,1895,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID,DB04282
1896,1896,1896,Not Available,[H][C@@](O)(CNC(=O)NCC1=CC=CC=C1)C(O)=O,,Radicicol,DB05521
1897,1897,1897,Nitric Oxide is a vasodilating agent used in the treatment of hypoxic respiratory failure in premature neonates.,[N]=O,,1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE,DB06271
1898,1898,1898,Not Available,NC(=O)[C@H]1C=[N+](C=CC1=O)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,,S-9-(2-hydroxypropyl)adenine,DB04039
1899,1899,1899,Not Available,CC(=O)NC1=CC=CC(NC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)=C1,,Adenosine-5'-Rp-Alpha-Thio-Triphosphate,DB01164
1900,1900,1900,"Nitroprusside is a direct acting vasodilator used to treat hypertension, to induce controlled hypotension to reduce postoperative bleeding, and to manage acute heart failure.",O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N,,"4-(N,N-Dimethylamino)cinnamoyl-CoA",DB16737
1901,1901,1901,Not Available,[H][C@](N)(CS[As](C)C)C(O)=O,,Ethyl dihydrogen phosphate,DB06356
1902,1902,1902,Not Available,[H]C(O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC[C@@]1([H])C[C@@]1([H])CCCCCC,,QR-333,DB01681
1903,1903,1903,Not Available,COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1,,LY374571,DB11219
1904,1904,1904,Odevixibat is an ileal sodium/bile acid cotransporter inhibitor indicated in the treatment of pruritus in patients with progressive familial intrahepatic cholestasis.,CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)C3=CC=C(O)C=C3)C=C2S(=O)(=O)N1,,"3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE",DB02738
1905,1905,1905,Emodin has been investigated for the treatment of Polycystic Kidney.,CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O)C2=O,,16-Bromoepiandrosterone,DB08506
1906,1906,1906,"Fenofibric acid is a fibrate used to treat severe hypertriglyceridemia, primary hypercholesterolemia, or mixed dyslipidemia.",CC(C)(OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1)C(O)=O,,N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide,DB04559
1907,1907,1907,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,,Besilesomab,DB00593
1908,1908,1908,Not Available,NC(=O)C1=CN=C2C=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1[N+]([O-])=O,,Rozanolixizumab,DB07914
1909,1909,1909,Not Available,[H][C@@](O)(CN1C=NC2=C(N)N=CN=C12)[C@@]([H])(O)C(O)=O,,Aluminum chloride,DB00246
1910,1910,1910,Enalaprilat is an antihypertensive agent used for the management of hypertension when oral therapy is not practical.,[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=O,,Lercanidipine,DB02952
1911,1911,1911,S-Ethylisothiourea is a nitric oxide synthase inhibitor.,CCSC(N)=N,,N-(carboxycarbonyl)-D-phenylalanine,DB06919
1912,1912,1912,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])F,,"(S,R)-fidarestat",DB07265
1913,1913,1913,Not Available,OC(=O)CNC(=O)CCCC(=O)NCC1=CC=C(C=C1)[N+]([O-])=O,,4-Hydroxy-3-Methyl Butyl Diphosphate,DB05708
1914,1914,1914,Not Available,OC(=O)CCCCCCOC1=C(Cl)C=C(NC(=O)NC(=O)C2=CC=CC=C2Cl)C=C1Cl,,Ciclopirox,DB04768
1915,1915,1915,Teniposide is a cytotoxic drug used as an adjunct for chemotherapy induction in the treatment of refractory childhood acute lymphoblastic leukemia.,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=C(C=C3OCOC3=C1)[C@H]2O[C@]1([H])O[C@]2([H])CO[C@H](O[C@@]2([H])[C@H](O)[C@H]1O)C1=CC=CS1,,Malonate Ion,DB08141
1916,1916,1916,Vafidemstat is under investigation in clinical trial NCT03867253 (Testing the Safety and Preliminary Efficacy of the New Drug ORY-2001 in Mild to Moderate Alzheimer's Disease).,NC1=NN=C(CN[C@@H]2C[C@H]2C2=CC=C(OCC3=CC=CC=C3)C=C2)O1,,Norvaline,DB12543
1917,1917,1917,Not Available,[H][C@@](O)(CC(=O)CCCCC(O)=O)\C=C/C\C=C/CCCCC,,Diethylcarbamazine,DB04353
1918,1918,1918,Not Available,CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1,,Adenylosuccinic acid,DB07847
1919,1919,1919,An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.,CN(CCCOC1=C(Cl)C=C(Cl)C=C1)CC#C,,ADL5859,DB00300
1920,1920,1920,Not Available,CCCCCCCCCCCCCC(O)=O,,Danazol,DB00843
1921,1921,1921,Not Available,[Fe+4].[H]\C(=N/C1=C(C=C(C=C1)C(O)=O)/N=C(\[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],,Anagrelide,DB01698
1922,1922,1922,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=C(F)N=C23)[C@]([H])(O)[C@]1([H])O,,(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol,DB08000
1923,1923,1923,Not Available,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(=O)CCCCCC(O)=O,,"1,4-Dithiothreitol",DB01726
1924,1924,1924,Guanabenz is an alpha-2 adrenergic agonist used to treat hypertension.,NC(N)=NN=CC1=C(Cl)C=CC=C1Cl,,Thiabendazole,DB05553
1925,1925,1925,"Novobiocin is an antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189)",CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C,,Methoxyflurane,DB02742
1926,1926,1926,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)C=CN=C23)[C@]([H])(O)[C@]1([H])O,,Acetylamino-Acetic Acid,DB07305
1927,1927,1927,"A nicotinic antagonist that has been used as a ganglionic blocker in hypertension, as an adjunct to anesthesia, and to induce hypotension during surgery.",O=C1N(CC2=CC=CC=C2)C2C[S+]3CCCC3C2N1CC1=CC=CC=C1,,Anidulafungin,DB00663
1928,1928,1928,"Amatuximab has been used in trials studying the treatment and basic science of Mesothelioma, Ovarian Cancer, Ovarian Neoplasms, Pancreatic Cancer, and Mesothelioma, Malignant, among others.",,,trifluoro-[hydroxy-[hydroxy-[2-(N-methyl-2-nitro-anilino)ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium(1-),DB08428
1929,1929,1929,Not Available,OC1=CC(O)=C2C(CC(=O)CCC\C=C\CCOC2=O)=C1Cl,,Bisoprolol,DB01719
1930,1930,1930,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,,octyl 3-deoxy-2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-xylo-hexopyranoside,DB00138
1931,1931,1931,TIMBD is an azaresveratrol analog.,COC1=C(O)C(\C=N\C2=CC=C(C)C=C2)=CC=C1,,Trospium,DB00559
1932,1932,1932,Not Available,[H][C@](NC(=O)C1CCCCC1)(C(C)C)C(=O)NC1=CC=NC=C1,,"1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE",DB03385
1933,1933,1933,Not Available,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=CNN=C2C=C1)CC1=C2C=CC=CC2([H])N=C1,,Ertugliflozin,DB04599
1934,1934,1934,Not Available,CN([C@H]1CC[C@@H](CC1)C1=CC=C(CN2CCCCC2)C=C1)C(=O)OC1=CC=C(Cl)C=C1,,MDX-018,DB07436
1935,1935,1935,Saxagliptin is an DPP-4 inhibitor used for the management of type 2 diabetes mellitus.,[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,,N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,DB11945
1936,1936,1936,Not Available,OC(=O)CCP(O)(O)=O,,alpha-L-fucose,DB01702
1937,1937,1937,"ICA-105665 is a novel small molecule compound for the treatment of epilepsy. It is a novel opener of the KCNQ ion channel which in preclinical studies has demonstrated a broad spectrum of activity in models of epilepsy. In addition, ICA-105665 has also demonstrated activity in certain models of neuropathic pain.",,,Difluoromethionine,DB04492
1938,1938,1938,"Levofloxacin is a fluoroquinolone antibiotic used to treat infections caused by susceptible bacteria of the upper respiratory tract, skin and skin structures, urinary tract, and prostate, as well as for post-exposure treatment of inhaled anthrax and the plague.",C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,,"3-Mercapto-1-(1,3,4,9-Tetrahydro-B-Carbolin-2-Yl)-Propan-1-One",DB13781
1939,1939,1939,"XL999 has the potential to provide benefit to patients with lung cancer and acute myelogenous leukemia. XL999 is a new chemical entity that inhibits a spectrum of receptor tyrosine kinases (RTKs) with growth promoting and angiogenic properties, including FGFR 1/3, PDGFRα/β, VEGFR2/KDR, KIT, and FLT3. XL999 also inhibits FLT4 and SRC. XL999 has the potential to prevent tumor growth — both directly by a novel effect on tumor cell proliferation and indirectly through inhibition of the host angiogenic response. XL999 induces a cell-cycle block by a mechanism distinct from those previously identified and exhibits broad antitumor activity in xenograft models.",,,SALOPHEN-10-PROPIONATE IRON CHELATE,DB08745
1940,1940,1940,Not Available,OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1Cl,,AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH,DB00966
1941,1941,1941,Rindopepimut (CDX-110) is an injectable peptide cancer vaccine which targets a mutant protein called EGFRvIII present in about 25% to 30% of glioblastoma cases. The vaccine consists of the EGFRv3-specific peptide (a 13-amino acid mutant vIII epitope) conjugated to the non-specific immunomodulator keyhole limpet hemocyanin (KLH). The US FDA granted it Breakthrough Therapy Designation for glioblastoma in Feb 2015.,,,Belumosudil,DB09351
1942,1942,1942,Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.,OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1,,Aldoxorubicin,DB00542
1943,1943,1943,"Omalizumab is a monoclonal anti-immunoglobulin E (IgE) antibody used to treat asthma, chronic idiopathic urticaria, chronic rhinosinusitis with nasal polyps, and IgE-mediated food allergy.",,,Ramatroban,DB04847
1944,1944,1944,Not Available,FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCCNCC1,,2-butyl-1-hydroxyguanidine,DB09510
1945,1945,1945,Not Available,OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1,,2-(3-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,DB04869
1946,1946,1946,"Anisindione is a synthetic anticoagulant and an indanedione derivative. Its anticoagulant action is mediated through the inhibition of the vitamin K-mediated gamma-carboxylation of precursor proteins that are critical in forming the formation of active procoagulation factors II, VII, IX, and X, as well as the anticoagulant proteins C and S, in the liver.",COC1=CC=C(C=C1)C1C(=O)C2=CC=CC=C2C1=O,,Acetoacetyl-CoA,DB01104
1947,1947,1947,Methylphenidate is a stimulant used in the management of Attention Deficit Hyperactivity Disorder (ADHD).,COC(=O)C(C1CCCCN1)C1=CC=CC=C1,,"N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE",DB08119
1948,1948,1948,1-naphthaleneacetic acid is a drug used to treat digestive problems from excessive fat consumption and functional disorders of the gallbladder and bile ducts.,OC(=O)CC1=C2C=CC=CC2=CC=C1,,Flunisolide,DB01442
1949,1949,1949,Caspofungin is an echinocandin used to treat a variety of fungal infections.,[H][C@@]12C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@]([H])(C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@H](O)[C@@H](O)C1=CC=C(O)C=C1)[C@H](O)CCN)NC(=O)CCCCCCCC[C@@H](C)C[C@@H](C)CC)[C@@H](C)O,,Protriptyline,DB04835
1950,1950,1950,Uridine is a drug used to manage neuropsychiatric deficits associated with cerebrovascular diseases in combination with cytidine.,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,,(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid,DB06471
1951,1951,1951,Posaconazole is a triazole antifungal drug that is used to treat invasive infections by Candida species and Aspergillus species in severely immunocompromised patients.,CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=NC=N3)(C2)C2=C(F)C=C(F)C=C2)C=C1,,"2,3-Dihydroxy-Benzoic Acid",DB04404
1952,1952,1952,Toremifene is a first generation nonsteroidal selective estrogen receptor modulator used to treat certain breast cancers.,CN(C)CCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,,SNX-5422,DB07072
1953,1953,1953,Not Available,O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC=CC(=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC3=C(N2)C=CC=C3)[C@@H]1CC1=CC=CC=C1,,Barnidipine,DB06943
1954,1954,1954,Gallium nitrate is a drug previously indicated to treat cancer-related hypercalcemia.,[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,,Girentuximab,DB00956
1955,1955,1955,Tisagenlecleucel is a CAR T cell therapy for relapsed or refractory large B-cell lymphoma and diffuse large B-cell lymphoma.,,,ZK-805623,DB04218
1956,1956,1956,"1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.",C(N1C=CN=C1)C1=CC=CC=C1,,Nimodipine,DB03663
1957,1957,1957,"The key substance in the biosynthesis of histidine, tryptophan, and purine and pyrimidine nucleotides.",O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,,2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide,DB04883
1958,1958,1958,Not Available,[H][C@@]1(O)C[C@@](O)(C=C(C2=CC=CC(SC3=CC=CC=C3)=C2)[C@@]1([H])O)C(O)=O,,8-azaxanthine,DB11235
1959,1959,1959,Not Available,COC1=CC2=C(NC(C)CCCN(CCCl)CCCl)C3=CC=C(Cl)C=C3N=C2C=C1,,"(3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium",DB00609
1960,1960,1960,Not Available,C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O,,1-ACETYL-2-CARBOXYPIPERIDINE,DB01347
1961,1961,1961,Quercetin is a natural flavonoid found in foods and natural supplement products.,OC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC=C(O)C(O)=C1,,"7,8-dihydroinosine",DB01411
1962,1962,1962,Not Available,CCCCCC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCN1CCOCC1)[C@H](C(C)C)C(=O)NO,,Suvorexant,DB04286
1963,1963,1963,"Ephedrine is an alpha and beta-adrenergic agonist indicated to treat hypotension under anesthesia, allergic conditions, bronchial asthma, and nasal congestion.",CN[C@@H](C)[C@H](O)C1=CC=CC=C1,,Mazindol,DB05786
1964,1964,1964,Etomidate is a short-acting intravenous anesthetic indicated for the induction of anesthesia and supplementation of subpotent anesthesia during short operative procedures.,CCOC(=O)C1=CN=CN1[C@H](C)C1=CC=CC=C1,,Halazepam,DB14006
1965,1965,1965,Not Available,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OP(O)(O)=O,,Lisdexamfetamine,DB07103
1966,1966,1966,Not Available,CC1=NC(=CN1CC1=C(Cl)C=CC=C1Cl)C1=NC(N)=NC=C1,,Methimazole,DB08663
1967,1967,1967,Not Available,[H][C@@](C)(O)[C@@]([H])(N)CC1=CC=CC=C1,,Oxamic Acid,DB05467
1968,1968,1968,"Methscopolamine bromide is a muscarinic antagonist used to treat peptic ulcers, nausea, vomiting, and motion sickness.",[Br-].[H][C@@]12O[C@]1([H])[C@H]1C[C@H](C[C@@H]2[N+]1(C)C)OC(=O)[C@H](CO)C1=CC=CC=C1,,Olcegepant,DB11952
1969,1969,1969,"An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction. Scyllitol has been investigated for the treatment of Alzheimer Disease.",O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,,N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide,DB15636
1970,1970,1970,Not Available,CCCN(C)C(=O)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O,,N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide,DB02851
1971,1971,1971,Levomilnacipran is a selective serotonin and norepinephrine reuptake inhibitor (SNRI) used to treat major depressive disorder (MDD) in adults.,CCN(CC)C(=O)[C@]1(C[C@H]1CN)C1=CC=CC=C1,,"2,4,6-Triaminoquinazoline",DB03258
1972,1972,1972,Not Available,CC1=CC(NC(=O)CC2=CC=C(OC(C)(C)C(O)=O)C=C2)=CC(C)=C1,,1-CHLORO-6-(4-HYDROXYPHENYL)-2-NAPHTHOL,DB05034
1973,1973,1973,"Neovastat is a naturally occurring anti-angiogenic compound, extracted from cartilage, with multiple anti-angiogenic mechanisms of action that provide broad therapeutic potential for a number of diseases. It is currently in international Phase III trials for renal cell carcinoma and non-small-cell lung cancer.",,,Metolazone,DB06689
1974,1974,1974,Flutemetamol (18F) is a radiopharmaceutical diagnostic agent used during Positron Emission Tomography (PET) imaging of the brain to estimate β-amyloid neuritic plaque density in adult patients to diagnose the causes of cognitive impairment.,CNC1=C([18F])C=C(C=C1)C1=NC2=CC=C(O)C=C2S1,,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2-METHYL-4-ISOXAZOLYL]-PHENOL",DB06595
1975,1975,1975,Not Available,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C([NH3+])=[NH2+],,"2,5-Anhydroglucitol-1,6-Biphosphate",DB08185
1976,1976,1976,Not Available,[H][C@@]1(C#N)C2=C(N(C)C3=CC(Cl)=CC=C23)C(=O)NC11CCNCC1,,4-Methyl-N-[5-(5-methyl-furan-2-ylmethylene)-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide,DB06861
1977,1977,1977,Acitretin is an oral retinoid used in the treatment of severe psoriasis.,COC1=C(C)C(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)C(C)=C1,,"2,3,-Dihydroxybenzoylserine",DB07739
1978,1978,1978,Not Available,CC1(C)CC(CC(C)(C)N1O)N1C(=O)CCC1=O,,"2,4-deoxy-4-guanidino-5-N-acetyl-neuraminic acid",DB00908
1979,1979,1979,Not Available,[H][C@@](CCCC)(N1CCN[C@]([H])(CC2=CC=CC=C2)C1=O)C(O)=O,,CRA_17312,DB09204
1980,1980,1980,Quizartinib is a FLT3 inhibitor used in combination with cytarabine and anthracycline to treat acute myeloid leukemia with FLT3 internal tandem duplication,CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C=C2)C2=CN3C(SC4=C3C=CC(OCCN3CCOCC3)=C4)=N2)=NO1,,ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE,DB05429
1981,1981,1981,Not Available,CC1=CC=CC=C1C1=NN=CC2=C1C=CC(=C2)C1=C(C)C=CC(=C1)C(=O)NC1CC1,,Thiothixene,DB02568
1982,1982,1982,Tetradecyl hydrogen sulfate (ester) is an anionic surfactant used to treat small uncomplicated varicose veins.,CCCCC(CC)CCC(CC(C)C)OS(O)(=O)=O,,Trolamine salicylate,DB01148
1983,1983,1983,Camphor is a compound used topically to help relieve pain and also as a topical antiseptic. May also be used in vaporizers to help suppress coughing. This medication should not be swallowed.,[H][C@@]12CC[C@@](C)(C(=O)C1)C2(C)C,,(S)-alpha-methyl-4-carboxyphenylglycine,DB00321
1984,1984,1984,Cardioactive derivative of lanatoside A or of digitoxin used for fast digitalization in congestive heart failure.,[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1,,"2-[4-(2,4-Dichlorophenoxy)Phenoxy]Propanoic Acid",DB06616
1985,1985,1985,Not Available,CCN1CCN(CC1)C1=NC2=C(C=NN2C(NC2=CC=CC=C2)=N1)C#N,,Ripasudil,DB09319
1986,1986,1986,Andexanet alfa is a recombinant Factor Xa used to reverse anticoagulation caused by rivaroxaban and apixaban.,,ANSFLFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKNCELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERRKRRKRIVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDAGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK,Ergometrine,DB01946
1987,1987,1987,Not Available,[H][C@@](CCCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,,Human immunoglobulin G,DB03950
1988,1988,1988,Not Available,CCOCCOCCOCCOCCOCCOCCOCCOCCO,,5-iodotubercidin,DB07196
1989,1989,1989,SF1126 is an integrin-targeted PI3 kinase inhibitor.,,,Phosphonoacetohydroxamic Acid,DB13139
1990,1990,1990,Not Available,OC(CC1=CN=C2C=CC=CN12)(P(O)(O)=O)P(O)(O)=O,,Arformoterol,DB05398
1991,1991,1991,Bimatoprost is a prostaglandin analog used to treat hypotrichosis of the eyelashes and intraocular pressure in open angle glaucoma or ocular hypertension.,CCNC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)CCC1=CC=CC=C1,,Copper,DB00194
1992,1992,1992,Hymecromone is a coumarin derivative that lacks anticoagulant properties but possesses choleretic and biliary antispasmodic activity.,CC1=CC(=O)OC2=C1C=CC(O)=C2,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID",DB08539
1993,1993,1993,Dolutegravir is an antiviral agent used for the treatment of HIV-1 infections in combination with other antiretroviral agents.,[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O)=C3C(=O)N1[C@H](C)CCO2,,Ferrous fumarate,DB08608
1994,1994,1994,Not Available,COC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,,Xylazine,DB00040
1995,1995,1995,Methoxamine is an alpha adrenergic agonist used to treat hypotension.,COC1=CC(C(O)C(C)N)=C(OC)C=C1,,Naxifylline,DB01875
1996,1996,1996,Not Available,CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,"PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE",DB04371
1997,1997,1997,Not Available,COC1=CC=CC=C1N1C(=O)C2=C(Cl)C=CC=C2N=C1CSC1=C2N=CNC2=NC=N1,,"5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid",DB04468
1998,1998,1998,Not Available,[H][C@]([NH3+])(CC1=C(SN=C1[O-])C(C)(C)C)C(O)=O,,Methyl alpha-D-mannoside,DB09093
1999,1999,1999,"Trifluridine is a nucleoside metabolic inhibitor used to treat keratoconjunctivitis and epithelial keratitis caused by simplex virus, and as a part of chemotherapy for certain types of metastatic gastrointestinal cancers.",OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F,,Cefmetazole,DB00041
2000,2000,2000,Not Available,CCC1=NN(C2=C1C(=O)NC(CC1=CC(O)=C(O)C=C1)=N2)C1=C(Cl)C=C(Cl)C=C1Cl,,"4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",DB01438
2001,2001,2001,"Eplivanserin has been used in trials studying the treatment of Sleep, Insomnia, Chronic Pain, Fibromyalgia, and Primary Insomnia, among others.",CN(C)CCO\N=C(\C=C\C1=CC=C(O)C=C1)/C1=CC=CC=C1F,,Carboxin,DB16739
2002,2002,2002,Mibolerone is a potent anabolic steroid which is both higher affinity and more selective for the androgen receptor than metribolone.,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H],,Liothyronine,DB04975
2003,2003,2003,Parecoxib is a selective COX-2 inhibitor and NSAID used for the short-term management of perioperative pain.,CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1,,Zenarestat,DB01675
2004,2004,2004,Not Available,CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)\C=C\C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O1)C(C)C,,"({[(3E)-2'-Oxo-2',7'-dihydro-2,3'-biindol-3(7H)-ylidene]amino}oxy)acetic acid",DB03416
2005,2005,2005,Not Available,[H]N(CCC)C(=O)[C@H](O)[C@@H](O)C(O)=O,,Dexchlorpheniramine maleate,DB04394
2006,2006,2006,Not Available,[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-],,Deferoxamine,DB15434
2007,2007,2007,Mephenytoin is a phenylhydantoin used to treat refractory partial epilepsy.,CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1,,1-Hexadecanosulfonic Acid,DB00517
2008,2008,2008,An NSAID that inhibits PI-3K gamma and delta.,NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C1=CC(O)=CC=C1,,Epcoritamab,DB00851
2009,2009,2009,Cyproterone acetate is a steroid used in combination with ethinyl estradiol to treat women with severe acne and symptoms of androgenization. Also used alone at much higher doses for palliative treatment of patients with prostate cancer,[H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H],,S-Ethyl-N-[4-(Trifluoromethyl)Phenyl]Isothiourea,DB08545
2010,2010,2010,Fluoroestradiol F-18 is a radiolabeled analog of estradiol used as a contrast agent in the PET imaging of estrogen receptor-positive breast cancer lesions.,[H][C@@]12C[C@@H]([18F])[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,Ifenprodil,DB11429
2011,2011,2011,Gliquidone is a sulfonylurea drug used in the management of diabetes mellitus type 2.,COC1=CC2=C(C=C1)C(C)(C)C(=O)N(CCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1)C2=O,,Hydrocortisone acetate,DB07796
2012,2012,2012,Not Available,CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OP(C)(C)=O,,Droperidol,DB04122
2013,2013,2013,"Dicoumarol is an oral anticoagulant agent that works by interfering with the metabolism of vitamin K. In addition to its clinical use, it is also used in biochemical experiments as an inhibitor of reductases.",OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2,,Triflusal,DB02835
2014,2014,2014,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@H]2O)C1=O,,"[2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA",DB08785
2015,2015,2015,Interferon alfa-2a is a form of recombinant human interferon used to stimulate the innate antiviral response in the treatment of hepatitis B and C viruses.,,CDLPQTHSLGSRRTLMLLAQMRKISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,Phenindamine,DB06360
2016,2016,2016,Imipramine is a tricyclic antidepressant indicated for the treatment of depression and to reduce childhood enuresis.,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,,5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole,DB11676
2017,2017,2017,Mirabegron is a beta-3 adrenergic agonist used to treat overactive bladder and neurogenic detrusor overactivity.,NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O)C3=CC=CC=C3)C=C2)=CS1,,2-Fluoro-2-Deoxy-Beta-D-Galactopyranosyl-Beta-D-Glucopyranose,DB02547
2018,2018,2018,Not Available,[H]N1C(=O)CCN(C2C[C@H](O)[C@@H](CO)O2)C1=O,,Sulpiride,DB06534
2019,2019,2019,Resatorvid is an investigational compound designed for the treatment of severe sepsis.,[H][C@]1(CCCC=C1C(=O)OCC)S(=O)(=O)NC1=C(Cl)C=C(F)C=C1,,NU1025,DB08026
2020,2020,2020,"Alimemazine is an antihistamine agent used to prevent and relieve allergic conditions which cause pruritus and other allergic skin conditions, including urticaria.",CC(CN(C)C)CN1C2=CC=CC=C2SC2=CC=CC=C12,,Plecanatide,DB07227
2021,2021,2021,Not Available,CC1=NC=C(COP(O)(O)=O)C(CNCC(O)=O)=C1O,,3'-Oxo-Adenosine,DB15762
2022,2022,2022,A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA. [PubChem],CC(C(O)=O)C(O)=O,,Plozalizumab,DB01979
2023,2023,2023,Not Available,[H][C@@]1(N)C[C@]([H])(O)[C@@]([H])(CO)O[C@]1([H])O,,Mesobiliverdin IV alpha,DB04690
2024,2024,2024,"Inolimomab is under investigation as an agent to treat steroid-resistant graft vs host disease. It has thus far offered similar efficacy to other monoclonal antibody options, though it may carry a higher risk of infections.1",,,Apraclonidine,DB15647
2025,2025,2025,Not Available,[H]N([H])C(=NCCCCN([H])C(=O)[C@@H]1C[C@]2([H])CC[C@H](C[C@]2([H])N1C(=O)[C@H](N([H])C(=O)[C@H](O)CC1=CC=C(O)C=C1)[C@H](C)CC)OS(O)(=O)=O)N([H])[H],,"2-[(2-chloro-4-iodophenyl)amino]-N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluorobenzamide",DB01193
2026,2026,2026,Alprazolam is a triazolobenzodiazepine with intermediate onset commonly used to treat panic disorders and generalized anxiety in addition to anxiety associated with depression.,CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,,"4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE",DB04377
2027,2027,2027,Lumateperone is a novel 2nd generation antipsychotic used to manage both positive and negative symptoms in patients with schizophrenia.,[H][C@]12CCN(CCCC(=O)C3=CC=C(F)C=C3)C[C@@]1([H])C1=CC=CC3=C1N2CCN3C,,Ulipristal,DB08645
2028,2028,2028,Not Available,[H][C@@](CS(=O)(=O)CC1=CC=CC=C1)(N[C@@]([H])(C1=CC=C(O)C=C1)C(F)(F)F)C(=O)NC1(CN)CC1,,(4-ETHYLPHENYL)SULFAMIC ACID,DB00744
2029,2029,2029,Not Available,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])O)C(O)=O,,Methylethylamine,DB02887
2030,2030,2030,Synthetic decapeptide antagonist to gonadotropin releasing hormone (GnRH). It is marketed by Praecis Pharmaceuticals as Plenaxis. Praecis announced in June 2006 that it was voluntarily withdrawing the drug from the market.,CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,,Epicaptopril,DB04174
2031,2031,2031,Not Available,OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine,DB08933
2032,2032,2032,Not Available,C[C@H](SC1=NC(Cl)=CC(N)=N1)C1=CC2=C(OC=C2)C=N1,,"(7R)-7-(6,7-Dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid",DB07188
2033,2033,2033,"Levetiracetam is a novel anticonvulsant agent used as an adjunct medication to manage partial onset, myoclonic, and generalized tonic-clonic seizures in patients with epilepsy.",CC[C@H](N1CCCC1=O)C(N)=O,,Pimozide,DB06698
2034,2034,2034,Not Available,NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O,,FR236913,DB06961
2035,2035,2035,Not Available,[H][C@@](C)(O)CN1C=NC2=C(N)N=CN=C12,,Methadyl acetate,DB16394
2036,2036,2036,Not Available,OC1=C(SCC\C=C\P(O)(O)=O)C=CC=C1,,2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol,DB11761
2037,2037,2037,Not Available,C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC=C(C#N)C(I)=C1,,Nepafenac,DB06594
2038,2038,2038,Not Available,[H][C@](C)(COC1=CC(=CC(C)=C1)C(=O)N(CC)C(C)C)NC1=CC=NC=C1,,1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE,DB02592
2039,2039,2039,Alpha-1-proteinase inhibitor is a purified form of human alpha-1 proteinase inhibitor used to treat emphysema patients with associated alpha-1 proteinase inhibitor deficiency.,,EDPQGDAAQKTDTSHHDQDHPTFNKITPNLAEFAFSLYRQLAHQSNSTNIFFSPVSIATAFAMLSLGTKADTHDEILEGLNFNLTEIPEAQIHEGFQELLRTLNQPDSQLQLTTGNGLFLSEGLKLVDKFLEDVKKLYHSEAFTVNFGDTEEAKKQINDYVEKGTQGKIVDLVKELDRDTVFALVNYIFFKGKWERPFEVKDTEEEDFHVDQVTTVKVPMMKRLGMFNIQHCKKLSSWVLLMKYLGNATAIFFLPDEGKLQHLENELTHDIITKFLENEDRRSASLHLPKLSITGTYDLKSVLGQLGITKVFSNGADLSGVTEEAPLKLSKAVHKAVLTIDEKGTEAAGAMFLEAIPMSIPPEVKFNKPFVFLMIEQNTKSPLFMGKVVNPTQK,Cilgavimab,DB02906
2040,2040,2040,Not Available,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NCC1CC1,,Ximelagatran,DB07251
2041,2041,2041,Not Available,[H][C@]1(CC)O[C@]2(C)[C@]([H])(OC(C)=O)[C@@]1(C)O[C@@]([H])(\C=C\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1)[C@]2([H])O,,Phenylacetaldehyde,DB03139
2042,2042,2042,Osilodrostat is an oral inhibitor of cortisol synthesis used to treat Cushing's disease by normalizing hypercortisolism.,FC1=C(C=CC(=C1)C#N)[C@H]1CCC2=CN=CN12,,"Tert-butyl N-[(2S,5R)-6-[[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate",DB05014
2043,2043,2043,Not Available,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=C1,,Gefitinib,DB02627
2044,2044,2044,Not Available,CN1C=NC2=C1N=C(N)NC2=O,,Goserelin,DB00266
2045,2045,2045,Not Available,O=C(NC1=NC=CS1)NC1=CC(=CC=C1)S(=O)(=O)N1CCN(CC1)C1=CC=CC=N1,,"(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide",DB06587
2046,2046,2046,Not Available,CC1=CC=CC=C1CC(=O)NC1=CC(C)=C(C(C)=C1)S(=O)(=O)NCC(O)=O,,Dodecyl-Coa,DB14068
2047,2047,2047,Not Available,[H][C@]1(CCC2=CC=C(O)C=C12)NCC#C,,"1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE",DB00836
2048,2048,2048,R1626 is one of a new class of hepatitis C therapies called polymerase inhibitors. It achieves significant reductions in viral load in chronic hepatitis C patients infected with the difficult to treat genotype 1 virus. R1626 is very effective in inhibiting viral replication,,,Zk-806450,DB02086
2049,2049,2049,Not Available,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=C(C=C1)C#N,,"6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine",DB01010
2050,2050,2050,Rifampin is an antibiotic used alone or in combination with other antimicrobial drugs to treat tuberculosis and asymptomatic carriers of Neisseria meningitidis.,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C,,Formic acid,DB04774
2051,2051,2051,A non-metabolizable galactose analog that induces expression of the LAC operon.,CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,,LY-517717,DB07106
2052,2052,2052,Sulodexide is a drug used to treat chronic venous ulcers in the legs.,,,Calcitriol,DB03066
2053,2053,2053,Not Available,CNC(=O)[C@@H](N)C(C)(C)C,,(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE,DB09288
2054,2054,2054,Tramadol is a centrally-acting opioid agonist and SNRI (serotonin/norepinephrine reuptake inhibitor) used for the management of moderate to severe pain in adults.,COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C,,Phosphoenolpyruvate,DB02222
2055,2055,2055,Not Available,O=C1NC2=C(C=C1)[C@@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,,5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID,DB07024
2056,2056,2056,Not Available,[H][C@]12CS\C(=N/CCCCCCCC)N1[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O,,Equine Botulinum Neurotoxin A Immune FAB2,DB02468
2057,2057,2057,Not Available,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=NC=NN2C(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,,Phosphonopyruvate,DB07238
2058,2058,2058,Not Available,C[N+]1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2,,(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL,DB08272
2059,2059,2059,Not Available,OC(=O)COP(O)(O)=O,,Vorapaxar,DB00331
2060,2060,2060,A semisynthetic analgesic used in the study of narcotic receptors. It has abuse potential. [PubChem],[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CC[C@@H]2O,,2-aminoisobutyric acid,DB13928
2061,2061,2061,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=CC2=CC(=CC=C12)[N+]([O-])=O,,2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid,DB00156
2062,2062,2062,"Commonly known as decadron, dexamethasone acetate is a glucocorticosteroid previously marketed in the USA for the treatment of inflammatory respiratory, allergic, autoimmune, and other conditions.2,4,5 Developed in 1957, dexamethasone is structurally similar to other corticosteroids such as hydrocortisone and prednisolone.1 Dexamethasone acetate has largely been replaced by dexamethasone phosphate and continues to be administered for a large variety of inflammatory conditions.6",[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,"Inositol 1,3,4,5-Tetrakisphosphate",DB16355
2063,2063,2063,"ANX-510 (CoFactor) is a folate-based biomodulator drug being developed to enhance the activity and reduce associated toxicity of the widely used cancer chemotherapy, 5-fluorouracil (5-FU). CoFactor use with 5-FU is being evaluated in clinical trials in first line treatment of metastatic colorectal cancer.",,,Diethylene glycol diethyl ether,DB01818
2064,2064,2064,Not Available,CN(C1CCCCC1)C1=NC(=CC=N1)C1=CN=C2C=CC=CN12,,"4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol",DB07924
2065,2065,2065,"A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the gamma-aminobutyric acid-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates. [PubChem]",[H][C@@]12OC(=O)[C@@]34OC3C[C@@](O)(C3[C@@H](C1OC3=O)C(C)=C)[C@@]24C.[H][C@@]12C[C@@]3(O)C4[C@@H](C(OC4=O)[C@@]4([H])OC(=O)[C@]1(O2)[C@@]34C)C(C)(C)O,,N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL,DB07435
2066,2066,2066,Pramipexole is a non-ergot dopamine agonist used to treat the signs and symptoms of idiopathic Parkinson's disease and Restless Legs Syndrome (RLS).,CCCN[C@H]1CCC2=C(C1)SC(N)=N2,,Benzphetamine,DB01060
2067,2067,2067,Not Available,CCC[C@]1(C)SC(NC2CCCCCCC2)=NC1=O,,3-Amino-3-Oxopropanoic Acid,DB08424
2068,2068,2068,Not Available,O=C[C@@H]1CCC(=O)N1,,Nirsevimab,DB00433
2069,2069,2069,Hepatitis B immune globulin is an injection of immunoglobulin G (IgG) antibodies to prevent the development of chronic Hepatitis B infection.,,,Netarsudil,DB00568
2070,2070,2070,Not Available,O\C(C1CC1)=C(\C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1,,Enrasentan,DB08146
2071,2071,2071,"5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Known drug targets of 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole include genome polyprotein.",CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1,,N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE,DB03705
2072,2072,2072,Not Available,[H][C@](CO)(CCC1=CC=CC=C1)N1C=NC(=C1)C(N)=O,,Aluminium phosphate,DB05936
2073,2073,2073,Not Available,COC1=CC=C(C=C1)C1=C(C)NN=C1C1=C(O)C=C(O)C=C1,,Certolizumab pegol,DB07625
2074,2074,2074,Not Available,O=C(N1CCN(CC1)C1C2=CC=CC=C2C2=CC=CC=C12)C1=CC2=C(NC=C2)C=C1,,Brimonidine,DB03305
2075,2075,2075,Not Available,CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC1=C(Cl)C=C(C=C1)S(N)(=O)=O,,Fenoxaprop-ethyl,DB01319
2076,2076,2076,"A starch found in the tubers and roots of many plants. Since it is hydrolyzable to fructose, it is classified as a fructosan. It has been used in physiologic investigation for determination of the rate of glomerular function.",,,Siplizumab,DB04395
2077,2077,2077,Not Available,NC(=N)NOCCCOC1=CC(Cl)=CC(=C1)C(=O)N(CC=C)C1CCCC1,,Tezacaftor,DB06865
2078,2078,2078,"Rapacuronium is a nondepolarizing neuromuscular blocking agent used as an adjunct to general anesthesia to facilitate tracheal intubation, and to provide skeletal muscle relaxation during surgical procedures.",[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1,,Hypophosphite,DB07616
2079,2079,2079,Zilucoplan is a complement inhibitor used to treat generalized myasthenia gravis in anti-acetylcholine receptor (AChR) antibody-positive adults.,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CNC2=NC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N1)C(C)(C)C)C1CCCCC1)C(O)=O)C(O)=O,,Camrelizumab,DB01766
2080,2080,2080,Not Available,COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,REV131,DB06205
2081,2081,2081,"VP025, a novel drug formulation based on phospholipid microparticles incorporating phosphatidylglycerol, can inhibit neuroinflammation. VP025 may inhibit immune system activation and protect motoneurons from injury. It also shows the ability to reduce inflammation across the blood-brain barrier and improve correlates of memory and learning function. It is being developed to target the chronic inflammation within the central nervous system that is associated with a number of neurological diseases, including Alzheimer’s disease, Parkinson’s disease, and amyotrophic lateral sclerosis (Lou Gehrig’s disease). It is considered to be a systemic anti-inflammatory and neuroprotective agent.",,,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One",DB01662
2082,2082,2082,Lorpiprazole is a serotonin antagonist and reuptake inhibitor used for the treatment of major depressive disorder.1 It is a piperazinyl-triazole derivative.3,[H][C@@]12CCC[C@]1([H])C1=NN=C(CCN3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)N1C2,,Posizolid,DB08076
2083,2083,2083,"Droxidopa is a medication used to treat symptomatic neurogenic orthostatic hypotension (nOH) caused by dopamine beta-hydroxylase deficiency, non-diabetic autonomic neuropathy and primary autonomic failure caused by conditions such as Parkinson's disease.",N[C@@H]([C@H](O)C1=CC(O)=C(O)C=C1)C(O)=O,,SC-236,DB07120
2084,2084,2084,Not Available,C(NC1=CC(=NC2=C(C=NN12)C1CC1)C1=CC=CC=C1)C1=CN=CC=C1,,Entinostat,DB15599
2085,2085,2085,"CP-122721, neurokinin 1 (NK1) antagonist is developed by Pfizer to treat depression, emesis, and inflammatory diseases including asthma and irritable bowel syndrome.",COC1=CC=C(OC(F)(F)F)C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1,,Oxymetholone,DB08208
2086,2086,2086,Not Available,NC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCS,,9-N-Phenylmethylamino-Tacrine,DB00936
2087,2087,2087,Pemetrexed is a folate analog used to treat mesothelioma and non-small cell lung cancer.,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N1,,"1-{7-cyclohexyl-6-[4-(4-methylpiperazin-1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}methanamine",DB02752
2088,2088,2088,Not Available,O=NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,,3-Fluoro-L-tyrosine,DB00296
2089,2089,2089,Dapoxetine is a selective serotonin reuptake inhibitor used in the treatment of premature ejaculation.,CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C12)C1=CC=CC=C1,,RU79073,DB09088
2090,2090,2090,Lesinurad is a uric acid 1 transporter inhibitor typically used in combination with a xanthine oxidase inhibitor to treat hyperuricemia associated with gout in patients with inadequate control of uric acid levels with xanthine oxidase inhibitor monotherapy.,OC(=O)CSC1=NN=C(Br)N1C1=CC=C(C2CC2)C2=C1C=CC=C2,,"1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-2-OL",DB00095
2091,2091,2091,Not Available,OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=C(O)C=C(C=C1)C(O)=O,,"(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4(5H)-one",DB04493
2092,2092,2092,Pacritinib is a kinase inhibitor used for the treatment of primary and secondary myelofibrosis in adult patients with significantly reduced platelet counts.,C(CN1CCCC1)OC1=CC=C2NC3=NC=CC(=N3)C3=CC(COC\C=C\COCC1=C2)=CC=C3,,Sarpogrelate,DB07157
2093,2093,2093,Not Available,C[C@H](N)[C@@H](CCCCCC(O)=O)NC(O)=O,,S-(2-oxo)pentadecylcoa,DB05191
2094,2094,2094,"DAS-431 IV is a dopamine D1 receptor agonist developed by DrugAbuse Sciences for the treatment of Addictions, Schizophrenia, Schizoaffective Disorders, Dementia, Parkinson's Disease, Strokes etc.",,,Cyclothiazide,DB12742
2095,2095,2095,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(C)N=CN=C12,,Tetrafluoroaluminate Ion,DB08456
2096,2096,2096,Not Available,[H][C@](N)(CC1=CN(C=N1)C1=NNN=N1)C=O,,(2R)-2-({6-[benzyl(methyl)amino]-9-isopropyl-9H-purin-2-yl}amino)butan-1-ol,DB03936
2097,2097,2097,Not Available,ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1,,Apomorphine,DB07865
2098,2098,2098,Not Available,[H][C@](N)(CSSC)C(O)=O,,"N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N'-(4-chlorophenyl)urea",DB09270
2099,2099,2099,Not Available,OC(=O)CNC(=O)CC1=CNC2=C1C=CC=C2,,Nelarabine,DB07181
2100,2100,2100,Not Available,O=C(NC1=CC(=NN1)C1CC1)C1=CC=CC=C1,,"(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",DB02425
2101,2101,2101,Asunaprevir is an NS3 protease inhibitor used to treat hepatitis C genotype 1b.,COC1=CN=C(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)C2=C1C=CC(Cl)=C2,,METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER,DB06714
2102,2102,2102,Nitroaspirin has been investigated for the treatment of Intermittent Claudication.,CC(=O)OC1=CC=CC=C1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1,,N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide,DB11571
2103,2103,2103,Not Available,O=C1NCC2=C3C(NC4=CC=CC=C34)=C3NC4=C(C=CC=C4)C3=C12,,7-Deaza-7-Aminomethyl-Guanine,DB01964
2104,2104,2104,Not Available,COC1=C(NC2=NC3=C(C=CN3)C(NC3=CC=CC(F)=C3C(N)=O)=N2)C=CC(CS(C)(=O)=O)=C1,,SP2456,DB04195
2105,2105,2105,Nedocromil is a pyrano quinoline used to treat allergic conjunctivitis.,CCCC1=C2N(CC)C(=CC(=O)C2=CC2=C1OC(=CC2=O)C(O)=O)C(O)=O,,6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,DB04751
2106,2106,2106,Not Available,N[C@@H](CC1=CC=CC=C1)C(N)=O,,Ergocalciferol,DB02968
2107,2107,2107,"Sufentanil is an opioid used to induce and maintain anesthesia, to act as an analgesic in labor and delivery, and to treat severe, acute pain.",CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1,,Prucalopride,DB09283
2108,2108,2108,Benralizumab is a monoclonal antibody used to treat severe eosinophilic asthma.,,EVQLVQSGAEVKKPGASVKVSCKASGYTFTSYVIHWVRQRPGQGLAWMGYINPYNDGTKYNERFKGKVTITSDRSTSTVYMELSSLRSEDTAVYLCGREGIRYYGLLGDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Coagulation Factor IX Human,DB13898
2109,2109,2109,Not Available,[H][C@@](C)(NC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,,E5531,DB03525
2110,2110,2110,Not Available,NS(=O)(=O)OC1=CC=C2C=C(CC3CCCCCC3)S(=O)(=O)C2=C1,,Bromfenac,DB03384
2111,2111,2111,Not Available,NCC1=CC(CSC2=CC=CC=C2)=C2N=C(N)NC(=O)C2=C1,,"6-ETHYL-5-[9-(3-METHOXYPROPYL)-9H-CARBAZOL-2-YL]PYRIMIDINE-2,4-DIAMINE",DB03430
2112,2112,2112,"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1h-pyrazol-4-yl)-2,3-dihydro-1h-inden-1-one oxime is a solid. This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. It targets the protein serine/threonine-protein kinase B-raf.",O\N=C1/CCC2=CC(=CC=C12)C1=CN(N=C1C1=CC=NC=C1)C1CCNCC1,,5-phenylpentanoic acid,DB06829
2113,2113,2113,Phenyltoloxamine is a medication used to treat minor aches and pains.,CN(C)CCOC1=CC=CC=C1CC1=CC=CC=C1,,"(2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",DB00309
2114,2114,2114,Not Available,C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)=C1O,,Talimogene laherparepvec,DB02813
2115,2115,2115,Not Available,O[C@H](C#N)C1=CC=C(O)C=C1,,Prinaberel,DB04454
2116,2116,2116,"Semaglutide is a glucagon-like peptide 1 receptor agonist used to improve glycemic control in type 2 diabetes mellitus, treat obesity, and reduce the risk of major adverse cardiovascular events in selected adults.",CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](NC(=O)CCCCCCCCCCCCCCCCC(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC1=CN=CN1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O,,Elvucitabine,DB06983
2117,2117,2117,ATL146e is an anti-inflammatory compounds which is an agonist of A2A adenosine receptors.,,,"3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID",DB08882
2118,2118,2118,Not Available,CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,,S-(N-hydroxy-N-bromophenylcarbamoyl)glutathione,DB03448
2119,2119,2119,Niacin is a B vitamin used to treat hypertriglyceridemia and pellagra.,OC(=O)C1=CN=CC=C1,,C-1027 Aromatized chromophore,DB02511
2120,2120,2120,Benzylpenicilloyl polylysine is a penicillin derivative used to determine penicillin allergies.,[H]N[C@H](CCCCN)C(O)=O.[H]N[C@H](CCCCNC(=O)C(NC(=O)CC1=CC=CC=C1)[C@]1([H])N[C@@H](C(O)=O)C(C)(C)S1)C(O)=O,,Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-galactose,DB16324
2121,2121,2121,Sapropterin is a cofactor used as an adjunct to phenylalanine restriction in the treatment of phenylketonuria (PKU).,[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O,,"1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE",DB07014
2122,2122,2122,Not Available,[H][C@@](CN)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,Gallium Ga-68 gozetotideCommonly known or available as Ga 68 PSMA-11,DB01940
2123,2123,2123,Not Available,FC(F)(F)C1=CC(=CC=C1)C1=CCN(CCC2=CC3=CC=CC=C3C=C2)CC1,,Diphemanil,DB11148
2124,2124,2124,Not Available,OC1=C(Br)C=C(C=C1)C1(OC(=O)C2=C3C(C=CC=C13)=C(Cl)C=C2)C1=CC(Br)=C(O)C=C1,,Paliperidone,DB01715
2125,2125,2125,Ticarcillin is a beta lactam antibiotic used to treat a variety of infections in the body.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](C(O)=O)C1=CSC=C1)C(O)=O,,"[N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine",DB01741
2126,2126,2126,Kynurenic Acid is under investigation in clinical trial NCT02340325 (FS2 Safety and Tolerability Study in Healthy Volunteers).,OC(=O)C1=CC(=O)C2=CC=CC=C2N1,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide,DB00313
2127,2127,2127,Not Available,CC1=CC=CC(=N1)C1=C(CNN1)C1=CC=C2N=CC=CC2=N1,,Donepezil,DB00083
2128,2128,2128,Not Available,[Cu]12[Cu]3[Cu]4[Cu]1S234,,Emopamil,DB05971
2129,2129,2129,Not Available,[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,,Odronextamab,DB01581
2130,2130,2130,Not Available,OC(=O)CC1=CNC2=CC=CC=C12,,"2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",DB00796
2131,2131,2131,"Brexpiprazole is a serotonin–dopamine activity modulator used in the treatment of major depressive disorder as an adjunct, schizophrenia, and agitation associated with dementia due to Alzheimer’s disease.",O=C1NC2=CC(OCCCCN3CCN(CC3)C3=C4C=CSC4=CC=C3)=CC=C2C=C1,,Human thrombin,DB05017
2132,2132,2132,Not Available,[H]N(C(C)=O)[C@]([H])(CC1=C2C=CC=CC2=CC=C1)[B-](O)(O)O,,(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide,DB11737
2133,2133,2133,"Anti-SARS-COV-2 REGN-COV2 is a combination of novel antibodies designed by Regeneron for both the prevention and treatment of SARS-COV-2, the virus that causes COVID-19. This drug is a combination of the antibodies REGN10933 and REGN10987, derived from humanized VelocImmune® mice in addition to blood samples from patients who have recovered from COVID-19. These antibodies have been formulated to bind to multiple locations on the SARS-COV-2 spike protein, preventing viral escape.1 Two upcoming publications in the journal, Science, will provide additional information about preclinical research with the Anti-SARS-COV-2 REGN-COV2 antibody cocktail.2",,,O-Benzylsulfonyl-Serine,DB06911
2134,2134,2134,Belimumab is a B-lymphocyte stimulator (BLyS)-specific inhibitor used to treat systemic lupus erythematosus and active lupus nephritis as an add-on therapy.,,SSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS,Sulfasalazine,DB08435
2135,2135,2135,Not Available,[H]N([C@@H](CCC(O)=O)CCC1=CC=CC=C1)C(=O)CCCCCCC1=CC=CC=C1,,6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE,DB08588
2136,2136,2136,Not Available,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(O)(=O)=O)=C1/N([H])C2=CC=CC=C2C1=O,,"5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE",DB02190
2137,2137,2137,Insulin glargine is a modified form of long-acting or basal insulin used to control hyperglycemia in diabetes mellitus.,,GIVEQCCTSICSLYQLENYCG,Ublituximab,DB03405
2138,2138,2138,Not Available,O=C1C=C(OC2=C1C=CC1=C2C=CC=C1)C1=CC=CC=C1,,6-O-Cyclohexylmethyl Guanine,DB07989
2139,2139,2139,Loxoprofen is an NSAID used to treat pain and inflammation in musculoskeletal conditions.,CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1,,(3-Carboxy-2-(R)-Hydroxy-Propyl)-Trimethyl-Ammonium,DB00384
2140,2140,2140,Not Available,CCCCCC\C=C/CCCCCCCCCC(O)=O,,Riboflavin,DB07627
2141,2141,2141,"Oxygen is an essential element for human survival used in clinical conditions in which there is a lack of oxygen, such as, but not limited to, anoxia, hypoxia or dyspnea.",O=O,,N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE,DB00299
2142,2142,2142,UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.,CC(C)=CCOC1=C(Cl)C=CC(NC(=S)C2=C(C)OC=C2)=C1,,Oxacillin,DB00010
2143,2143,2143,"AMG-131 (T131), an orally-administered therapy, is expected to lower blood glucose in type II diabetic patients by improving the body’s ability to respond to insulin. T131 is a selective modulator of PPARg (peroxisome proliferator activated receptor gamma), a receptor involved in regulating the body’s ability to respond to insulin. T131 is not structurally related to the thiazolidinedione class of PPARg agonists, which includes Actos and Avandia.",ClC1=CC=C(C(Cl)=C1)S(=O)(=O)NC1=CC(Cl)=C(OC2=CN=C3C=CC=CC3=C2)C(Cl)=C1,,Guanidine,DB02897
2144,2144,2144,Not Available,OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1,,Cediranib,DB00423
2145,2145,2145,Not Available,O=C1NC2=CC=C(C=C2\C1=C\NC1=CC2=C(CS(=O)(=O)C2)C=C1)C1=CN=CO1,,Ondansetron,DB05431
2146,2146,2146,"Aleglitazar is an investigational drug from the company Hoffmann–La Roche and is currently in a phase III clinical trial called ALECARDIO. It is being investigated for use in patients with type II diabetes to reduce their risks of cardiovascular mortality and morbidity. Aleglitazar is an agonist at the peroxisome proliferator-activated receptor (PPAR) for both the PPARα and PPARγ receptor subtypes. In the phase II clinical trial called SYNCHRONY, with type II diabetic patients, aleglitazar was able to control both lipid and glucose levels in a synergistic manner while also having limited side effects and toxicity.",CO[C@@H](CC1=CC=C(OCCC2=C(C)OC(=N2)C2=CC=CC=C2)C2=C1SC=C2)C(O)=O,,Iloperidone,DB07549
2147,2147,2147,Not Available,CC#CCNC1=CC=C(C=C1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO,,"1,3-Propanediol",DB08804
2148,2148,2148,Not Available,[H][C@]1(O)[C@]([H])(O)[C@]([H])(COP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,,Pentagastrin,DB03017
2149,2149,2149,Zalcitabine is a dideoxynucleoside used to treat HIV.,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1,,(5r)-5-Amino-6-Hydroxyhexylcarbamic Acid,DB12855
2150,2150,2150,Not Available,C[C@H]1CN2C(=S)NC3=CC(Cl)=CC(CN1CC=C(C)C)=C23,,Ado-P-Ch2-P-Ps-Ado,DB02313
2151,2151,2151,Not Available,CC1=CC=C(C=C1)S(O)(=O)=O,,Trimesic acid,DB01433
2152,2152,2152,"Huperzine A, is a naturally occurring sesquiterpene alkaloid found in the extracts of the firmoss Huperzia serrata. The botanical has been used in China for centuries for the treatment of swelling, fever and blood disorders. Recently in clinical trials in China, it has demonstrated neuroprotective effects. It is currently being investigated as a possible treatment for diseases characterized by neurodegeneration – particularly Alzheimer’s disease.",[H][C@@]12CC3=C(C=CC(=O)N3)[C@@](N)(CC(C)=C1)\C2=C\C,,"5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE",DB14533
2153,2153,2153,Tisotumab vedotin is a tissue factor-directed antibody drug conjugate that is used to treat adults with recurrent or metastatic cervical cancer with disease progression on or after chemotherapy.,,,Dodecyl-Alpha-D-Maltoside,DB05983
2154,2154,2154,"Cefepime is a fourth-generation cephalosporin antibiotic used in the treatment of infections caused by susceptible bacteria, such as pneumonia, urinary tract infections, and skin infections.",CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1,,8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide,DB03595
2155,2155,2155,Not Available,C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,,"1,3-bis-([[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-ethyl]-amino-carbonyloxy)-2-amino-propane",DB07095
2156,2156,2156,"Dexlansoprazole is a proton pump inhibitor used to treat erosive esophagitis, heartburn, and gastroesophageal reflux disease (GERD).",CC1=C(OCC(F)(F)F)C=CN=C1C[S@@](=O)C1=NC2=CC=CC=C2N1,,"2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide",DB09091
2157,2157,2157,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@]([H])(CC1=CC(=CC=C1)C#N)B(O)O,,Thonzonium,DB08356
2158,2158,2158,Not Available,CC1(C(=O)NC(=O)NC1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,,alpha-Linolenic acidCommonly known or available as Linolenic acid,DB04229
2159,2159,2159,Glutethimide is a hypnotic and sedative. Its use has been largely superseded by other drugs.,CCC1(CCC(=O)NC1=O)C1=CC=CC=C1,,{1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER,DB00863
2160,2160,2160,Not Available,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O,,Albutrepenonacog alfa,DB05389
2161,2161,2161,Not Available,[H][C@]12NC3=C(N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)O2)C(=O)NC(N)=N3,,"R-2-{[4'-Methoxy-(1,1'-Biphenyl)-4-Yl]-Sulfonyl}-Amino-6-Methoxy-Hex-4-Ynoic Acid",DB04014
2162,2162,2162,Capreomycin is an aminoglycoside antibiotic used as an adjunct drug in tuberculosis.,[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O,,"2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Allopyranoside",DB15271
2163,2163,2163,Not Available,CC1=CC=C(NC2=CC(=NC=N2)C2=CC=CC=C2)C=C1NS(C)(=O)=O,,4-hydroxybenzyl coenzyme A,DB01098
2164,2164,2164,Not Available,OC[C@@H](O)CC1=CC=CC=C1,,2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL,DB04548
2165,2165,2165,Naldemedine is an opioid antagonist used to to treat opioid-induced constipation.,[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O,,Tetracycline,DB07560
2166,2166,2166,Not Available,NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,,"5-[4-(2-Hydroxyethyl)-1-piperidinyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione",DB07397
2167,2167,2167,Not Available,[H][C@]1(N)S[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,,beta-D-Galactosamine,DB04296
2168,2168,2168,Not Available,CCOC1=CC=C(OCC)C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)=C1,,"4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine",DB02033
2169,2169,2169,Not Available,[H][C@](N)(CSCC1=CC=C(Br)C=C1)C(O)=O,,Carprofen,DB01815
2170,2170,2170,Not Available,CC1=C2NC=NC2=NC=N1,,Fimasartan,DB00998
2171,2171,2171,Not Available,CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1,,N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide,DB00267
2172,2172,2172,"VX-148 is a second-generation, orally administered inhibitor of inosine monophosphate dehydrogenase (IMPDH). The IMPDH enzyme plays a key role in regulating immune response and proliferation of specific cell types, including lymphocytes. VX-148 is a developed for the treatment of autoimmune diseases.",,,Calcium citrate,DB05064
2173,2173,2173,"A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose.",OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,,Mesalazine,DB08478
2174,2174,2174,GTI-2040 is a substance that is being studied as a treatment for cancer. It belongs to the family of drugs called antisense oligonucleotides.,,,Loxoprofen,DB09049
2175,2175,2175,Not Available,OS(=O)(=O)CCNC1CCCCC1,,Ginkgo biloba,DB06486
2176,2176,2176,Not Available,CCCC1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,,Dantrolene,DB05744
2177,2177,2177,"Clobetasone is a corticosteroid used to treat dry eyes, eczema, and dermatitis.",[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@]2(C)[C@@]1(O)C(=O)CCl,,2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine,DB08896
2178,2178,2178,Not Available,CCCC(=O)C(\O)=C\OP(O)(O)=O,,Human blood group H type 1 trisaccharide,DB04857
2179,2179,2179,Calcium is a mineral found in over-the-counter supplements or prescription formulations used for the treatment of specific medical conditions related to calcium deficiency.,[Ca],,Amantadine,DB07594
2180,2180,2180,Not Available,O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=CC=C1)OCC1=CC=CC=C1,,MK-0752,DB01401
2181,2181,2181,"Clove oil is obtained by extraction from the dried flower buds of the clove plant. Traditionally, it has been used as a flavouring spice in foods, or as a fragrance. It is also found in topical analgesics. Clove oil has shown to exert some antimicrobial activities. The antioxidant and antimicrobial activity of clove is higher than that of many fruits, vegetables, and other spices 2.",,,Avacopan,DB06480
2182,2182,2182,Estrone is an estrogen used to treat perimenopausal and postmenopausal symptoms.,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,"2',3'-Dideoxycytidine-5'-Monophosphate",DB03837
2183,2183,2183,"Carfentanil or carfentanyl (Wildnil) is an analogue of the popular synthetic opioid analgesic fentanyl, and is one of the most potent opioids known (also the most potent opioid used commercially). Carfentanil was first synthesized in 1974 by a team of chemists at Janssen Pharmaceutica which included Paul Janssen. It has a quantitative potency approximately 10,000 times that of morphine and 100 times that of fentanyl, with activity in humans starting at about 1 microgram. It is marketed under the trade name Wildnil as a general anaesthetic agent for large animals. Carfentanil is intended for large-animal use only as its extreme potency makes it inappropriate for use in humans. Currently sufentanil, approximately 10–20 times less potent (500 to 1000 times the efficacy of morphine per weight) than carfentanil, is the maximum strength fentanyl analog for use in humans.",CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC2=CC=CC=C2)CC1)C(=O)OC,,Olodanrigan,DB02018
2184,2184,2184,"Triclosan is an antimicrobial agent in clinical setting for disinfection, and prevention of spread and growth of bacteria, fungus, and mildew.",OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1,,Alpha-L-Arabinose,DB02604
2185,2185,2185,Lipegfilgrastim is a medication used to reduce the duration of chemotherapy-induced neutropenia and incidence of febrile neutropenia in cytotoxic chemotherapy.,,MTPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWAPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQP,D-Glycero-D-Mannopyranose-7-Phosphate,DB07082
2186,2186,2186,Not Available,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C3CCCC3)C2=N1,,Diamorphine,DB06070
2187,2187,2187,Not Available,[H]N([H])[C@@H](C(=O)N([H])[C@H](C=O)[C@@]1([H])SC(C)(C)[C@@H](N1[H])C(O)=O)C1=CC=C(O)C=C1,,Milrinone,DB04803
2188,2188,2188,AZD 3355 is a reflux inhibitor used for the treatment of Gastroesophageal Reflux Disease. It is developed by AstraZeneca and is currently in phase I/II trials.,,,Ethyl-Trimethyl-Silane,DB08337
2189,2189,2189,Not Available,CN,,Suramin,DB02991
2190,2190,2190,Vecuronium is a nondepolarizing neuromuscular blocking agent used to relax muscles or as an adjunct in general anesthesia during surgical procedures.,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1,,"2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol",DB08515
2191,2191,2191,"Tofisopam (marketed under brand names Emandaxin and Grandaxin) is a 2,3-benzodiazepine drug which is a benzodiazepine derivative. In contrast to classical 1,4-benzodiazepines, the compound does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor and its psychopharmacological profile differs from such compounds. Although Tofisopam is not approved for sale in North America, it is approved for use in various countries worldwide, including parts of Europe. The D-enantiomer (dextofisopam) is currently in phase II trials in the U.S. for the treatment of irritable bowel syndrome.",CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1,,"N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE",DB02477
2192,2192,2192,"1-Testosterone is an anabolic steroid that differs from testosterone by having a 1,2-double bond instead of 4,5-double bond in its A ring.",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)C=C[C@]12C,,"6-[3-(4-Morpholinyl)Propyl]-2-(3-Nitrophenyl)-5-Thioxo-5,6,-Dihydro-7h-Thienol[2',3':4,5]Pyrrolo[1,2-C]Imidazol-7-One",DB07960
2193,2193,2193,Not Available,CCN(CC)C(=O)[C@@H]1O[C@H](C[C@H](N)[C@H]1NC(C)=O)C(O)=O,,4-methylthio-2-oxobutanoic acid,DB00617
2194,2194,2194,Didanosine is a reverse transcriptase inhibitor used to treat HIV.,OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O,,"{4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID",DB02448
2195,2195,2195,Not Available,NC(=N)SCCC1=CC=C(CCSC(N)=N)C=C1,,Bambuterol,DB00841
2196,2196,2196,Not Available,CCCCNC(=O)C1=CC=CC(NC(=O)CCCCCNC2=C3N=CNC3=NC=N2)=C1,,GW-3965,DB00407
2197,2197,2197,Not Available,CN(CCCCC(O)=O)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1,,Norethisterone,DB01413
2198,2198,2198,The N-acetyl derivative of glucosamine.,[H]C(=O)[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO,,Hydroxyfasudil,DB00346
2199,2199,2199,Danazol is a synthetic steroid and pituitary gonadotropin inhibitor used in the treatment of endometriosis and symptomatic treatment of severe pain and tenderness associated with benign fibrocystic breasts.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC3=C(C[C@]12C)C=NO3,,Daclizumab,DB04531
2200,2200,2200,Not Available,O=C(NC1=CNN=C1C1=NC2=C(N1)C=CC=C2)C1=CC=CC=C1,,Amido Phenyl Pyruvic Acid,DB07291
2201,2201,2201,Not Available,COC1=CC(=CC(OC)=C1OC)N(C)C[C@H]1CCC2=C(C1)C(N)=N[C@H](N)N2,,Rimonabant,DB11855
2202,2202,2202,"Sodium Carbonate is the disodium salt of carbonic acid with alkalinizing property. When dissolved in water, sodium carbonate forms carbonic acid and sodium hydroxide. As a strong base, sodium hydroxide neutralizes gastric acid thereby acting as an antacid.",[Na+].[Na+].[O-]C([O-])=O,,rhIGFBP-3,DB04610
2203,2203,2203,Not Available,[H][C@](O)([C@@]1([H])CCCC=C1)[C@]1(NC(=O)[C@]2([H])CCO[C@]12C)C=O,,Choline magnesium trisalicylate,DB04320
2204,2204,2204,Not Available,[H][C@]1(OC2=C(C=C(C=C2)C2=C(N)N=C(N)N=C2CC)N(CCCOC)C1=O)C1=CC(F)=CC(F)=C1,,Rurioctocog alfa pegol,DB04315
2205,2205,2205,"A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones. [PubChem]",O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,,Trifluoperazine,DB02509
2206,2206,2206,Not Available,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC=CC=C1[O-],,AZD-7325,DB07941
2207,2207,2207,Tositumomab is a monoclonal anti-CD20 antibody used to treat B-cell non-Hodgkin's lymphoma via a conjugated radioactive isotope.,,QAYLQQSGAELVRPGASVKMSCKASGYTFTSYNMHWVKQTPRQGLEWIGAIYPGNGDTSYNQKFKGKATLTVDKSSSTAYMQLSSLTSEDSAVYFCARVVYYSNSYWYFDVWGTGTTVTVSGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide,DB07934
2208,2208,2208,"An irreversible cholinesterase inhibitor with actions similar to those of echothiophate. It is a powerful miotic used mainly in the treatment of glaucoma. Its vapor is highly toxic and it is recommended that only solutions in arachis oil be used therapeutically. (From Martindale, The Extra Pharmacopoeia, 29th ed, p1330)",CC(C)OP(F)(=O)OC(C)C,,Doxefazepam,DB07717
2209,2209,2209,Not Available,CCCCN1C(CC2=CC=C(OC)C=C2)=NC2=C(N)N=CN=C12,,Nintedanib,DB04893
2210,2210,2210,"Ulimorelin is a novel small molecule ghrelin agonist being developed by Tranzyme Pharma as a first-in-class treatment for both POI and diabetic gastroparesis, serious medical conditions in which motility of the GI tract is severely impaired.",C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC2=CC=C(F)C=C2)C(=O)NCCCC2=CC=CC=C2O1,,"5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",DB06779
2211,2211,2211,"Tamsulosin is an alpha-1A and alpha-1B adrenergic receptor antagonist used to treat benign prostatic hyperplasia, ureteral stones, prostatitis, and female voiding dysfunction.",CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O,,Elafin,DB07087
2212,2212,2212,"Escitalopram is a selective serotonin re-uptake inhibitor used in the treatment of major depressive disorder (MDD), generalized anxiety disorder (GAD), and other select psychiatric disorders such as obsessive-compulsive disorder (OCD).",CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,,Cloxazolam,DB00765
2213,2213,2213,Not Available,[H]N([C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)CC1=CC=CC=C1)C(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OCC1=CC=CC=C1,,Bumetanide,DB06288
2214,2214,2214,Not Available,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCC1=C(F)C=C(C=C1)C#N)C=C2)C(O)=O,,1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA,DB07922
2215,2215,2215,Not Available,OP(O)(=O)N[P@](O)(=O)OP(O)(O)=O,,Tenofovir disoproxil,DB09054
2216,2216,2216,3'-deoxyguanosine is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. This medication targets the protein purine nucleoside phosphorylase.,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O,,"5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE",DB14922
2217,2217,2217,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)CCCCCCCCCCCCC)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,PARA-NITROBENZYL GLUTARYL GLYCINIC ACID,DB04731
2218,2218,2218,Not Available,OC(=O)C1=CC=C(CC2=CC=CC=C2Cl)O1,,"(6S)-N-[(2S,3R,6R,7R)-3-(Acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-6-[(2-aminoacetyl)amino]-7-hydroxy-7-oxoheptanimidate",DB04724
2219,2219,2219,"Reduced Fab fragment of the murine IgG1 monoclonal antibody IMMU-4 (also called NP-4) with specificity for carcinoembryonic antigen (CEA) covalently labeled with Technitium 99. The molecule has a molecular weight of ~54,000 Daltons.",,EVKLVESGGGLVQPGGSLRLSCATSGFTFTDYYMNWVRQPPGKALEWLGFIGNKANGYTTEYSASVKGRFTISRDKSQSILYLQMNTLRAEDSATYYCTRDRGLRFYFDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDCPPCKCPAPNLLGGPSVFIFPPKIKDVLMISLSPIVTCVVVDVSEDDPDVQISWFVNNVEVHTAQTQTHREDYNSTLRVVSALPIQHQDWMSGKEFKCKVNNKDLPAPIERTISKPKGSVRAPQVYVLPPPEEEMTKKQVTLTCMVTDFMPEDIYVEWTNNGKTELNYKNTEPVLDSDGSYFMYSKLRVEKKNWVERNSYSCSVVHEGLHNHHTTKSFSR,alpha-D-quinovopyranose,DB09220
2220,2220,2220,"Fenofibrate is a peroxisome proliferator receptor alpha activator used to lower LDL-C, total-C, triglycerides, and Apo B, while increasing HDL-C in hypercholesterolemia, dyslipidemia, and hypertriglyceridemia.",CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1,,"5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE",DB05895
2221,2221,2221,Not Available,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@@H]1O)N1C=NC2=C1C=NC(=O)N2,,"N,N-[2,5-O-[Dibenzyl]-glucaryl]-DI-[isoleucyl-amido-methane]",DB03240
2222,2222,2222,Procyclidine is an antispasmodic drug used to treat parkinsonism of various types and in the treatment of extrapyramidal symptoms.,OC(CCN1CCCC1)(C1CCCCC1)C1=CC=CC=C1,,Merimepodib,DB00178
2223,2223,2223,"Ginsenosides are a class of steroid glycosides, and triterpene saponins, found exclusively in the plant genus Panax (ginseng). Ginsenosides have been the target of research, as they are viewed as the active compounds behind the claims of ginseng's efficacy. Because ginsenosides appear to affect multiple pathways, their effects are complex and difficult to isolate. Rb1 appears to be most abundant in Panax quinquefolius (American Ginseng). Rb1 seems to affect the reproductive system in animal testicles. Recent research shows that Rb1 affects rat embryo development and has teratogenic effects, causing birth defects. Another study shows that Rb1 may increase testosterone production in male rats indirectly through the stimulation of the luteinizing hormone.",[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)C(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,,Cyclic GMP,DB14715
2224,2224,2224,Not Available,OS(=O)(=O)CCCSC1=NC2=C(S1)C=CC=C2,,Enoxaparin,DB12328
2225,2225,2225,Not Available,[H][C@]1(COC(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Dexloxiglumide,DB08714
2226,2226,2226,Not Available,[H]N(N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)N([H])N([H])C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1,,OPB-111077,DB07943
2227,2227,2227,Not Available,CC(C)C1=C(OC#CC2CC2)C2=CC(F)=CC=C2NC1=O,,"3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid",DB02267
2228,2228,2228,Not Available,[H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C,,Inclisiran,DB02846
2229,2229,2229,Not Available,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(F)=CC=C1[O-],,Piclamilast,DB01261
2230,2230,2230,"PPI-2458 represents a potentially new and important addition to the growing list of therapeutics aimed at specific molecular oncology targets. PPI-2458 is a novel, proprietary molecule belonging to the fumagillin class of compounds that specifically targets the MetAP-2 enzyme. This class of compounds has been shown to prevent both abnormal cell growth and the formation of new blood vessels (known as angiogenesis), which contribute to the growth of aberrant tissues in diseases such as cancer and rheumatoid arthritis. Clinical development with previous fumagillin derivatives has been limited by their toxicity profile. In preclinical studies to date, PPI-2458 has demonstrated the potent pharmacologic activity of this class of compounds while displaying an improved pharmacokinetic and toxicity profile.",[H][C@@]1([C@H](OC)[C@@H](CC[C@]11CO1)OC(=O)N[C@H](C(C)C)C(N)=O)[C@@]1(C)O[C@@H]1CC=C(C)C,,MK-0731,DB07275
2231,2231,2231,Not Available,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1)[N+]([O-])=O,,Ligandrol,DB15165
2232,2232,2232,Pantothenic acid is a vitamin B5 found in various nutritional supplements.,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,,Dextromethorphan,DB07064
2233,2233,2233,Indomethacin is a nonsteroidal anti-inflammatory (NSAID) used for symptomatic management of chronic musculoskeletal pain conditions and to induce closure of a hemodynamically significant patent ductus arteriosus in premature infants.,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O,,"6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine",DB08662
2234,2234,2234,Aprindine is a cardiac depressant used in arrhythmias.,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1,,TACRINE(8)-4-AMINOQUINOLINE,DB06603
2235,2235,2235,Azithromycin is a macrolide antibiotic used to treat a variety of bacterial infections.,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,,"2-Amino-3-(3-Hydroxy-7,8-Dihydro-6h-Cyclohepta[D]-4-Isoxazolyl)Propionic Acid",DB03782
2236,2236,2236,Sulfanilamide is a sulfonamide anti-infective used to treat vulvovaginal candidiasis caused by Candida albicans.,NC1=CC=C(C=C1)S(N)(=O)=O,,Ethosuximide,DB07309
2237,2237,2237,Alogliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor used to treat hyperglycemia in patients with type 2 diabetes mellitus.,CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(CC2=C(C=CC=C2)C#N)C1=O,,"(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-3-(1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-2H-INDOL-2-ONE",DB06134
2238,2238,2238,Not Available,CC1=CC=CC(=C1)C1=CC2=C(N1)C=CC(=C2)C(N)=N,,Etelcalcetide,DB08780
2239,2239,2239,Leucine is an amino acid commonly found as a component of total parenteral nutrition.,CC(C)C[C@H](N)C(O)=O,,Oxaloacetate Ion,DB05087
2240,2240,2240,,CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC=CC(=C1)S(=O)(=O)NC(C)(C)C,,Ombitasvir,DB00385
2241,2241,2241,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=CC=CC=C23)[C@]([H])(O)[C@]1([H])O,,L-[(N-Hydroxyamino)Carbonyl]Phenylalanine,DB04958
2242,2242,2242,Not Available,FC(F)(F)C1=CC=CC=C1NN=C1C(=N)N=NC1=N,,Sunitinib,DB11779
2243,2243,2243,"Quinapril is an ACE inhibitor prodrug used to treat hypertension, congestive heart failure, and slow rate of progression of renal disease.",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O,,"5-AMINO-2-{4-[(4-AMINOPHENYL)SULFANYL]PHENYL}-1H-ISOINDOLE-1,3(2H)-DIONE",DB08251
2244,2244,2244,Not Available,[H][C@](C)(O)CC(=O)O[C@]([H])(C)CC(=O)O[C@]([H])(C)CC(=O)OC,,Obinepitide,DB12450
2245,2245,2245,Not Available,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1,,R673,DB06728
2246,2246,2246,"OBE101 is a new weight loss drug developed by Obecure Ltd. It is a new formulation that is based on the vertigo medication, Betahistine. Obecure is repurposing betahistine, which is an H1 receptor agonist and partial H3 receptor antagonist for the treatment of obese individuals and for other weight management indications.",,,"1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea",DB00256
2247,2247,2247,Dihydro-alpha-ergocryptine is a nootropic with an unknown mechanism of action indicated in individuals over sixty who manifest signs and symptoms of an idiopathic decline in mental capacity.,[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,,2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER,DB07041
2248,2248,2248,Not Available,OC(=O)\C=C\C(O)=O,,Tulobuterol,DB07883
2249,2249,2249,Not Available,[H][C@@](CC(C)C)(NC(=O)CCCCCCCCCCCN1C=CN=C1)C(O)=O,,Darglitazone,DB04125
2250,2250,2250,Not Available,[H][C@](NC(=O)OC(C)(C)C)(C(C)C)C(=O)NC1=CC=CC(Cl)=C1C=O,,Pseudoephedrine,DB03878
2251,2251,2251,Mometasone is a corticosteroid with no indications.,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,"(1R,2R)-N-(2-Aminoethyl)-2-{[(4-methoxyphenyl)sulfonyl]methyl}cyclohexanecarboxamide",DB03980
2252,2252,2252,Not Available,OCN(O)CCCC1=CC=CC=C1,,Cladribine,DB05343
2253,2253,2253,Otenabant has been investigated for the treatment of Obesity.,CCNC1(CCN(CC1)C1=C2N=C(N(C2=NC=N1)C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl)C(N)=O,,Etoperidone,DB02178
2254,2254,2254,Enoxaparin is a low molecular weight heparin used for the prophylaxis of deep vein thrombosis and ischemic complications of unstable angina and non-Q-wave myocardial infarction.,,,Arhalofenate,DB07455
2255,2255,2255,Not Available,CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCCOP(O)(O)=O,,Fluorescin,DB02243
2256,2256,2256,,CC1=C(SC(NC(=O)N2CCC[C@H]2C(N)=O)=N1)C1=CC(=NC=C1)C(C)(C)C(F)(F)F,,Bamlanivimab,DB00219
2257,2257,2257,Not Available,NS(=O)(=O)C1=CC2=C(CCNC2)C=C1,,Sotorasib,DB07754
2258,2258,2258,Not Available,[Zn+4].[H]\C(C)=C1\C(C)=C2[N-]\C\1=C([H])/C1=C(C)C(=C([H])C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]\C(=C/2\[H])C(C)=C1CCC(O)=O,,5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE,DB01188
2259,2259,2259,"Cyclandelate is a vasodilator used for the treatment of various blood vessel diseases, such as claudication and arteriosclerosis.",CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1,,3-Phenylpropylamine,DB06962
2260,2260,2260,Not Available,[H]N([C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@H]1O)C(C)=O,,Alfentanil,DB06153
2261,2261,2261,Not Available,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(O)=O,,"2'-Chloro-Biphenyl-2,3-Diol",DB15568
2262,2262,2262,Not Available,CC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(C=C2)C(F)(F)F)=N1,,WX-UK1,DB08643
2263,2263,2263,Not Available,CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O,,Nabumetone,DB03325
2264,2264,2264,Not Available,[H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,,Propentofylline,DB05451
2265,2265,2265,Not Available,CCCCCCCCCCCCC(O)=O,,RH-1,DB01755
2266,2266,2266,Not Available,CN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](N)[C@H]1O,,5-methyltetrahydrofolic acid,DB00376
2267,2267,2267,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCCCCC(=O)N([H])CCC4=CN([H])C5=CC=CC=C45)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Phosphorylated Dihydropteroate,DB01041
2268,2268,2268,Donepezil is an acetylcholinesterase inhibitor used to treat the behavioral and cognitive effects of Alzheimer's Disease and other types of dementia.,COC1=C(OC)C=C2C(=O)C(CC3CCN(CC4=CC=CC=C4)CC3)CC2=C1,,Decamethonium,DB08802
2269,2269,2269,Not Available,CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC(C)=CC(C)=C1,,Remifentanil,DB08566
2270,2270,2270,Sulfamoxole is an antibacterial in the sulfonamide class.,CC1=C(C)N=C(NS(=O)(=O)C2=CC=C(N)C=C2)O1,,N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE,DB07929
2271,2271,2271,Not Available,[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O,,Methionine Phosphinate,DB06510
2272,2272,2272,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=NN=C(C)O2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Glatiramer,DB01971
2273,2273,2273,Triamterene is a potassium-sparing diuretic used in the treatment of edema and in the management of hypertension.,NC1=NC(N)=C2N=C(C(N)=NC2=N1)C1=CC=CC=C1,,Cisatracurium,DB07068
2274,2274,2274,Not Available,O\N=C1/C(=O)N(CC2=CC(F)=CC3=C2OCOC3)C2=CC=CC(=C12)C1=CC=CC=C1,,Insulin lispro,DB05382
2275,2275,2275,"Fenebrutinib is under investigation in clinical trial NCT03174041 (A Drug-Drug Interaction Study Between GDC-0853 and Midazolam, Itraconazole, Rosuvastatin, and Simvastatin).",C[C@H]1CN(CCN1C1=CC=C(NC2=CC(=CN(C)C2=O)C2=C(CO)C(=NC=C2)N2CCN3C4=C(CC(C)(C)C4)C=C3C2=O)N=C1)C1COC1,,H TYPE II TRISACCHARIDE,DB07580
2276,2276,2276,Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer.,CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O,,Xaliproden,DB08403
2277,2277,2277,Not Available,CCCCC1=NC2=C(N1)C(=O)NNC2=O,,gamma-Hydroxybutyric acid,DB03475
2278,2278,2278,Not Available,CC1=NC=C(COP(O)(O)=O)C(CN[C@@H]2CONC2=O)=C1O,,3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID,DB00889
2279,2279,2279,Not Available,CCCCCCCCCCOC=O,,Ozenoxacin,DB08291
2280,2280,2280,Not Available,[H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2,,Trimipramine,DB02632
2281,2281,2281,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@@]1([H])O,,2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-YL]-oxalyl-amino}-benzoic acid,DB02214
2282,2282,2282,Not Available,[H]N([H])[C@@H](CCCN([H])C(=S)N([H])[H])C(O)=O,,3-Methylcytosine,DB02499
2283,2283,2283,Not Available,CC1=CC=CC(=C1)N1C=NC2=CC(N)=CC=C12,,2-Chlorophenol,DB06359
2284,2284,2284,Not Available,[H][C@]1(N)CC[C@@]([H])(CC1)NC1=NC2=C(C=NN2C(NC(C)C)=C1)C#N,,Pentazocine,DB09130
2285,2285,2285,Odanacatib is an inhibiter of cathepsin K which was originally developed be Merck & Co as a new treatment for osteoporosis 1. The drug made it to phase III trials before abandoned due to increased stroke.,CC(C)(F)C[C@H](N[C@@H](C1=CC=C(C=C1)C1=CC=C(C=C1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N,,Asparagine,DB09141
2286,2286,2286,Not Available,O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O,,"N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE",DB07761
2287,2287,2287,Not Available,CN1C=NC(N)=C2N=CN=C12,,N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine,DB01436
2288,2288,2288,Not Available,CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O,,Pterin-6-Yl-Methyl-Monophosphate,DB08352
2289,2289,2289,Not Available,[Cr+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,,Cellobiose,DB01090
2290,2290,2290,"Nicotinamide adenine dinucleotide phosphate. A coenzyme composed of ribosylnicotinamide 5'-phosphate (NMN) coupled by pyrophosphate linkage to the 5'-phosphate adenosine 2',5'-bisphosphate. It serves as an electron carrier in a number of reactions, being alternately oxidized (NADP+) and reduced (NADPH). (Dorland, 27th ed)",NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,,2-Dimethylamino-Ethyl-Diphosphate,DB08949
2291,2291,2291,Not Available,[H][C@]12CCN(C1=O)C1=CC=CC3=C1C=C(OC1([H])CC(CN4C=NC=C4CCN2)=CC[C@]1([H])C#N)C=C3,,Carbenicillin,DB11976
2292,2292,2292,Tiaprofenic acid is a nonsteroidal anti-inflammatory (NSAID) used to manage inflammation and analgesia associated with rheumatoid arthritis and osteoarthritis.,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1,,Mefloquine,DB04842
2293,2293,2293,Not Available,[H][C@]1(O)CO[C@@](C)(O)C1(O)O,,"2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one",DB09292
2294,2294,2294,Not Available,CO[C@H]1CNCC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,,Orotic acid,DB03390
2295,2295,2295,"Deramciclane (EGIS-3886) is used for the treatment of a number of anxiety disorders. Deramciclane differs from other anti anxiety medications in that it is not a benzodiazepine and so has a different structure and target. It antagonizes 5-HT2A receptors, agonizes 5-HT2C receptors, and functions as a GABA reuptake inhibitor.",[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCCN(C)C)C1=CC=CC=C1,,Emricasan,DB07027
2296,2296,2296,Not Available,CC[C@@H](C)C1=NC=CS1,,"2',4'-Dinitrophenyl-2deoxy-2-Fluro-B-D-Cellobioside",DB00618
2297,2297,2297,Darifenacin is an M3 muscarinic receptor blocker used to treat urinary incontinence.,NC(=O)C([C@@H]1CCN(CCC2=CC3=C(OCC3)C=C2)C1)(C1=CC=CC=C1)C1=CC=CC=C1,,Clorgiline,DB02437
2298,2298,2298,Not Available,N[C@@H](CCCC[B-](O)(O)O)C(O)=O,,Dimethyl sulfoxide,DB11606
2299,2299,2299,Not Available,OCC(=O)[C@@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O,,Cisplatin,DB07869
2300,2300,2300,Amyl Nitrite is a fast acting vasodilator used for rapid relief of angina pectoris.,CCCCCON=O,,[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron,DB03314
2301,2301,2301,Not Available,NC1(CC1)[P@](O)([O-])=O,,Dasiglucagon,DB07800
2302,2302,2302,Bempedoic acid is a drug used in conjunction with lifestyle modification and/or other agents for the treatment of refractory hypercholesterolemia.,CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O,,(S)-AMPA,DB11828
2303,2303,2303,Not Available,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2Cl)=NC2=C(N)N=CN=C12,,"4-{2,4-Bis[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid",DB03510
2304,2304,2304,Not Available,CCNC1=NC(SC)=NC(NC(C)(C)C)=N1,,Hydrogenobyrinic acid,DB02234
2305,2305,2305,Atracurium besylate is a non-depolarizing neuromuscular blocker used to facilitate endotracheal intubation and relax skeletal muscles during surgery.,[O-]S(=O)(=O)C1=CC=CC=C1.[O-]S(=O)(=O)C1=CC=CC=C1.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C=C1)[N+](C)(CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCC3=C(C=C(OC)C(OC)=C3)C1CC1=CC(OC)=C(OC)C=C1)CC2,,"4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DB07715
2306,2306,2306,Opicapone is a catechol-O-methyltransferase inhibitor used as an adjunct treatment for Parkinson's Disease in adults currently receiving levodopa and a dopa decarboxylase inhibitor.,CC1=C(C2=NOC(=N2)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C(Cl)=[N+]([O-])C(C)=C1Cl,,Spermidine,DB08457
2307,2307,2307,"Mefenamic acid is an NSAID used to treat mild to moderate pain for no more than a week, and primary dysmenorrhea.",CC1=C(C)C(NC2=CC=CC=C2C(O)=O)=CC=C1,,D-Alanine,DB16279
2308,2308,2308,Acebutolol is a selective β1-receptor antagonist used for the management of hypertension and ventricular premature beats in adults.,CCCC(=O)NC1=CC=C(OCC(O)CNC(C)C)C(=C1)C(C)=O,,D-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,DB08175
2309,2309,2309,"Sulfathiazole is a short-acting sulfa drug. It used to be a common oral and topical antimicrobial until less toxic alternatives were discovered. It is still occasionally used, sometimes in combination with sulfabenzamide and sulfacetamide.",NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,,N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE,DB07508
2310,2310,2310,"TB-402 is a human antibody binding to Factor VIII, which plays a crucial role in the coagulation of the blood. It is expected to be developed as a potential treatment to prevent blood clot formation in connection with certain types of heart arrhythmia, such as atrial fibrillation.",,,"N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3-[(2-thiophen-2-ylacetyl)amino]-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide",DB04829
2311,2311,2311,Not Available,COC1=C(OC)C(CN2CCC(CC2)NC(=O)CCCS)=CC(Br)=C1,,"3-(1H-indol-3-yl)-4-(1-{2-[(2S)-1-methylpyrrolidinyl]ethyl}-1H-indol-3-yl)-1H-pyrrole-2,5-dione",DB02800
2312,2312,2312,Tafluprost is an ophthalmic prostaglandin analog used to lower intraocular pressure in patients with ocular hypertension or open-angle glaucoma.,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\C(F)(F)COC1=CC=CC=C1,,FKB-001,DB08413
2313,2313,2313,"ADL5859 is a novel, oral compound that targets the Delta opioid receptor. Delta receptor agonists are thought to offer benefits over other approaches to the management of pain.",,,Deamido-Nad+,DB07129
2314,2314,2314,Not Available,NC1=NN=C2C(CCC3=CC=CC=C23)=C1,,Histidine,DB02824
2315,2315,2315,Not Available,O=C(N[C@H](CC1=CC=CC=C1)C(=O)C[N+]#N)OCC1=CC=CC=C1,,Fludiazepam,DB05676
2316,2316,2316,Galcanezumab is a calcitonin-gene related peptide antagonist used to prevent migraines and treat cluster headaches.,,QVQLVQSGAEVKKPGSSVKVSCKASGYTFGNYWMQWVRQAPGQGLEWMGAIYEGTGKTVYIQKFADRVTITADKSTSTAYMELSSLRSEDTAVYYCARLSDYVSGFGYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,Drotaverine,DB04786
2317,2317,2317,Not Available,CSC1=NN=C(N1)C1=CC=C(Cl)C=C1,,Rifaximin,DB06347
2318,2318,2318,Not Available,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)C1=C(C)N=C2C=CC=CN12,,Omapatrilat,DB04340
2319,2319,2319,Not Available,NC1=NC(N)=C2N=CN([C@H]3CO[C@@H](CO)O3)C2=N1,,Elotuzumab,DB08385
2320,2320,2320,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@]([H])(F)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C1=O,,RU79256,DB04837
2321,2321,2321,Not Available,NS(=O)(=O)C1=CC=C(S1)S(=O)(=O)NCC1=CC=CS1,,Drinabant,DB06641
2322,2322,2322,Thiethylperazine is a drug used for the treatment of nausea and vomiting.,CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,,Flumazenil,DB09334
2323,2323,2323,Not Available,[H][C@@]1(Cl)CN=C(NCCC2=NC=CC=C2)[C@]([H])(O)N1CC(=O)NCC1=CSC2=CC=C(Cl)C=C12,,"1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE",DB00736
2324,2324,2324,"A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311)",[NH3+][C@@H]1C[C@H]1C1=CC=CC=C1,,"18-CHLORO-11,12,13,14-TETRAHYDRO-1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-2-ONE",DB06451
2325,2325,2325,Not Available,CN1C=NN=C1SC1=CC=C(N)C(=C1)C(=O)NC1=NC(C)=CS1,,4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide,DB08213
2326,2326,2326,Not Available,O=C1\C(NC2=C1C=CC=C2)=C1/NC2=C(C=CC=C2)C1=O,,"3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL",DB08375
2327,2327,2327,"LJP 1082 is a Toleragen that is designed to shut down the B cells that produce antibodies to ß2 GP1. LJP 1082 is undergoing trial for for the treatment of stroke, deep-vein thrombosis and other conditions associated with antibody-mediated thrombosis. Antibody-mediated thrombosis, also called antiphospholipid syndrome (APS), is a blood clotting disorder. Patients with high levels of anticardiolipin antibodies (ACA) have an increased risk of stroke, heart attack, deep vein thrombosis, and recurrent fetal loss. The target of the LJP 1082's clot-promoting antibodies is a small region on a key blood protein called beta 2-glycoprotein I. To date, our scientists have shown that approximately 90% of patients studied with antibody-mediated thrombosis have antibodies that bind to this region.",NC(CCC(=O)NC(CSCO)C(=O)NCC(O)=O)C(O)=O,,"2-Phenethyl-2,3-Dihydro-Phthalazine-1,4-Dione",DB06789
2328,2328,2328,Not Available,[H][C@]1(O)[C@]([H])(O)[C@]([H])(CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,,"N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-oxiranyl]carbonyl}-L-threonyl-L-isoleucine",DB05115
2329,2329,2329,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(Br)C(=O)NC1=O,,7-methyl-GpppA,DB07088
2330,2330,2330,Not Available,[H][C@@](CC1=CC=CC=C1)(N(CC1=CC=C(S1)C1=CC2=CC=CC=C2O1)C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O,,Zinc,DB00074
2331,2331,2331,Not Available,[H][C@@](C[P@](O)(=O)[C@@]([H])(NS(=O)(=O)C1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,,1-Aminocyclopropylphosphonate,DB00241
2332,2332,2332,Not Available,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=CC=C(O)C=C12,,Bexarotene,DB01085
2333,2333,2333,Not Available,CC1=C(F)C=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC(C)=C(F)C=C2)=C1,,SR 121463,DB08899
2334,2334,2334,"CS-917 is a novel inhibitor of fructose 1,6-bisphphosphatase (FBPase) which is one of the rate-limiting enzymes of gluconeogenesis.",[H][C@@](C)(NP(=O)(N[C@@]([H])(C)C(=O)OCC)C1=CC=C(O1)C1=C(CC(C)C)SC(N)=N1)C(=O)OCC,,Stanolone acetate,DB02574
2335,2335,2335,Not Available,[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\C=C\C(O)(CC)CC,,Cirazoline,DB06873
2336,2336,2336,Not Available,COC1=CC(Br)=C(OC)C=C1CCN,,SO-101,DB13200
2337,2337,2337,Not Available,COC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,,Tranexamic acid,DB03277
2338,2338,2338,Docosanol is an antiviral used to treat orofacial herpes sores.,CCCCCCCCCCCCCCCCCCCCCCO,,Cabergoline,DB05149
2339,2339,2339,"Prenylamine was withdrawn from the Canadian, US, and UK markets in 1988 due to concerns regarding cardiac arrhythmias.",CC(CC1=CC=CC=C1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1,,(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE,DB07464
2340,2340,2340,Not Available,OCC1=CC=CC(F)=C1F,,"4-Methyl-1,2-Benzenediol",DB04551
2341,2341,2341,Tenofovir disoproxil is a nucleotide analog reverse transcriptase inhibitor used in the treatment of Hepatitis B infection and used in the management of HIV-1 infection.,[H][C@@](C)(CN1C=NC2=C(N)N=CN=C12)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C,,Echinacoside,DB04561
2342,2342,2342,Urea is a keratolytic emollient used to treat hyperkeratotic lesions and moisturize the skin.,NC(N)=O,,Fidaxomicin,DB00780
2343,2343,2343,Chromic chloride is a supplement to intravenous solutions given for total parenteral nutrition (TPN).,[Cl-].[Cl-].[Cl-].[Cr+3],,Aniline,DB01069
2344,2344,2344,Simeprevir is a direct-acting antiviral agent that inhibits HCV NS3/4A protease to treat chronic hepatitis C virus (HCV) infection in adults with HCV genotype 1 or 4.,[H][C@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)OC1=CC(=NC2=C1C=CC(OC)=C2C)C1=NC(=CS1)C(C)C)C(=O)NS(=O)(=O)C1CC1,,Lofexidine,DB07805
2345,2345,2345,Not Available,[H][C@]1(CO)O[C@]([H])(OC)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@]1([H])O,,"5,7-Dichlorokynurenic acid",DB13998
2346,2346,2346,Not Available,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])CCCS)N([H])[H],,"N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide",DB05938
2347,2347,2347,Not Available,CNS(=O)(=O)C1=CC=C(NC2=NC(=CC=N2)C2=CN=C(C)N2C2CC2)C=C1,,AT-7519,DB08144
2348,2348,2348,Darunavir is a HIV protease inhibitor used in the treatment of human immunodeficiency virus (HIV) infection in patients with history of prior antiretroviral therapies.,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1,,4-Deoxy-D-Mannuronic Acid,DB05455
2349,2349,2349,A vitamin-like antioxidant.,OC(=O)CCCC[C@@H]1CCSS1,,Alpha-Methylene Adenosine Monophosphate,DB01511
2350,2350,2350,Not Available,OC(=O)COC1=C(SC(=C1Br)C1=CC=C(O)C=C1)C(O)=O,,OSI-7904L,DB01652
2351,2351,2351,"Wortmannin is a steroid metabolite of Penicillium funiculosum and Talaromyces wortmannii fungi. This drug acts as a nonspecific, covalent inhibitor of phosphoinositide 3-kinase enzymes (PI3Ks).",[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)C2=C3C(=CO2)C(=O)O[C@H](COC)[C@]13C,,Chlorpropamide,DB01917
2352,2352,2352,Not Available,[H][C@]1(C)CN(CCCCCCCCNC=O)C[C@@]([H])(C)O1,,"(2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime}",DB05161
2353,2353,2353,Not Available,[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4[C@@H](O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,,R-9-(2-hydroxypropyl)adenine,DB02445
2354,2354,2354,Not Available,[H][C@]1(CC(=O)C2=C(O1)C=C(O)C=C2O)C1=CC=C(O)C=C1,,"(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL",DB01019
2355,2355,2355,"Venetoclax is a BCL-2 inhibitor used to treat chronic lymphocytic leukemia, small lymphocytic lymphoma, or acute myeloid leukemia.",CC1(C)CCC(CN2CCN(CC2)C2=CC=C(C(=O)NS(=O)(=O)C3=CC=C(NCC4CCOCC4)C(=C3)[N+]([O-])=O)C(OC3=CN=C4NC=CC4=C3)=C2)=C(C1)C1=CC=C(Cl)C=C1,,Glycochenodeoxycholic Acid,DB14033
2356,2356,2356,"Peptide YY (3-36), a synthetic human PYY 3-36, is a compound being evaluated for the treatment of obesity. It reduces appetite and increases satiety in obese patients.",,,12-Phenylheme,DB13956
2357,2357,2357,"Oxetacaine is an antacid used to treat gastritis, peptic ulcer disease, heartburn, esophagitis, hiatus hernia, and anorexia.",CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1=CC=CC=C1)C(C)(C)CC1=CC=CC=C1,,Hydroxyurea,DB01736
2358,2358,2358,"VX-702 is a small molecule investigational oral anti-cytokine therapy for treatment of inflammatory diseases, specifically rheumatoid arthritis (RA). It acts as a p38 MAP kinase inhibitor. In the future, VX-702 may be investigated for combination with methotrexate, a commonly used therapy for RA.",NC(=O)N(C1=CC=C(C(N)=O)C(=N1)C1=CC=C(F)C=C1F)C1=C(F)C=CC=C1F,,"diethyl [(1R)-1,5-diaminopentyl]boronate",DB01947
2359,2359,2359,"Obatoclax has been used in trials studying the treatment of AML, Leukemia, Myelofibrosis, Hodgkin's Lymphoma, and Mantle-Cell Lymphoma, among others.",COC1=CC(=N\C1=C/C1=C(C)C=C(C)N1)C1=CC2=CC=CC=C2N1,,"(2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE",DB03462
2360,2360,2360,Not Available,CC(C)N1CCC(CC1)NC(=O)C1=CC2=C(C=CC=C2)N1CC(=O)NC1=CC=C(Cl)C=C1,,1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA,DB06913
2361,2361,2361,Not Available,[H]N([H])C1=NC(=O)C2=CC=CC(C)=C2N1[H],,Ciglitazone,DB01780
2362,2362,2362,Satralizumab is a subcutaneously injected anti-IL-6 receptor monoclonal antibody for the treatment of neuromyelitis optica spectrum disorder (NMOSD).,,,Porfimer sodium,DB11193
2363,2363,2363,"Absence of molybdenum cofactor leads to accumulation of toxic levels of sulphite and neurological damage usually leading to death within months of birth, due to the lack of active sulfite oxidase.",O=[Mo++]=O.NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](COP([O-])([O-])=O)C([S-])=C3[S-])C(=O)N1,,Nilvadipine,DB03608
2364,2364,2364,Not Available,CO[C@H](C\C=C\N(C)C=O)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)\C=C\C=C(C)\C[C@H](CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](C[C@H](OC)\C=C\[C@H](C)[C@H](C[C@@H](OC)\C=C\[C@@H]1C)OC)OC)OC,,Lanoteplase,DB01225
2365,2365,2365,"Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.",O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,,C-(1-hydrogyl-beta-D-glucopyranosyl) formamide,DB06229
2366,2366,2366,Tocainide is an orally active class 1b antiarrhythmic agent that interferes with cardiac sodium channels and typically used to treat ventricular arrhythmias.,CC(N)C(=O)NC1=C(C)C=CC=C1C,,4-Hydroxyphenylpyruvic acid,DB03480
2367,2367,2367,Mimosine is an antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca.,N[C@@H](CN1C=CC(=O)C(O)=C1)C(O)=O,,UCB7362,DB04351
2368,2368,2368,"An N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others.",CN(C)CCC1=CNC2=CC=CC=C12,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID,DB01444
2369,2369,2369,Eravacycline is a tetracycline antibiotic used to treat complicated intra-abdominal infections.,[H][C@@]12CC3=C(F)C=C(NC(=O)CN4CCCC4)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,,"UNDECYLAMINE-N,N-DIMETHYL-N-OXIDE",DB01986
2370,2370,2370,Not Available,CCCC(=O)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1OC(=O)CCC,,RU84687,DB06820
2371,2371,2371,Not Available,CCCC[N+]#[C-],,N-Pyridoxyl-Glycine-5-Monophosphate,DB04246
2372,2372,2372,Not Available,O[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)[C@H]1O,,Ciprofibrate,DB07708
2373,2373,2373,Not Available,[H][C@@](CCCC)(NC(=O)O[C@]([H])(CC1=CC=CC=C1)C(C)C)C=O,,Osanetant,DB07459
2374,2374,2374,"Ospemifene is a non-hormonal estrogen receptor modulator (SERM) used to treat moderate to severe dyspareunia, a symptom of vulvar and vaginal atrophy, due to menopause.",OCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1,,"7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole",DB04311
2375,2375,2375,Not Available,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(O)=O,,Bepridil,DB02695
2376,2376,2376,Not Available,C[N+]1(C)CCC[C@H]1C([O-])=O,,"3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione",DB03866
2377,2377,2377,Not Available,OC1=CC=C(\C=N\OC(=O)C2CCCCC2)C=C1,,Quinolinic Acid,DB14065
2378,2378,2378,"Pentagastrin is a gastrin-like molecule used as a diagnostic aid for the evaluation of gastric acid secretory function, gastric hypersecretion, and Zollinger-Ellison tumors.",CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,,Cetuximab,DB02590
2379,2379,2379,Not Available,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@]([H])(C)[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O,,Sitagliptin,DB15699
2380,2380,2380,Not Available,[H][C@]12CC[C@](C)(CC1)C2(C)C,,"5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DB08096
2381,2381,2381,Not Available,[H]\C1=C([H])/[C@@]([H])(OC)[C@]([H])(CCCC[C@]([H])(OC(=O)[C@@]([H])(C)[C@@]2(O)O[C@]([H])([C@@]([H])(C)[C@]([H])(O)[C@@]2([H])OC)[C@@]1([H])C)C1=CC=CC=C1)OC,,Terconazole,DB07303
2382,2382,2382,Bevasiranib is a small interfering RNA (siRNA) targeting vascular endothelial growth factor A (VEGF-A).,,,Insulin tregopil,DB07491
2383,2383,2383,Not Available,[NH3+]C1CCCCC1,,"3-(5-amino-7-hydroxy-(1,2,3)triazolo(4,5-d)pyrimidin-2-yl)benzoic acid",DB02413
2384,2384,2384,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(OP(O)(=O)CP(O)(O)=O)O[C@]1([H])COP(O)(O)=O,,L-Myo-Inositol-1-Phosphate,DB00298
2385,2385,2385,"The 4-carboxyaldehyde form of vitamin B 6 which is converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. [PubChem]",CC1=NC=C(CO)C(C=O)=C1O,,"7,8-dihydro-7,7-dimethyl-6-hydroxypterin",DB07061
2386,2386,2386,"Propiomazine, an atypical antipsychotic agent, is used to treat both negative and positive symptoms of schizophrenia, acute mania with bipolar disorder, agitation, and psychotic symptoms in dementia. Future uses may include the treatment of obsessive-compulsive disorder and severe behavioral disorders in autism. Structurally and pharmacologically similar to clozapine, propiomazine binds to alpha(1), dopamine, histamine H1, muscarinic, and serotonin type 2 (5-HT2) receptors.",CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CC(C)N(C)C)C=C1,,Piboserod,DB01151
2387,2387,2387,Not Available,CC(=O)NC1=NC2=C(S1)C(=O)NCCC2,,Cobalt hexammine ion,DB06882
2388,2388,2388,Not Available,[H][C@]1(CCN2CC[C@@](N)(CC3=CC=CC=C3)C(=O)N12)C=O,,"Brodimoprim-4,6-Dicarboxylate",DB06782
2389,2389,2389,"As a diuretic, cyclothiazide inhibits active chloride reabsorption at the early distal tubule via the Na-Cl cotransporter, resulting in an increase in the excretion of sodium, chloride, and water. Thiazides like cyclothiazide also inhibit sodium ion transport across the renal tubular epithelium through binding to the thiazide sensitive sodium-chloride transporter. This results in an increase in potassium excretion via the sodium-potassium exchange mechanism. The antihypertensive mechanism of cyclothiazide is less well understood although it may be mediated through its action on carbonic anhydrases in the smooth muscle or through its action on the large-conductance calcium-activated potassium (KCa) channel, also found in the smooth muscle. Cyclothiazide is indicated as adjunctive therapy in edema associated with congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy. It is also indicated in the management of hypertension either as the sole therapeutic agent or to enhance the effectiveness of other antihypertensive drugs in the more severe forms of hypertension.",NS(=O)(=O)C1=C(Cl)C=C2NC(NS(=O)(=O)C2=C1)C1CC2CC1C=C2,,Gantacurium,DB02890
2390,2390,2390,Cilazapril is an ACE inhibitor used for the management of hypertension and heart failure.,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,,Uridylyl-2'-5'-phospho-guanosine,DB03340
2391,2391,2391,"AZD-8330 is a potent, selective, orally active MEK inhibitor that blocks signal transduction pathways implicated in cancer cell proliferation and survival. AZD-8330 has shown tumor suppressive activity in multiple preclinical models of human cancer including melanoma, pancreatic, colon, lung, and breast cancers.",CN1C(=O)C(C)=CC(C(=O)NOCCO)=C1NC1=CC=C(I)C=C1F,,"S,S-(2-Hydroxyethyl)Thiocysteine",DB11071
2392,2392,2392,Cefapirin is a first generation cephalosporin indicated in the treatment of susceptible bacterial infections.,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CSC1=CC=NC=C1)C(O)=O,,Dilmapimod,DB07204
2393,2393,2393,Remdesivir is a nucleoside analog used to treat RNA virus infections including COVID-19.,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)C1=CC=C2N1N=CN=C2N)OC1=CC=CC=C1,,2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID,DB00543
2394,2394,2394,Not Available,[H]N([C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](OC4=CC5=C(C=C4)C(C)=CC(=O)O5)[C@H](N([H])C(C)=O)[C@H]3O)[C@H](N([H])C(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(C)=O,,"Tetanus immune globulin, humanCommonly known or available as Tetanus immune globulin",DB00229
2395,2395,2395,Hydrocortisone acetate is a corticosteroid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses and ulcerative colitis.,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,XV638,DB17851
2396,2396,2396,"PD-0325901 has been used in trials studying the treatment and basic science of Melanoma, Solid Tumour, Solid Tumors, Advanced Cancer, and Breast Neoplasms, among others.",[H][C@@](O)(CO)CONC(=O)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,,"(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid",DB12500
2397,2397,2397,Not Available,CC(C)N(C(=O)C1=CC=C(C)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,,Tryptophan,DB03483
2398,2398,2398,Metyrapone is a steroid 11-beta-monooxygenase inhibitor used to test hypothalamic-pituitary ACTH function.,CC(C)(C(=O)C1=CN=CC=C1)C1=CC=CN=C1,,6((S)-3-Benzylpiperazin-1-Yl)-3-(Naphthalen-2-Yl)-4-(Pyridin-4-Yl)Pyrazine,DB01676
2399,2399,2399,Not Available,OP(O)(=O)OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1,,"3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID",DB01295
2400,2400,2400,Vintafolide is a folate-targeted chemotherapeutic conjugate (folate vitamin + vinca alkaloid) in clinical stage development as a treatment for folate-receptor positive cancers.,[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=CNC3=NC(N)=NC(=O)C3=N2)C=C1)C(O)=O)C(O)=O)[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,,Carbenoxolone,DB07391
2401,2401,2401,Norfloxacin is a broad-spectrum fluoroquinolone antibiotic with variable activity against gram-positive and gram-negative bacteria. Typically reserved for the treatment of UTIs due to accumulation in the urine.,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,,Aceclofenac,DB08447
2402,2402,2402,"Tocilizumab is an interleukin-6 (IL-6) receptor antagonist used to treat Cytokine Release Syndrome (CRS), Systemic Juvenile Idiopathic Arthritis (sJIA), Giant Cell Arteritis (GCA), and Rheumatoid Arthritis (RA).",,DIQMTQSPSSLSASVGDRVTITCRASQDISSYLNWYQQKPGKAPKLLIYYTSRLHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQGNTLPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,"Heptane-1,2,3-Triol",DB01856
2403,2403,2403,Abemaciclib is a medication used to treat HR+ HER2- advanced or metastatic breast cancer.,CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1,,"1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct",DB16862
2404,2404,2404,Not Available,[H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCCCC,,Polatuzumab vedotin,DB06409
2405,2405,2405,"Vicriviroc, also known as SCH 417690 and SCH-D, is currently in clinical trials for the management of HIV-1. This pyrimidine based drug inhibits the interaction of HIV-1 with CCR5, preventing viral entry into cells. This drug was developed by Schering-Plough.",COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F,,MB-07803,DB00551
2406,2406,2406,Desoximetasone is a glucocorticoid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses.,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Deslanoside,DB07474
2407,2407,2407,Not Available,CCCC1=C(SC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,,BMS-754807,DB08642
2408,2408,2408,Not Available,NCCCCCCCNC(N)N,,RU78191,DB04477
2409,2409,2409,Not Available,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CC(N)=CC=C1,,Imino-Tryptophan,DB00828
2410,2410,2410,Not Available,CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,"(3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine",DB00066
2411,2411,2411,Not Available,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)N=C3N)C=C1,,Lactose,DB12107
2412,2412,2412,Not Available,[H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O,,3-Deazacytidine,DB07711
2413,2413,2413,"Arbaclofen Placerbil is a prodrug of Arbaclofen, which is a selective gamma-amino-butyric acid type B receptor agonist and the R-enantiomer of baclofen. It was discovered, and has been patented by XenoPort as a new chemical entity with an improved pharmacokinetic profile compared to baclofen, which allows for sustained release properties.",CC(C)[C@H](OC(=O)NC[C@H](CC(O)=O)C1=CC=C(Cl)C=C1)OC(=O)C(C)C,,Budesonide,DB08312
2414,2414,2414,Not Available,COC1=NN=C(C=C1)N1CCN(CC1)C1=CC(C)=CC=C1,,KAI-1455,DB13873
2415,2415,2415,CMLVAX100 is a vaccine targeting the BCR-ABL-derived p210 fusion protein which reduces residual disease in some patients with chronic myeloid leukemia. It is developed by Breakthrough Therapeutics and has completed phase I of its clinical trial.,,,(3r)-1-Acetyl-3-Methylpiperidine,DB05033
2416,2416,2416,Not Available,[H][C@](N)(CC1=CC=CC=C1)C(=O)NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,,Cyclandelate,DB05137
2417,2417,2417,"Fosinopril is an ACE inhibitor used to treat mild to moderate hypertension, congestive heart failure, and to slow the progression of renal disease in hypertensive diabetics.",CCC(=O)O[C@@H](OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C,,O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE,DB07789
2418,2418,2418,Metergoline is an ergot-derivative that acts as an antagonist at certain 5-HT receptor subtypes and as an agonist at dopamine receptors. It is often used in situations where inhibition of prolactin is desirable.,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@@]1([H])C[C@@H](CNC(=O)OCC1=CC=CC=C1)CN2C,,"4,4'-Dihydroxybenzophenone",DB08114
2419,2419,2419,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=CC(=O)NC2=O)[C@H]1O,,"4,6-dideoxy-4-amino-beta-D-glucopyranoside",DB00723
2420,2420,2420,"XL765 is an orally available small molecule that has been shown in preclinical studies to selectively inhibit the activity of phosphoinositide-3 kinase (PI3K) and mammalian target of rapamycin (mTOR). It is being developed by Exelixis, Inc.",,,Minocycline,DB03335
2421,2421,2421,"LX1031 is an orally-dosed drug candidate for irritable bowel syndrome and other gastrointestinal disorders. LX1031 was generated by Lexicon medicinal chemists, and its target was internally identified as a key control point for the regulation of peripheral serotonin levels. LX1031 is designed to act locally in the gastrointestinal tract by reducing the serotonin available for receptor activation, without affecting serotonin levels in the brain or its central nervous system functions.",,,Oxidized Acetyl Dithranol,DB07331
2422,2422,2422,Remifentanil is an opioid analgesic used in anesthesia.,CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC,,Oseltamivir acid,DB06872
2423,2423,2423,Not Available,OC1=CC2=C(C=C1)C(=NO2)C1=C(O)C=C(O)C=C1,,GW-590735,DB00117
2424,2424,2424,Not Available,CC1=C(CC(CO)CO)NC(=O)NC1=O,,Zuclopenthixol,DB08613
2425,2425,2425,"Dovitinib is an orally active small molecule that exhibits potent inhibitory activity against multiple RTKs involved in tumor growth and angiogenesis. Preclinical data show that dovitinib works to inhibit multiple kinases associated with different cancers, including acute myeloid leukemia (AML) and multiple myeloma. Chiron currently has three ongoing Phase I clinical trials for dovitinib.",CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=C(N)C2=C(NC1=O)C=CC=C2F,,Elranatamab,DB02948
2426,2426,2426,Motixafortide is a peptide inhibitor of CXCR4 used to mobilize hematopoietic stem cells prior to collection and autologous transplantation in multiple myeloma patients.,,RRXCYXKKPYRXCR,4-(Acetylamino)-3-[(Hydroxyacetyl)Amino]Benzoic Acid,DB04682
2427,2427,2427,Fremanezumab is a humanized monoclonal antibody directed against human calcitonin-gene related peptide to prevent migraines.,,EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWISWVRQAPGKGLEWVAEIRSESDASATHYAEAVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCLAYFDYGLAIQNYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPSSIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE",DB11130
2428,2428,2428,Not Available,[H]N([H])CC(=O)N([H])[C@@H](CCCCC(=O)N([H])[C@H](C)C(=O)N([H])[C@H](C)C(O)=O)C(O)=O,,Benzoic acid,DB02430
2429,2429,2429,"Demecarium is an indirect-acting parasympathomimetic agent that is used to treat glaucoma. It is a cholinesterase inhibitor or an anticholinesterase. Cholinesterase inhibitors prolong the effect of acetylcholine, which is released at the neuroeffector junction of parasympathetic postganglion nerves, by inactivating the cholinesterases that break it down. Demecarium inactivates both pseudocholinesterase and acetylcholinesterase. In the eye, this causes constriction of the iris sphincter muscle (causing miosis) and the ciliary muscle. The outflow of the aqueous humor is facilitated, which leads to a reduction in intraocular pressure.",CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,,Filaminast,DB01806
2430,2430,2430,Not Available,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(=CC(=C1[O-])C1=C(F)C=CC=C1)[C@@H](CC([O-])=O)C([O-])=O,,3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE,DB09043
2431,2431,2431,Enzacamene is an ingredient used in sunscreen to block UVB radiation.,CC1=CC=C(\C=C2/C3CCC(C)(C2=O)C3(C)C)C=C1,,"2,6-Diamino-Hexanoic Acid Amide",DB00440
2432,2432,2432,Not Available,[H]N([H])CCCC(=O)N([H])[C@@H](CSCC1=CC=C(OC)C=C1)C(=O)N([H])CC(O)=O,,PRX-08066,DB09202
2433,2433,2433,"Fentanyl is an opioid analgesic used in anesthesia, for breakthrough cancer pain, or round the clock pain management.",CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,,Beclomethasone dipropionate,DB01989
2434,2434,2434,"Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. [PubChem]",[H][C@]1(COP(O)(=O)OP(O)(=O)C[As](O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Avasimibe,DB07220
2435,2435,2435,Tegaserod is a serotonin-4 (5-HT4) receptor agonist indicated for the treatment of constipation predominant irritable bowel syndrome (IBS-C) specifically in women under the age of 65. There is currently no safety or efficacy data for use of tegaserol in men.,CCCCCNC(=N)N\N=C\C1=CNC2=C1C=C(OC)C=C2,,MK-5108,DB08029
2436,2436,2436,Not Available,OC(=O)C1=CC(O)=C2C(Cl)=CC(Cl)=CC2=N1,,S-2-(Boronoethyl)-L-Cysteine,DB01320
2437,2437,2437,Not Available,[Fe+4].[H]\C(=N/C1=C(C=C(CCC(O)=O)C=C1)/N=C(\[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],,"(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one",DB06969
2438,2438,2438,Insulin degludec is a long acting insulin used to treat hyperglycemia caused by type 1 and 2 diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,[3-(Dodecanoylamino)Propyl](Hydroxy)Dimethylammonium,DB08907
2439,2439,2439,Not Available,[H][C@@](N)(CCCCO)C(O)=O,,TD-2749,DB07182
2440,2440,2440,Not Available,[H]\C(=C(/F)C(O)=O)C1=CC=C([O-])C=C1,,LY249543,DB02636
2441,2441,2441,Carbidopa is a dopa decarboxylase inhibitor used in combination with levodopa for the symptomatic treatment of idiopathic Parkinson disease and other conditions associated with parkinsonian symptoms.,C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(O)=O,,Infliximab,DB07908
2442,2442,2442,Not Available,CC1=CN([C@H]2CC[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,,SPP 301,DB02819
2443,2443,2443,Ocrelizumab is a CD20 specific monoclonal antibody used to treat relapsing remitting multiple sclerosis.,,RASSSVSYMH,N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE,DB02339
2444,2444,2444,Not Available,OC1=CC=C(C=C1)C(=O)C1=CC=C(O)C=C1,,gamma-Butyrolactone,DB04800
2445,2445,2445,Not Available,[H]N([H])[C@@H](CO)C(=O)N([H])[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,"N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE",DB08677
2446,2446,2446,"OSI-930 is an orally active inhibitor of two clinically validated targets: c-Kit and the vascular endothelial growth factor receptor-2 (VEGFR-2). OSI-930 is designed to target both cancer cell proliferation and blood vessel growth (angiogenesis) in selected tumors. In preclinical studies, OSI-930 shows broad efficacy in tumor models representative of small cell lung cancer, glioblastoma, colorectal, renal, head and neck, non-small cell lung cancer and gastric cancers.",FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1,,Ouabain,DB01270
2447,2447,2447,Misoprostol is a prostaglandin E1 analogue used to reduce the risk of NSAID-induced gastric ulcers and to terminate pregnancies.,CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,,Amodiaquine,DB13133
2448,2448,2448,Not Available,[H][C@@]1(C)CCC2=CC(C[C@@](C)(N)C(=O)OCC3=CC(CC1)=NC(=C3)N(C)S(C)(=O)=O)=CC=C2,,Tixocortol,DB04941
2449,2449,2449,"An opioid antagonist with properties similar to those of naloxone; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683)",[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2,,"4-{2,6,8-Trioxo-9-[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]-1,2,3,6,8,9-Hexahydro-7h-Purin-7-Yl}Butyl Dihydrogen Phosphate",DB03178
2450,2450,2450,Not Available,[H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1,,"(5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE",DB06468
2451,2451,2451,Not Available,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCCC(=O)N(C)CCCC)[C@@]21[H],,ICI-164384,DB04416
2452,2452,2452,Arimoclomol is a heat-shock protein co-inducer used to treat neurological symptoms of Niemann-Pick disease type C in combination with miglustat.,O[C@@H](CON=C(Cl)C1=C[N+]([O-])=CC=C1)CN1CCCCC1,,Dansylamide,DB08053
2453,2453,2453,Not Available,NS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,,"5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE",DB08916
2454,2454,2454,"Formebolone, a derivative of androstane, is an anabolic androgenic steroid. It is on the list of substances prohibited by the Word Anti-Doping Agency, and is regularly screened for in athletes.1 It is also classified by the US Drug Enforcement Administration as Schedule III drug in the Controlled Substances Act. It has been used experimentally in the treatment of growth retardation, and has been noted to increase bone mass.1 Additionally, it has been patented for use in development of novel transdermal delivery systems for enhanced drug delivery.",[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C(C=O)=C[C@]12C,,(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid,DB03679
2455,2455,2455,Not Available,COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1,,3-(Prop-2-Ene-1-Sulfinyl)-Propene-1-Thiol,DB04516
2456,2456,2456,Not Available,[H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H],,Beta-Hydroxyaspartic Acid,DB15043
2457,2457,2457,Not Available,OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1,,Diflorasone,DB13643
2458,2458,2458,Not Available,OC[C@H]1O[C@]2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,,Hymenialdisine,DB16226
2459,2459,2459,Not Available,O=C1NCCC2=C1C=C(N2)C1=CC(=NC=C1)C1=CC2=C(C=CC=C2)N=C1,,Bropirimine,DB16652
2460,2460,2460,Not Available,C[C@@H](NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H]2OC[C@@H](O2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O)C(O)=O,,"5,6-dihydroxy-NADP",DB03912
2461,2461,2461,Not Available,[H][C@](C)(NC(=O)C1=CC=CC=C1)C(O)=O,,Nalbuphine,DB04687
2462,2462,2462,Not Available,[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@@]([H])(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]2([H])OCCCCCCCC)O[C@@]([H])(C)[C@@]1([H])O,,4-[[(2S)-1-[[6-[(1-Amino-1-oxo-3-sulfanylpropan-2-yl)amino]-6-oxohexyl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[difluoro(phosphono)methyl]phenyl]acetyl]amino]-4-oxobutanoic acid,DB03887
2463,2463,2463,"Prexasertib has been used in trials studying the treatment and basic science of mCRPC, Leukemia, Neoplasm, breast cancer, and Ovarian Cancer, among others.",COC1=CC=CC(OCCCN)=C1C1=CC(NC2=CN=C(C=N2)C#N)=NN1,,Sphinxolide B,DB04029
2464,2464,2464,Not Available,CN1SC(=O)C2=CC(=CC=C12)S(N)(=O)=O,,"9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE",DB03921
2465,2465,2465,Proflavine is a topical antiseptic agent used in wound dressings to prevent infections.,NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1,,Avapritinib,DB00499
2466,2466,2466,"Daglutril is an orally active, mixed neutral endopeptidase/endothelin converting enzyme inhibitor under development for the treatment of essential hypertension and congestive heart failure.",CCOC(=O)[C@H](CCC1=CC=CC=C1)CC1(CCCC1)C(=O)N[C@H]1CCC2=CC=CC=C2N(CC(O)=O)C1=O,,4-(2-Thienyl)Butyric Acid,DB07070
2467,2467,2467,Not Available,FC1=CC2=C(NC(=C2)C(=O)NCCS)C=C1,,(2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID,DB01472
2468,2468,2468,Not Available,NCCC1=CNC2=CC=CC=C12,,Aminomethylcyclohexane,DB02736
2469,2469,2469,"An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems.",CNC(C)CC1=CC2=C(OCO2)C=C1,,Equine Botulinum Neurotoxin D Immune FAB2,DB01022
2470,2470,2470,Abiraterone is an antiandrogen used in the treatment of metastatic castration-resistant prostate cancer and metastatic high-risk castration-sensitive prostate cancer.,[H][C@@]12CC=C(C3=CC=CN=C3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C,,Carvedilol,DB07971
2471,2471,2471,Volanesorsen is an antisense oligonucleotide indicated to treat familial chylomicronemia.,,,"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala",DB03179
2472,2472,2472,"CZEN-002 is a novel, non-azole anti-fungal synthetic octapeptide, derived from alpha-Melanocyte-Stimulating Hormone (a-MSH). CZEN-002 modulates inflammatory and immune responses. It has also been shown to kill Candida albicans (C. albicans), a single-celled fungal organism that causes a variety of infections, including vaginitis. This organism can invade tissues and produce fatal infections in individuals with compromised immune systems such as those suffering from HIV/AIDS or undergoing organ or bone transplants. The antimicrobial activity of CZEN-002 is unique in that it does not depend on direct damage to the microbial membrane. It appears that CZEN-002 works on a receptor in yeast that has yet to be identified.",CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC(CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,,Vitamin D,DB03643
2473,2473,2473,"Farletuzumab (MORAb-003) is a fully humanized monoclonal antibody against the folate receptor alpha, for the potential treatment of epithelial ovarian cancer.",,EVQLVESGGGVVQPGRSLRLSCSASGFTFSGYGLSWVRQAPGKGLEWVAMISSGGSYTYYADSVKGRFAISRDNAKNTLFLQMDSLRPEDTGVYFCARHGDDPAWFAYWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"4-CHLORO-3',3''-DIBROMOPHENOL-1,8-NAPHTHALEIN",DB00666
2474,2474,2474,Not Available,OC(=O)C1=CC=C(C=C1)C1=CC=C(F)C=C1,,Mitotane,DB06999
2475,2475,2475,Not Available,COC1=CC=C(C=C1)\N=C1\NC(N)=C(S1)C(=O)C1=CC=C(OC)C=C1,,Carbon monoxide,DB12611
2476,2476,2476,Not Available,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN(C1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N,,(1S)-menthyl hexyl phosphonate group,DB07317
2477,2477,2477,"Asciminib is an inhibitor of ABL/BCR-ABL1 tyrosine kinase for the treatment of patients with Philadelphia chromosome-positive CML, including those with the T315I mutation.",O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1,,4-Phenylbutylamine,DB07054
2478,2478,2478,Not Available,OC(=O)C1=C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C=CC(OC2=NC=CC=N2)=C1,,Tributyltin,DB00307
2479,2479,2479,Not Available,CCNC,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide,DB00509
2480,2480,2480,Not Available,N[C@@H](CN1C=C(Br)C(=O)NC1=O)C(O)=O,,N-Acetyl-L-Glutamate,DB17635
2481,2481,2481,Not Available,OC(=O)C(C(O)=O)C1=CC=CC=C1,,"METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE",DB02912
2482,2482,2482,"β-Naphthoflavone, also known as 5,6-benzoflavone, is a potent agonist of the aryl hydrocarbon receptor and induces cytochromes P450 (CYPs) and uridine 5'-diphospho-glucuronosyltransferases (UGTs). It may be a chemopreventive agent.",O=C1C=C(OC2=C1C1=CC=CC=C1C=C2)C1=CC=CC=C1,,Human C1-esterase inhibitor,DB01073
2483,2483,2483,Pomalidomide is a thalidomide analogue used in combination with dexamethasone to treat patients with multiple myeloma.,NC1=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=CC=C1,,Zimelidine,DB04255
2484,2484,2484,"Metoclopramide is an antiemetic agent and dopamine D2 antagonist used in the treatment of gastroesophageal reflux disease, prevention of nausea and vomiting, and to stimulate gastric emptying.",CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC,,"3,3-Dichloro-2-Phosphonomethyl-Acrylic Acid",DB03847
2485,2485,2485,Not Available,ON1C2=CC=CN=C2C(=C1C1=CC=NC=C1)C1=CC=C(F)C=C1,,Metixene,DB02266
2486,2486,2486,Not Available,[H][C@@]1(COC2=NS(=O)(=O)C3=C2C=CC=C3)OCCC2=C1SC(NC(=O)C(O)=O)=C2C(O)=O,,(1R)-menthyl hexyl phosphonate group,DB02458
2487,2487,2487,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,,Andrographolide,DB07031
2488,2488,2488,Not Available,CC1=C(SC(N)=N1)C1=NC(NC2=CC=CC(=C2)[N+]([O-])=O)=NC=C1,,"Trencam-3,2-Hopo",DB08561
2489,2489,2489,Sodium ferric gluconate complex is an iron complex used for the treatment of iron deficiency anemia in adult patients and in pediatric patients age 6 years and older with chronic kidney disease receiving hemodialysis who are receiving supplemental epoetin therapy.,[O--].[O--].[O--].[Na+].[Fe+3].[Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,,N-Allyl-6-{[3-(4-bromophenyl)-1-methyl-1H-indazol-6-yl]oxy}-N-methyl-1-hexanamine,DB06902
2490,2490,2490,Not Available,OC(=O)C1=NC2=C(C=CC=C2)C=C1,,Ragaglitazar,DB05509
2491,2491,2491,Not Available,NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1,,Glucosamine,DB00700
2492,2492,2492,Not Available,[H][C@@](NC(=O)CC1=CC=CC=C1)(C(=O)NCC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1,,Nitroprusside,DB04499
2493,2493,2493,Not Available,CO\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1,,Temsirolimus,DB07261
2494,2494,2494,Not Available,S\C=C\C[S@](=O)CC=C,,Pantothenyl-Aminoethanol-Acetate Pivalic Acid,DB04645
2495,2495,2495,Metreleptin is a leptin analogue used as an adjunct to diet as replacement therapy to treat the complications of leptin deficiency in patients various forms of lipodystrophy.,,MVPIQKVQDDTKTLIKTIVTRINDISHTQSVSSKQKVTGLDFIPGLHPILTLSKMDQTLAVYQQILTSMPSRNVIQISNDLENLRDLLHVLAFSKSCHLPWASGLETLDSLGGVLEASGYSTEVVALSRLQGSLQDMLWQLDLSPGC,Pyridoxyl-Glutamic Acid-5'-Monophosphate,DB03728
2496,2496,2496,Not Available,N1C=CC=N1,,Selisistat,DB04067
2497,2497,2497,Not Available,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC,,N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE,DB08153
2498,2498,2498,Inclisiran is a PCSK9-targeting short interfering RNA (siRNA) that lowers plasma LDL-cholesterol levels.,,,Otlertuzumab,DB00787
2499,2499,2499,"Orciprenaline is a beta-2 adrenergic agonist used to treat bronchospasm, asthma, and COPD.",CC(C)NCC(O)C1=CC(O)=CC(O)=C1,,PNU-142721,DB01598
2500,2500,2500,"Temocapril is a prodrug-type angiotensin-I converting enzyme (ACE) inhibitor not approved for use in the United States, but is approved in Japan and South Korea. Temocapril can also be used in hemodialysis patients without risk of serious accumulation.",CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1,,Inhibitor BEA409,DB00425
2501,2501,2501,Not Available,CC(=O)N[C@@H](CO)C(O)=O,,"7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-F]QUINAZOLINE-1,3-DIAMINE",DB06781
2502,2502,2502,Vatalanib (PTK787/ZK-222584) is a new oral antiangiogenic molecule that inhibits all known vascular endothelial growth factor receptors. Vatalanib is under investigation for the treatment of solid tumors.,ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1,,Adenosine monotungstate,DB01273
2503,2503,2503,"Nisoxetine is a selective norepinephrine reuptake inhibitor (SNRI) developed in the 1970s. It was originally investigated as an antidepressant but has no current clinical applications aside from being a research standard SNRI. It has been used to research obesity and energy balance, and exerts some local analgesia effects.",CNCCC(OC1=CC=CC=C1OC)C1=CC=CC=C1,,3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid,DB02903
2504,2504,2504,Gonadorelin is a synthetic GnRH used to test the function of gonadotropes and the pituitary.,,,2-(4-CARCOXY-5-ISOPROPYLTHIAZOLYL)BENZOPIPERIDINE,DB12445
2505,2505,2505,Not Available,O=C[C@@]([H])(C(C)C)[C@]1([H])N(CC[C@@]1([H])NS(=O)(=O)C)C(=O)\C=C\CN1CCCCC1,,R450,DB07591
2506,2506,2506,Insulin pork is a purified form of porcine insulin used to control hyperglycemia in diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,Cytidine-5'-Monophosphate-5-N-Acetylneuraminic Acid,DB04335
2507,2507,2507,Not Available,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Br)C=C2)C(O)=C1Br,,LLL-3348,DB04109
2508,2508,2508,Not Available,N[C@@H](CCC=O)C(O)=O,,Hexamethonium,DB06447
2509,2509,2509,Not Available,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)C1CCNC(=N)N1)C(=O)N[C@@H](CC1=CC=CC=C1)C=O,,Vestipitant,DB01029
2510,2510,2510,Not Available,ON(CCP(O)(O)=O)C=O,,Clocortolone,DB00882
2511,2511,2511,Not Available,[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(C)CS1,,Acetamide,DB12483
2512,2512,2512,Not Available,COC1=CC(CC2=CN=C(N)N=C2N)=C2C=CC(OC2=C1OC)C1CC1,,Cefroxadine,DB15001
2513,2513,2513,Not Available,COC1=CC(=CC=C1OC(F)F)C1=NNC(=O)C=C1,,Bleomycin,DB07889
2514,2514,2514,Not Available,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)CO)C(=O)N1,,Piperine,DB16405
2515,2515,2515,"Ularitide is a synthetic form of urodilatin, a naturally occurring human natriuretic peptide that is involved in regulating blood pressure and the excretion of water and sodium from the kidneys. Urodilatin is produced in the kidney and excreted into the urine, and thus exists in low levels naturally in the systemic blood circulation. When injected into the blood, ularitide appears to cause diuresis (urine output) and natriuresis (sodium excretion), as well as vasodilation.
Ularitide is currently in Phase 2 development as a potential treatment for patients with acute decompensated heart failure (ADHF).",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O,,"N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide",DB00001
2516,2516,2516,Not Available,OC(=O)C1=C(C2=CNC3=CC=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C1C=CC=C2,,"3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE",DB08028
2517,2517,2517,Not Available,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,,Artesunate,DB02979
2518,2518,2518,Not Available,COC1=CC=C(C=C1)C1=C(OC2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2,,Naltrexone,DB00373
2519,2519,2519,An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity.,OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O,,Pomalidomide,DB07975
2520,2520,2520,Not Available,CN(C)C1=C2C=CC=C(C2=CC=C1)S(O)(=O)=O,,5'-O-(L-Cysteinylsulfamoyl)adenosine,DB08257
2521,2521,2521,Axicabtagene ciloleucel is a CAR T-cell therapy used to treat adults with large B-cell lymphomas and follicular lymphoma.,,,Ibandronate,DB02047
2522,2522,2522,Not Available,CC1=NC(=CC=C1)C1=NN2CCCC2=C1C1=CC=C(F)C=C1,,(2S)-N-[(3E)-5-Cyclopropyl-3H-pyrazol-3-ylidene]-2-[4-(2-oxo-1-imidazolidinyl)phenyl]propanamide,DB04651
2523,2523,2523,Not Available,[H][C@@]1(O)C[C@@](O)(C=C[C@@]1([H])O)C(O)=O,,Nordazepam,DB04207
2524,2524,2524,"Glycopyrronium is an anticholinergic agent used to treat hyperhidrosis, severe drooling, COPD, used with other medications to treat ulcers, and used in anesthesia.",C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1,,"6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",DB11928
2525,2525,2525,Not Available,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C,,"5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE",DB08263
2526,2526,2526,Not Available,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(Cl)C=C2)C=C1,,Acetohexamide,DB04149
2527,2527,2527,Not Available,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN2C=CN=C32)[C@@H](O)[C@H]1O,,Mitoxantrone,DB06635
2528,2528,2528,"Cefoxitin is a semi-synthetic, broad-spectrum antibiotic for parenteral administration used for the treatment of serious bacterial infections, such as urinary tract infection, blood infection, bone and joint infection, and lower respiratory tract infection.",[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O,,ZK-806711,DB02677
2529,2529,2529,Not Available,Cl.Cl.CC1=NC=CN1CC1=CC(=CN=N1)C1=CC=C(F)C(=C1)C(F)F,,Methylumbelliferyl sialic acid,DB02688
2530,2530,2530,Not Available,,,Grn163l,DB02985
2531,2531,2531,Not Available,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC=C)C1=O,,"(9S)-9-[(8-AMMONIOOCTYL)AMINO]-1,2,3,4,9,10-HEXAHYDROACRIDINIUM",DB06786
2532,2532,2532,Not Available,CCOC1=CC(=CC=C1)C1=CC=C(NC(=O)C(\C#N)=C(\C)O)C=C1,,2-[2-ETHANESULFONYLAMINO-3-(5-PROPOXY-1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE),DB08386
2533,2533,2533,Azlocillin is a semisynthetic ampicillin-derived acylureido penicillin.,[H][C@](NC(=O)N1CCNC1=O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])C1=CC=CC=C1,,Mito-4509,DB02974
2534,2534,2534,Not Available,CC(C)N1C(C)=NC=C1C1=NC(NC2=CC=C(C=C2)N2CCN(CC2)C(=O)CO)=NC=C1,,"(3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER",DB07684
2535,2535,2535,Not Available,[H]C(=O)NC1CCCCC1,,AL5927,DB04068
2536,2536,2536,Brigatinib is an anaplastic lymphoma kinase inhibitor used to treat anaplastic lymphoma kinase positive metastatic non small cell lung cancer.,COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1,,Defibrotide,DB13837
2537,2537,2537,"A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to ketamine in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (receptors, N-methyl-D-aspartate). As a drug of abuse, it is known as PCP and Angel Dust.",C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1,,N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,DB03368
2538,2538,2538,Alglucosidase alfa is an acid alpha- glucosidase (GAA) derivative used as an enzyme replacement therapy for the treatment of Pompe disease in infants and pediatric patients caused by GAA deficiency.,,AHPGRPRAVPTQCDVPPNSRFDCAPDKAITQEQCEARGCCYIPAKQGLQGAQMGQPWCFFPPSYPSYKLENLSSSEMGYTATLTRTTPTFFPKDILTLRLDVMMETENRLHFTIKDPANRRYEVPLETPHVHSRAPSPLYSVEFSEEPFGVIVRRQLDGRVLLNTTVAPLFFADQFLQLSTSLPSQYITGLAEHLSPLMLSTSWTRITLWNRDLAPTPGANLYGSHPFYLALEDGGSAHGVFLLNSNAMDVVLQPSPALSWRSTGGILDVYIFLGPEPKSVVQQYLDVVGYPFMPPYWGLGFHLCRWGYSSTAITRQVVENMTRAHFPLDVQWNDLDYMDSRRDFTFNKDGFRDFPAMVQELHQGGRRYMMIVDPAISSSGPAGSYRPYDEGLRRGVFITNETGQPLIGKVWPGSTAFPDFTNPTALAWWEDMVAEFHDQVPFDGMWIDMNEPSNFIRGSEDGCPNNELENPPYVPGVVGGTLQAATICASSHQFLSTHYNLHNLYGLTEAIASHRALVKARGTRPFVISRSTFAGHGRYAGHWTGDVWSSWEQLASSVPEILQFNLLGVPLVGADVCGFLGNTSEELCVRWTQLGAFYPFMRNHNSLLSLPQEPYSFSEPAQQAMRKALTLRYALLPHLYTLFHQAHVAGETVARPLFLEFPKDSSTWTVDHQLLWGEALLITPVLQAGKAEVTGYFPLGTWYDLQTVPVEALGSLPPPPAAPREPAIHSEGQWVTLPAPLDTINVHLRAGYIIPLQGPGLTTTESRQQPMALAVALTKGGEARGELFWDDGESLEVLERGAYTQVIFLARNNTIVNELVRVTSEGAGLQLQKVTVLGVATAPQQVLSNGVPVSNFTYSPDTKVLDICVSLLMGEQFLVSWC,Dextroamphetamine,DB03129
2539,2539,2539,Not Available,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Dethiobiotin,DB03603
2540,2540,2540,Not Available,COC1=CC(OC)=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C1Cl,,Tretazicar,DB07928
2541,2541,2541,Not Available,CC1=NC=C(COP(O)(O)=O)C(CN)=C1O,,"(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol",DB06933
2542,2542,2542,Perphenazine is a phenothiazine used to treat schizophrenia as well as nausea and vomiting.,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(Cl)C=C3)CC1,,TP-508,DB15444
2543,2543,2543,Bepotastine is an ophthalmic H1 antagonist used to treat itchiness associated with allergic conjunctivitis.,OC(=O)CCCN1CCC(CC1)OC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,,3-[(Acetyl-Methyl-Amino)-Methyl]-4-Amino-N-Methyl-N-(1-Methyl-1h-Indol-2-Ylmethyl)-Benzamide,DB18704
2544,2544,2544,Fontolizumab (marketed under the trade name HuZAF™) is a humanized monoclonal antibody which is used as an immunosuppressive drug to treat Crohn's disease.,,,Ambenonium,DB08190
2545,2545,2545,Not Available,CC(C)OC(=O)C1=C(Cl)C=CC(NC(=O)C2=C(C)OCCS2)=C1,,"[[4-(Aminomethyl)Phenyl]Amino]Oxo-Acetic Acid,",DB09045
2546,2546,2546,Not Available,[H][C@]1(O)O[C@]([H])(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]1([H])OC(C)=O,,Zanamivir,DB01721
2547,2547,2547,Not Available,[H]N(C(=O)OC(C)(C)C)[C@@]([H])(C(C)C)C1=NN=CO1,,Azelastine,DB00696
2548,2548,2548,An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine).,CNCC[C@@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,,Teniposide,DB01068
2549,2549,2549,Not Available,CCCCCCP(O)(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C,,"2,4-Dihydroxy-3,3-Dimethyl-Butyrate",DB03934
2550,2550,2550,Not Available,[NH3+][Co-3]([NH3+])([NH3+])([NH3+])([NH3+])[NH3+],,Castanospermine,DB12023
2551,2551,2551,Not Available,OC(=O)CCCCCCCCCCCBr,,Erteberel,DB03116
2552,2552,2552,Not Available,CCCCC#CC1=CC=C(O1)C(=O)NNC(=S)NC,,Propofol,DB02767
2553,2553,2553,Not Available,OC(=O)C1=C2C(=C(O)N1)C1=C(NC3=C1C=CC=C3)C1=C2C2=C(N1)C=CC=C2,,Dexmedetomidine,DB02524
2554,2554,2554,Not Available,[H]N([C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)O)C(C)=O,,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",DB01125
2555,2555,2555,Not Available,CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23,,S-benzylglutathione,DB03546
2556,2556,2556,Tezacaftor is a medication used to treat homozygous or heterozygous F508del mutation cystic fibrosis.,CC(C)(CO)C1=CC2=CC(NC(=O)C3(CC3)C3=CC=C4OC(F)(F)OC4=C3)=C(F)C=C2N1C[C@@H](O)CO,,4-hydroxybenzoic acid,DB07230
2557,2557,2557,Fexofenadine is a selective H1-antagonist for the symptomatic treatment of seasonal allergic rhinitis and chronic idiopathic urticaria.,CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,,Capmatinib,DB04462
2558,2558,2558,Norgestrel is a progestin used in combination with ethinyl estradiol for oral contraception and prevention of pregnancy in women.,CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,,R1626,DB08003
2559,2559,2559,Not Available,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)N1[H],,ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE,DB04379
2560,2560,2560,Not Available,CC1=C(F)C(OC2=CC(=CC=C2)C(N)=N)=[NH+]C(OC2=CC=CC(=C2)C(N)=N)=C1F,,Edoxaban,DB01657
2561,2561,2561,"Encainide is a voltage-gated sodium channel blocker used for management of atrial or ventricular fibrillation, atrial flutter, and ventricular tachycardia, that is no longer used due to proarrhythmic adverse effects.",COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,,Leucine - Reduced Carbonyl,DB00390
2562,2562,2562,Cyclotheonamide A is a cyclic peptide isolated from the marine sponge Theonella.,[H][C@@]12CCCN1C(=O)[C@H](CNC(=O)\C=C\[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C(=O)[C@H](CCCNC(N)=N)NC2=O)NC=O,,"O6-(R)-ROSCOVITINE, R-2-(6-BENZYLOXY-9-ISOPROPYL-9H-PURIN-2-YLAMINO)-BUTAN-1-OL",DB06996
2563,2563,2563,Not Available,CCN(CC)C1=CC(O)=C(\C=C(/C)C(O)=O)C=C1,,Spironolactone,DB06607
2564,2564,2564,"ALKS 27 is an inhaled formulation of trospium chloride for the treatment of chronic obstructive pulmonary disease (COPD). Study showed that ALKS 27 was well-tolerated over a wide dose range, with no dose-limited effects observed.",,,Telmisartan,DB04648
2565,2565,2565,Not Available,NS(=O)(=O)C1=CC=C(NC2=CC(NC3CCCCC3)=NC3=NC=NN23)C=C1,,2-Deoxy-D-Glucitol 6-(E)-Vinylhomophosphonate,DB05465
2566,2566,2566,Not Available,ClC1=CC(=CC(OC2=C(Cl)C=CC(OCC3=NNC4=C3C=CC=C4)=C2)=C1)C#N,,IMC-1C11,DB13876
2567,2567,2567,"Quisqualic acid is an agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis.",N[C@@H](CN1OC(=O)NC1=O)C(O)=O,,Benzoyl peroxide,DB15627
2568,2568,2568,Ethylmorphine is an opioid analgesic and antitussive agent used to reduce coughs caused by colds and lung infections in combination with codeine.,[H][C@@]12OC3=C(OCC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,,"4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol",DB02035
2569,2569,2569,"Aceclofenac is an oral non-steroidal anti-inflammatory drug (NSAID) with marked anti-inflammatory and analgesic properties used to treat osteoarthritis, rheumatoid arthritis and ankylosing spondylitis. It is reported to have a higher anti-inflammatory action or at least comparable effects than conventional NSAIDs in double-blind studies 2,3,5. Aceclofenac potently inhibits the cyclo-oxygenase enzyme (COX) that is involved in the synthesis of prostaglandins, which are inflammatory mediators that cause pain, swelling, inflammation, and fever. Aceclofenac belongs to BCS Class II as it possesses poor aqueous solubility 2. It displays high permeability to penetrate into synovial joints where in patients with osteoarthritis and related conditions, the loss of articular cartilage in the area causes joint pain, tenderness, stiffness, crepitus, and local inflammation 1. Aceclofenac is also reported to be effective in other painful conditions such as dental and gynaecological conditions 7. In 1991, aceclofenac was developed as an analog of a commonly prescribed NSAID, Diclofenac, via chemical modification in effort to improve the gastrointestinal tolerability of the drug. It is a more commonly prescribed drug in Europe.",OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,,Fenofibrate,DB01014
2570,2570,2570,Balsalazide is an aminosalicylate used to treat ulcerative colitis.,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O,,Heptyl 1-Thiohexopyranoside,DB14631
2571,2571,2571,Talmapimod is the first-generation oral p38 MAP kinase inhibitor developed by Scios. It has shown to be effective to cure inflammatory diseases such as Rheumatoid Arthritis.,[H][C@]1(C)CN(C(=O)C2=C(Cl)C=C3N(C)C=C(C(=O)C(=O)N(C)C)C3=C2)[C@]([H])(C)CN1CC1=CC=C(F)C=C1,,"1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE",DB00995
2572,2572,2572,Sacituzumab govitecan is sacituzumab govitecan targets TROP-2-expressing cancer cells through a humanized antibody (RS7) before subsequently becoming internalized and releasing the topoisomerase I inhibitor SN-38 to induce DNA damage-mediated apoptosis.,,,Morpholine-4-Carboxylic Acid [1-(2-Benzylsulfanyl-1-Formyl-Ethylcarbamoyl)-2-Phenyl-Ethyl]-Amide,DB01884
2573,2573,2573,Not Available,COC1=CC=CC(CC2=CNC3=C2C=CC=N3)=C1,,Triethylene glycol,DB07375
2574,2574,2574,Not Available,OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O,,Pyruvaldehyde,DB00668
2575,2575,2575,Not Available,NC1=NC(=O)C2=NC(CO)=CN=C2N1,,(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE,DB00212
2576,2576,2576,Not Available,OC1=CC=CC=C1Cl,,"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DB04579
2577,2577,2577,Not Available,NC1=CC=C(SC2=CC=C(C=C2)N2C(=O)C3=C(C=C(N)C=C3)C2=O)C=C1,,Bevacizumab,DB00106
2578,2578,2578,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=C(F)C=C1,,Methysergide,DB00381
2579,2579,2579,Not Available,CC1=CC=C(O)C=C1,,Triptorelin,DB07835
2580,2580,2580,Dinoprost is a medication used to induce a second trimester abortion.,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCCCC,,SSR-126517E,DB00081
2581,2581,2581,Metformin is a biguanide antihyperglycemic used in conjunction with diet and exercise for glycemic control in type 2 diabetes mellitus. It is also used off-label for insulin resistance in polycystic ovary syndrome (PCOS).,CN(C)C(=N)NC(N)=N,,Afelimomab,DB03907
2582,2582,2582,Not Available,O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O)=O,,3-Acetylpyridine Adenine Dinucleotide,DB02552
2583,2583,2583,Not Available,[H][C@@]1(F)C[C@]([H])(CC(=C1)C(=O)NC1=CC=C(Cl)C(COC2=CN=CC=C2)=C1)N1CCOCC1,,Diltiazem,DB04725
2584,2584,2584,Not Available,[H][C@@]1(O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@]1([H])O,,Dioxybenzone,DB04616
2585,2585,2585,"Immunoglobulin G1, anti-(human CD30 (antigen)) (human monoclonal MDX-060 heavy chain), disulfide with human monoclonal MDX-060 light chain, dimer. Molecular weight is approximately 170,000 daltons. In phase I/II clinical trials for treatment of CD30+ lymphomas.",,,Asunaprevir,DB06979
2586,2586,2586,Not Available,CCCNCCCNCCCNCC,,(P-Iodophenylacetylamino)Methylphosphinic Acid,DB07568
2587,2587,2587,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C4=CC=C(O)C=C4)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,"4-Amino-2-[(3-chlorophenyl)amino]-5-(4-fluorobenzoyl)-1,3-thiazol-3-ium",DB01812
2588,2588,2588,Milataxel has been used in trials studying the treatment of Mesothelioma.,CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C4=CC=CO4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C,,(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID,DB07228
2589,2589,2589,"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is a solid. This compound belongs to the pyrrolotriazines. These are compounds containing a pyrrolotriazine moiety, which consists of a pyrrole ring fused to a triazine ring. N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is known to target mitogen-activated protein kinase 14.",CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C,,Interferon beta-1b,DB04253
2590,2590,2590,Not Available,CCCCCC(C)C1=C(O)C(=CC(=C1)N(=O)=O)N(=O)=O,,"6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one",DB08683
2591,2591,2591,Not Available,CC1=CC2=CC3=[N+]4C(=CC5=C(C=C)C(C)=C6OC7=C(C=C)C(C)=C8C=C1N2[Fe]4(N56)N78)C(C)=C3CCC(O)=O,,4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,DB15694
2592,2592,2592,Zinc is an essential element commonly used for the treatment of patients with documented zinc deficiency.,[Zn],,sn-glycerol 3-phosphateCommonly known or available as 3-Phosphoglycerol,DB06147
2593,2593,2593,Not Available,N[C@@H](CCC\N=C(/N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O,,"2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide",DB09559
2594,2594,2594,Not Available,CS(=O)(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,,3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide,DB06877
2595,2595,2595,Mazindol is a sympathomimetic used to treat obesity in combination with lifestyle modifications.,OC1(N2CCN=C2C2=CC=CC=C12)C1=CC=C(Cl)C=C1,,Ziconotide,DB04512
2596,2596,2596,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3=CC=CC=C3)[C@@H](O)[C@H]2O)C1=O,,Guanadrel,DB00703
2597,2597,2597,Not Available,[H][C@@](C)(N)C(=O)C1=NN=C(O1)C(C)(C)C,,N-acetyl-beta-D-galactosamine 6-sulfate,DB01972
2598,2598,2598,Xylometazoline is a direct-acting alpha-adrenergic agonist used for the symptomatic treatment of nasal congestion and minor inflammation due to allergies or colds.,CC1=CC(=CC(C)=C1CC1=NCCN1)C(C)(C)C,,Tolazamide,DB00134
2599,2599,2599,Not Available,[H][C@]1(O)C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O,,Arsanilic acid,DB02798
2600,2600,2600,Not Available,OC(CC1=CC=CC(=C1)C1=CC(=CC=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,,Proflavine,DB02498
2601,2601,2601,"Prednisolone is a glucocorticoid used to treat adrenocortical insufficiency, inflammatory conditions, and some cancers.",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Azvudine,DB04432
2602,2602,2602,Regadenoson is a coronary vasodilator used in radionuclide myocardial perfusion imaging (MPI).,CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1,,"1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One",DB03046
2603,2603,2603,Not Available,NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O,,Cefadroxil,DB00165
2604,2604,2604,Vosoritide is an analogue of C-type naturietic peptide used to promote bone growth in pediatric patients with achondroplasia.,,,"3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE",DB01953
2605,2605,2605,Not Available,CC1=CN=C2C(=C1)C(C)=C(C)C1=C2[N+](C)=CC(C)=C1,,Dimethylallyl Diphosphate,DB08766
2606,2606,2606,Not Available,CCCC\C(C)=C\C=C(/C)C(=O)C1=C(O)C=C(CCC\C=C\NC(=O)OC)OC1=O,,"1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DB00858
2607,2607,2607,Avacincaptad pegol is an RNA aptamer inhibiting the complement C5 indicated for the treatment of geographic atrophy secondary to age-related macular degeneration.,,,Agomelatine,DB06834
2608,2608,2608,Not Available,[H][C@]1(N)CCC2=CC=CC=C2[C@@]1([H])O,,Lithium citrate,DB04197
2609,2609,2609,Oteseconazole is an azole antifungal used to prevent recurrent vulvovaginal candidiasis in females who are not of reproductive potential.,O[C@@](CN1C=NN=N1)(C1=CC=C(F)C=C1F)C(F)(F)C1=CC=C(C=N1)C1=CC=C(OCC(F)(F)F)C=C1,,Imexon,DB07029
2610,2610,2610,Component of human seminal plasma & spermatozoa.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)[C@H](C)CCCC(C)C,,2-Phenylheme,DB01961
2611,2611,2611,"Phenoxymethylpenicillin is a penicillin antibiotic used to prevent and treat mild to moderately severe infections in the respiratory tract, skin, and soft tissues.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(O)=O,,Rupintrivir,DB12332
2612,2612,2612,Not Available,OC(=O)C(=C)OP(O)(O)=O,,N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE,DB07403
2613,2613,2613,Naloxegol is a peripherally-selective opioid antagonist used to treat opioid-induced constipation (OIC) in adult patients with chronic non-cancer pain.,COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC=C)[C@H]1O5,,"Zinc sulfate, unspecified form",DB06953
2614,2614,2614,Not Available,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C(OCCN2CCCC2)=C1,,Limaprost,DB06932
2615,2615,2615,"Cefalotin is a broad-spectrum cephalosporin antibiotic used for the treatment of serious bacterial infections in various locations, such as the urinary tract, skin, bone, and lower respiratory tract.",[H][C@@]1(NC(=O)CC2=CC=CS2)C(=O)N2C(C(O)=O)=C(COC(C)=O)CS[C@]12[H],,R-95845,DB07209
2616,2616,2616,Not Available,[H]/C1=C([H])\C(=O)O[C@]([H])([C@@]([H])(C)[C@@]([H])(OC)[C@@]([H])(C)CCC(=O)[C@]([H])(C)[C@@]([H])(CCC(O)=O)OC)[C@@]([H])(C)\C([H])=C([H])\[C@@]([H])(C[C@]([H])(OC)[C@@]([H])(C)\C([H])=C([H])\[C@]([H])(C[C@]([H])(OC)[C@@]([H])(C)[C@@]2([H])CC(C[C@@]([H])(C\C(C)=C\1/[H])OC)=CC(=O)O2)OC)OC,,"(1r)-4-[(1e,3e,5e,7z,9e,11z,13e,15e)-17-Hydroxy-3,7,12,16-Tetramethylheptadeca-1,3,5,7,9,11,13,15-Octaen-1-Yl]-3,5,5-Trimethylcyclohex-3-En-1-Ol",DB02386
2617,2617,2617,Recombinant osteoprotegerin (AMGN-0007) is a recombinant OPG construct developed as a potential therapeutic agent in the treatment of bone disease.,,ETFPPKYLHYDEETSHQLLCDKCPPGTYLKQHCTAKWKTVCAPCPDHYYTDSWHTSDECLYCSPVCKELQYVKQECNRTHNRVCECKEGRYLEIEFCLKHRSCPPGFGVVQAGTPERNTVCKRCPDGFFSNETSSKAPCRKHTNCSVFGLLLTQKGNATHDNICSGNSESTQKCGIDVTL,Rubitecan,DB07571
2618,2618,2618,Bivalirudin is a direct thrombin inhibitor used to treat heparin-induced thrombocytopenia and to prevent thrombosis during percutaneous coronary intervention.,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O,,Farnesol,DB13901
2619,2619,2619,Not Available,O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O,,Relatlimab,DB03033
2620,2620,2620,"MLN518 is a novel, oral, small molecule designed to inhibit type III receptor tyrosine kinases, including FLT3, (platelet-derived growth-factor receptor) PDGFR and c-KIT. Tyrosine kinases are enzymes involved in several cellular processes and are known to be activated in cancer cells to drive tumor growth. AML patients with FLT3 mutations experience earlier disease relapse and shorter survival rates compared to patients without these mutations. Approximately 25 to 30 percent of all adult AML patients have a mutation of the FLT3 gene. The use of MLN518 to treat AML has been granted fast-track status by the U.S. Food and Drug Administration. Phase I/II trials are underway.",COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(N3CCN(CC3)C(=O)NC3=CC=C(OC(C)C)C=C3)C2=C1,,"beta-D-fructofuranose 1,6-bisphosphate",DB04101
2621,2621,2621,"Merimepodib (VX-497) is a novel noncompetitive inhibitor of IMPDH. Merimepodib is orally bioavailable and inhibits the proliferation of primary human, mouse, rat, and dog lymphocytes at concentrations of approximately 100 nM.",COC1=C(C=CC(NC(=O)NC2=CC=CC(CNC(=O)O[C@H]3CCOC3)=C2)=C1)C1=CN=CO1,,Namn,DB08378
2622,2622,2622,Not Available,OB(O)C1=CC=C(C=C1)C1=CC=C(C=C1)B(O)O,,Estradiol valerate,DB02473
2623,2623,2623,"Cannabidiol is an active cannabinoid used as an adjunctive treatment for the management of seizures associated with Lennox-Gastaut syndrome or Dravet syndrome and symptomatic relief of moderate to severe neuropathic pain or other painful conditions, like cancer.",CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1,,ALKS 27,DB07470
2624,2624,2624,Not Available,[H][C@]1(C)CC[C@]2([H])C(=C[C@@]3([H])CC(C)(C)C[C@@]123)C(O)=O,,L-Xylopyranose,DB07930
2625,2625,2625,"Pindolol is a beta adrenoceptor antagonist used to treat hypertension, edema, ventricular tachycardias, and atrial fibrillation.",CC(C)NCC(O)COC1=CC=CC2=C1C=CN2,,Metocurine iodide,DB07075
2626,2626,2626,Sipuleucel-T is an autologous cellular immunotherapy indicated for the treatment of asymptomatic or minimally symptomatic metastatic castrate resistant (hormone refractory) prostate cancer.,,,5-Fluorolevulinic Acid,DB15873
2627,2627,2627,Not Available,[H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC2=O,,Deutetrabenazine,DB07156
2628,2628,2628,Not Available,C1CCC2=C(P(C(=C2C1)C1=NC=CC=C1)C1=CC=CC=C1)C1=NC=CC=C1,,MN-305,DB06154
2629,2629,2629,Not Available,CS(=O)(=O)CC[C@H](N)C(O)=O,,Vilobelimab,DB01251
2630,2630,2630,Not Available,O[C@@H](COP(O)(O)=O)[C@@H](O)C(O)=O,,DECANE-1-THIOL,DB03227
2631,2631,2631,Glasdegib is a sonic hedgehog receptor inhibitor used to treat newly diagnosed acute myeloid leukemia in patients over 75 years who cannot receive intense chemotherapy.,CN1CC[C@H](C[C@@H]1C1=NC2=CC=CC=C2N1)NC(=O)NC1=CC=C(C=C1)C#N,,"7-methyl-7,8-dihydroguanosine-5'-diphosphate",DB02550
2632,2632,2632,"FK778, a novel compound with multiple mechanisms of action, is efficacious, well tolerated and safe in kidney transplant patients, potentially offering a breakthrough in immunosuppressive therapy.",O\C(CCC#C)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,,R-82913,DB07830
2633,2633,2633,Ritlecitinib is a kinase inhibitor used to treat severe alopecia areata in adults and adolescents 12 years and older.,C[C@H]1CC[C@H](CN1C(=O)C=C)NC1=NC=NC2=C1C=CN2,,TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL,DB03396
2634,2634,2634,Not Available,CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O)OC(=O)CCCCCCCCCCCCCCC,,Cefapirin,DB03399
2635,2635,2635,Not Available,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1,,(Hydroxyethyloxy)Tri(Ethyloxy)Octane,DB07424
2636,2636,2636,Not Available,Cl.COC1=C(OC)C(=CC(Cl)=C1)C(C)NC1=CC(=CC=C1S(C)(=O)=O)N1CCNCC1,,Treprostinil,DB00519
2637,2637,2637,The pyranose form of D-quinovose with an α-configuration at the anomeric position .,[H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Sibrotuzumab,DB01341
2638,2638,2638,Not Available,CCCCS(=O)(=O)CCC(O)=O,,2-Fluoroadenosine,DB04880
2639,2639,2639,Not Available,NCC[C@H](N)C(O)=O,,Ibrexafungerp,DB07701
2640,2640,2640,"Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. [PubChem]",CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2,,Mirdametinib,DB01253
2641,2641,2641,Not Available,N1C=NC2=CC=CC=C12,,Pegademase,DB08367
2642,2642,2642,,OCCCC(O)=O,,MF268,DB04722
2643,2643,2643,Not Available,[H][C@](N)(O)CC[C@@]([H])(N)CC1=CC=C(O)C=C1,,Ganirelix,DB11796
2644,2644,2644,"Polyethylene glycol 400 is an ingredient used in a wide variety of medications, and is not an approved medication.",,,Torasemide,DB04920
2645,2645,2645,"Methotrexate is an antineoplastic agent used the treatment of a wide variety of cancers as well as severe psoriasis, severe rheumatoid arthritis, and juvenile rheumatoid arthritis.",[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)NC(=N)N=C2N=C1)C(O)=O,,(S)-Mandelic acid,DB04151
2646,2646,2646,Not Available,[H][C@@](CI)(CC1=CC=CC=C1)C(O)=O,,Tiagabine,DB00485
2647,2647,2647,Levosalbutamol is a beta-2 adrenergic receptor agonist used to treat COPD and asthma.,CC(C)(C)NC[C@H](O)C1=CC(CO)=C(O)C=C1,,WRR-204,DB00026
2648,2648,2648,Not Available,[H][C@@]1(CC2CCN(CC3=CC=CC=C3)CC2)CC2=CC(OC)=C(OC)C=C2C1=O,,"5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID",DB16580
2649,2649,2649,Not Available,[H][C@@]1(CCCNC1)NC(=O)C1=NNC=C1NC(=O)C1=C(F)C=CC=C1F,,"2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE",DB05796
2650,2650,2650,Ivabradine is a HCN channel blocker used to reduce the risk of hospitalization for worsening heart failure in adult patients and for treatment of stable symptomatic heart failure as a result of dilated cardiomyopathy in pediatric patients.,COC1=C(OC)C=C2[C@@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1,,Lupeol,DB06870
2651,2651,2651,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCNC1=CC=NC=C1,,Ractopamine,DB08331
2652,2652,2652,Belatacept is a selective T-cell costimulation blocker used in the prophylaxis of organ rejection in adult patients receiving a kidney transplant.,,MHVAQPAVVLASSRGIASFVCEYASPGKYTEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYEGIGNGTQIYVIDPEPCPDSDQEPKSSDKTHTSPPSPAPELLGGSSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Brigatinib,DB04190
2653,2653,2653,"Moxonidine is an imidazoline/α-2 receptor agonist used to treat hypertension, especially in cases where ACE inhibitors, β-blockers, calcium channel blockers, and thiazides are not appropriate or provide inadequate blood pressure control.",COC1=NC(C)=NC(Cl)=C1NC1=NCCN1,,"1,2,4-Triazole",DB00545
2654,2654,2654,Not Available,[H][C@](CC(O)=O)(CC1=CC=CC2=CC=CC=C12)N1C(=O)C2=CC=C(C=C2C1=O)C(O)=O,,Potassium sulfate,DB02370
2655,2655,2655,Not Available,[H][C@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,,Oxybenzone,DB00157
2656,2656,2656,Not Available,OC(=O)\C=C\C1=CC=C(C=C1)C(O)=O,,Carba-nicotinamide-adenine-dinucleotide,DB07185
2657,2657,2657,Not Available,[H][C@@](CC(O)=O)(C(F)F)S(=O)(=O)C1=CC=C(OC)C=C1,,"N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide",DB12709
2658,2658,2658,Baricitinib is a Janus kinase inhibitor used to treat moderate to severe rheumatoid arthritis that has responded poorly to at least one TNF antagonist.,CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1,,"2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",DB07325
2659,2659,2659,Not Available,NS(=O)(=O)C1=NN=C(NS(=O)(=O)C2=CC=CC=C2)S1,,6-Chloro-4-[(R)-cyclohexylsulfinyl]-3-propyl-2(1H)-quinolinone,DB01244
2660,2660,2660,Not Available,[H][C@@]1(N)NC2=C([N+](C)=CN2C)[C@]([H])(O)N1,,Otenabant,DB00356
2661,2661,2661,Guanadrel is an antihypertensive agent and postganglionic adrenergic blocking agent.,NC(N)=NCC1COC2(CCCCC2)O1,,Benzamidine,DB05559
2662,2662,2662,Not Available,C[C@H](CO)CCO[P@](O)(=O)OP(O)(O)=O,,"(3AALPHA,4ALPHA,7ALPHA,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE",DB01970
2663,2663,2663,Mosunetuzumab is a humanized anti-CD20/CD3 bispecific antibody used to treat relapsed or refractory follicular lymphoma.,,EVQLVQSGAEVKKPGASVKVSCKASGYTFTNYYIHWVRQAPGQGLEWIGWIYPGDGNTKYNEKFKGRATLTADTSTSTAYLELSSLRSEDTAVYYCARDSYSNYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYGSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE,DB06073
2664,2664,2664,"R673 is a novel NK1 antagonist that penetrates the blood-brain barrier, has excellent safety and tolerability and shows low P450-based drug interaction potential. The phase II program for treatment of depression and anxiety is ongoing in the US and EU.It is not clear how tachykinin antagonists exert their effect, but SP levels have been commonly linked to the functioning of limbic system with respect to anxiety and depression.",,,"4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide",DB02793
2665,2665,2665,"Binodenoson is a pharmacologic stress agent specific to the only adenosine receptor necessary for increased cardiac blood flow, the A2A receptor. This specificity allows Binodenoson to deliver - in a single injection - a more effective dose of medication with fewer side effects than current treatments, which typically require a 15-20 minute infusion.",OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=C(N\N=C\C3CCCCC3)N=C12,,Trimetazidine,DB06605
2666,2666,2666,Bryostatin 1 has been investigated for the treatment of HIV Infection and Alzheimer's Disease.,[H][C@]12C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@]3([H])C\C(C[C@@]([H])(O3)\C=C\C(C)(C)[C@]3(O)O[C@@]([H])(C\C(=C/C(=O)OC)[C@@H]3OC(=O)\C=C\C=C\CCC)C[C@@]([H])(OC(=O)C[C@H](O)C1)[C@@H](C)O)=C\C(=O)OC)O2,,Spesolimab,DB05303
2667,2667,2667,"A second-generation cephalosporin administered intravenously or intramuscularly. Its bactericidal action results from inhibition of cell wall synthesis. It is used for urinary tract infections, lower respiratory tract infections, and soft tissue and bone infections.",[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,,1h-Benoximidazole-2-Carboxylic Acid,DB05511
2668,2668,2668,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C(NCC3=CC=C(Cl)C(Cl)=C3)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Mafenide,DB01057
2669,2669,2669,Not Available,COCCOCCOCCOCCOCCOC,,Cysteine,DB14146
2670,2670,2670,Ferrous succinate is an iron supplement indicated in the treatment of iron deficiency anemia.,[Fe++].[O-]C(=O)CCC([O-])=O,,Phenoxybenzamine,DB13878
2671,2671,2671,"Capivasertib is a serine/threonine kinase inhibitor used to treat hormone receptor-positive, HER2-negative, locally advanced or metastatic breast cancer",NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1,,"2-[(2e,6e,10e,14e,18e,22e,26e)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-Octaenyl]Phenol",DB04183
2672,2672,2672,"Pregabalin is an anticonvulsant drug used to treat neuropathic pain conditions and fibromyalgia, and for the treatment of partial onset seizures in combination with other anticonvulsants.",CC(C)C[C@H](CN)CC(O)=O,,Fosfomycin,DB03716
2673,2673,2673,Not Available,CC(C)C(=O)N1C2=C(C=C(C)C(C)=C2)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN=C3C2=NC=NC3=N)C2=C1C([O-])=NC(=O)N2,,D-Galctopyranosyl-1-On,DB03685
2674,2674,2674,Deucravacitinib is a TYK2 inhibitor being investigated as a treatment for psoriasis.,[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C2CC2)N=N1,,2-(Thiomethylene)-4-Methylpentanoic Acid,DB03712
2675,2675,2675,Not Available,CCCCCC(=O)CP(O)(O)=O,,Mepyramine,DB07030
2676,2676,2676,Pimasertib is under investigation in clinical trial NCT01378377 (Combination Trial of Pimasertib (MSC1936369B) With Temsirolimus).,OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1,,"N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide",DB09112
2677,2677,2677,"Itraconazole is a triazole antifungal agent used to treat various fungal infections, such as blastomycosis and onychomycosis.",CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,"2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide",DB03138
2678,2678,2678,Not Available,C[C@@H](NC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O)B(O)O,,(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid,DB03379
2679,2679,2679,"Salicylic acid is an acid used to treat acne, psoriasis, calluses, corns, keratosis pilaris, and warts.",OC(=O)C1=CC=CC=C1O,,3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL,DB03273
2680,2680,2680,Bedaquiline is a diarylquinoline antimycobacterial used in combination with other antibacterials to treat pulmonary multidrug resistant tuberculosis (MDR-TB).,COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2,,Insulin argine,DB05013
2681,2681,2681,Not Available,CC1=CC(C)=[N+](CCC2=CC=C(C=C2)S(N)(=O)=O)C(C)=C1,,"2-[3,4-Dihydroxy-2-Hydroxymethyl-5-(2-Hydroxy-Nonyl)-Tetrahydro-Furan-2-Yloxy]-6-Hydroxymethyl-Tetra Hydro-Pyran-3,4,5-Triol",DB01669
2682,2682,2682,Oxibendazole is a polymerase inhibitor in phase III trials for the treatment of helminth intestinal infections.,CCCOC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,,Antrafenine,DB04063
2683,2683,2683,Not Available,NS(=O)(=O)C1=CC=C(C=C1C(F)(F)F)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,,"(5S,6S)-6-[(R)ACETOXYETH-2-YL]-PENEM-3-CARBOXYLATEPROPANE",DB01407
2684,2684,2684,Not Available,CC1=CC(=CC(C)=C1)C(=O)N(NC(=O)C1=C(C)C2=C(OCCO2)C=C1)C(C)(C)C,,Allylestrenol,DB13007
2685,2685,2685,Not Available,CC(C)CC(=O)O[C@H]1[C@@H](O[C@@H]2C[C@]3(C)[C@H]4CC[C@@H]5C[C@@]4(CC[C@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@@H](COO)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O,,Azathioprine,DB07478
2686,2686,2686,"Clidinium is a synthetic anticholinergic used to treat peptic ulcer disease, colicky abdominal pain, diverticulitis, and IBS.",C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,,"N'-(Pyrrolidino[2,1-B]Isoindolin-4-On-8-Yl)-N-(Pyridin-2-Yl)Urea",DB03412
2687,2687,2687,Not Available,NC(=O)C1=CC=CC(O)=C1O,,Bisphenol Z,DB11312
2688,2688,2688,Not Available,NC1=NC(=O)\C(N1)=C1/CCNC(=O)C2=C1C=CN2,,Mepivacaine,DB00411
2689,2689,2689,Diphenoxylate is an antidiarrheal medication used with atropine to manage diarrhea.,CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1,,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea,DB01105
2690,2690,2690,"Carphenazine is an antipsychotic drug, used in hospitalized patients in the management of chronic schizophrenic psychoses.",CCC(=O)C1=CC=C2SC3=C(C=CC=C3)N(CCCN3CCN(CCO)CC3)C2=C1,,(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one,DB03688
2691,2691,2691,Not Available,N[C@@H](CC1=CNC2=NC=CC=C12)C(O)=O,,S-(Dimethylarsenic)Cysteine,DB11837
2692,2692,2692,Not Available,[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,,2-Amino-1H-benzimidazol-5-ol,DB08348
2693,2693,2693,Not Available,[H][C@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O,,Bis(5-Amidino-Benzimidazolyl)Methane,DB08637
2694,2694,2694,Not Available,[H][C@@]1(CCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(=O)NCCS,,"6-[N-(1-Isopropyl-3,4-Dihydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DB03859
2695,2695,2695,Not Available,OCC1=C2N=C(C=C(NCC3=CN=CC=C3)N2N=C1)C1=CC=CC=C1,,Neovastat,DB04084
2696,2696,2696,,COC1=CC2=C(CCNC(C)=O)C=CC=C2C=C1,,Ribavirin,DB00311
2697,2697,2697,Not Available,[H][C@@]1(O)COP(O)(=O)OP(O)(=O)O[C@@]1(C)CO,,Nateglinide,DB02057
2698,2698,2698,Not Available,[H][C@@]12CC[C@@](C)(C(=S)C1)C2(C)C,,Ivacaftor,DB05023
2699,2699,2699,Daratumumab is a CD38-directed cytolytic antibody used alone or as an adjunct drug in the treatment of multiple myeloma and light chain amyloidosis.,,EVQLLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVSAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,5'-S-methyl-5'-thioadenosine,DB04136
2700,2700,2700,Not Available,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=CC(=NC=N1)N([H])C1=C(F)C=CC=C1F,,Prephenic acid,DB08546
2701,2701,2701,Not Available,[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1,,CRA_1144,DB06751
2702,2702,2702,"Fomivirsen is a antisense 21 mer phosphorothioate oligonucleotide. It is an antiviral agent that was used in the treatment of cytomegalovirus retinitis (CMV) in immunocompromised patients, including those with AIDS. As a complementary nucleotide to the messenger RNA of the major immediate-early region proteins of human cytomegalovirus, it disrupts the replication of the virus through an antisense mechanism 6. It was discovered by scientists at the National Institutes of Health (NIH) and was first developed by Isis Pharmaceuticals and subsequently licensed to Novartis 3. The drug was withdrawn by the FDA because while there was a high unmet need for drugs to treat CMV when the drug was initially discovered and developed due to the CMV arising in people with AIDS, the development of HAART dramatically reduced the number of cases of CMV. Fomivirsen is marketed under the trade name Vitravene for intravitreal injection and was the first antisense drug to be approved by the Food and Drug Administration (FDA).",,,"1,3-diphenylurea",DB00927
2703,2703,2703,"Vicagrel is under investigation in clinical trial NCT03599284 (The Efficacy, Safety and Pharmacokinetic of Antiplatelet Therapy for Vicagrel).",COC(=O)[C@@H](N1CCC2=C(C1)C=C(OC(C)=O)S2)C1=C(Cl)C=CC=C1,,3-Trimethylsilylsuccinic Acid,DB01426
2704,2704,2704,"Varlitinib is an oral, selective, reversible, small molecule tyrosine kinase inhibitor of both ErbB-2 (Her-2/neu) and EGFR. Over-expression of ErbB-2 and EGFR receptors in tumors is predictive of poor prognosis in cancer patients. Varlitinib has shown significant anti-tumor activity in preclinical models of human breast, lung, and epidermal carcinoma tumors.",C[C@@H]1COC(NC2=CC=C3N=CN=C(NC4=CC=C(OCC5=NC=CS5)C(Cl)=C4)C3=C2)=N1,,Ethchlorvynol,DB08392
2705,2705,2705,"Verubecestat is under investigation for the treatment of Alzheimer's Disease, Prodromal Alzheimer's disease, and Amnestic Mild Cognitive Impairment.",CN1C(N)=N[C@@](C)(CS1(=O)=O)C1=CC(NC(=O)C2=CC=C(F)C=N2)=CC=C1F,,Human Rho(D) immune globulin,DB07349
2706,2706,2706,Not Available,[H]N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=C(C(=O)N([H])C(=O)N1[H])[N+]([O-])=O,,Irosustat,DB02391
2707,2707,2707,Not Available,OC(=O)CCCCCCCCC(O)=O,,Valproic acid,DB02403
2708,2708,2708,Polythiazide is a thiazide diuretic used in the management of hypertension and treatment of edema.,CN1C(CSCC(F)(F)F)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,,Tigapotide,DB07308
2709,2709,2709,Not Available,OC(=O)C1=C(C2=CNC3=C(Cl)C=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C(Cl)C=CC=C12,,Romosozumab,DB02659
2710,2710,2710,Umeclidinium is a long-acting muscarinic antagonist used as a long-term maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease (COPD).,OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2,,Desmopressin,DB02571
2711,2711,2711,Equine Botulinum Neurotoxin G Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,Afimetoran,DB00824
2712,2712,2712,Pancuronium is a neuromuscular blocker used as an adjunct to general anesthesia to facilitate tracheal intubation and to provide skeletal muscle relaxation during surgery or mechanical ventilation.,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1,,Nafamostat,DB11771
2713,2713,2713,Amprenavir is a protease inhibitor used to treat HIV infection.,CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,,Isoflurane,DB02274
2714,2714,2714,Not Available,[H][C@](N)(CC1=CC=CC2=C1C=CC=C2)C(N)=O,,Propiverine,DB00798
2715,2715,2715,Not Available,C[C@@H](OC1=CC=C(OC2=C(Cl)C=C(C=N2)C(F)(F)F)C=C1)C(O)=O,,N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE,DB08628
2716,2716,2716,Not Available,COC1=CC2=NC=NC(NC3=CC(SC)=CC=C3)=C2C=C1OC,,Tivirapine,DB02382
2717,2717,2717,Not Available,FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1,,Teprotumumab,DB04021
2718,2718,2718,Peramivir is an intravenous antiviral agent used to treat acute uncomplicated influenza in patients aged 2 years and older who are shown to be symptomatic for no more than two days.,[H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O,,1-benzylimidazole,DB04757
2719,2719,2719,Nizatidine is an H2 receptor antagonist used to treat GERD and a variety of ulcers.,CNC(NCCSCC1=CSC(CN(C)C)=N1)=C[N+]([O-])=O,,Dextropropoxyphene,DB16019
2720,2720,2720,"Ticagrelor is a P2Y12 platelet inhibitor used in patients with a history of myocardial infarction or with acute coronary syndrome (ACS) to prevent future myocardial infarction, stroke and cardiovascular death.",CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1,,Rezafungin,DB09256
2721,2721,2721,"Rauwolfia (Rauwolfia serpentina), also spelled ravolphia, is a medicinal plant in the milkweed family. The root of the plant is ground into a powder or sold in tablets or capsules. It is a compound commonly used in Asian medicine, which includes traditional Ayurvedic medicine native to India. The active ingredients in this drug are alkaloids and about 50 have been identified through various studies, although the primary psychoactive components appear to be reserpine, rescinnamine, and deserpidine 10.",,,Atrazine,DB01569
2722,2722,2722,"Forasartan, a specific angiotensin II antagonist, is used alone or with other antihypertensive agents to treat hypertension. Forasartan competes with angiotensin II for binding at the AT1 receptor subtype. As angiotensin II is a vasoconstrictor which also stimulates the synthesis and release of aldosterone, blockage of its effects results in a decreases in systemic vascular resistance.",CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1,,Letermovir,DB00884
2723,2723,2723,Not Available,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)CC(=O)NC1=O,,"4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE",DB07169
2724,2724,2724,Not Available,[H]N(P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O)P(O)(=O)OP(O)(O)=O,,Betamethasone,DB04875
2725,2725,2725,"Diflorasone is a topical corticosteroid used to treat the symptoms of various inflammatory skin conditions that cause erythema, pruritus, and discomfort.",[H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,Quinacrine,DB07977
2726,2726,2726,"1D09C3, a monoclonal antibody against lymphoid cancers, is an anti-MHC (major histocompatibility complex) class II monoclonal antibody. The antibody was isolated in collaboration with MorphoSys from its HuCAL(R) library of human antibodies. 1D09C3 binds to certain cell surface receptors, selectively killing activated, proliferating MHC class II-positive tumor cells, which include those in B-cell and T-cell lymphomas. 1D09C3 has been shown to induce programmed cell death and does not require a functioning immune system for its cell-killing effect.",,,"N,N-dimethylformamide",DB01634
2727,2727,2727,"Spebrutinib has been used in trials studying the treatment of Rheumatoid Arthritis, Lymphoma, Large B-Cell, Diffuse, and Leukemia Lymphocytic Chronic B-Cell.",COCCOC1=CC=C(NC2=NC=C(F)C(NC3=CC=CC(NC(=O)C=C)=C3)=N2)C=C1,,Cefpodoxime,DB03739
2728,2728,2728,Elranatamab is a bispecific antibody used to treat adults with relapsed or refractory multiple myeloma.,,EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYYMTWVRQAPGKGLEWVAFIRNRARGYTSDHNPSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARDRPSYYVLDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCRVRCPRCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVAVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPSSIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSRLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid",DB08715
2729,2729,2729,Not Available,N[C@@H](CSCCO)C(O)=O,,HY10275,DB07420
2730,2730,2730,Not Available,O1N2C(=[O+][Fe-3]1134ON(C(=[O+]1)C)CCC[C@](C(=O)N[C@@](C(=O)N[C@@](C(O)=O)([C@@]([C@]1(S[C@@](N5C=C\C(=N\C(N)=O)N(C5=O)C)([C@@]([C@]1([H])O)([H])O)[H])[H])([H])O)[H])([H])CO)([H])NC([C@@]([H])(CCCN(O3)C(=[O+]4)C)NC([C@]([H])(N)CCC2)=O)=O)C,,Evobrutinib,DB08864
2731,2731,2731,Not Available,O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O,,METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE,DB12668
2732,2732,2732,"Damoctocog alfa pegol is a recombinant Factor VIII used to treat hemophilia A to control bleeding, perioperative bleeding, and also for prophylaxis of bleeding.",,,Phosphatidylethanolamine,DB09330
2733,2733,2733,Not Available,O=C1C=C(OC2=CC=CC=C12)C1=CC=CC=C1,,Soraphen A,DB07692
2734,2734,2734,Not Available,[H][C@]12CC(=O)O[C@]1([H])C1=C(C(=O)C3=C(C=CC=C3O)C1=O)[C@]([H])(C)O2,,PG-530742,DB02364
2735,2735,2735,Not Available,[H][C@]1(CC2=CC=C(O)C(OC)=C2)COC(=O)[C@]1([H])CC1=CC=C(O)C(OC)=C1,,2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,DB04924
2736,2736,2736,Not Available,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=N/O)\C1=CC=C2C=C(C=CC2=C1)C(O)=O,,PN0621,DB03482
2737,2737,2737,"An essential aromatic amino acid that is a precursor of melanin; dopamine; noradrenalin (norepinephrine), and thyroxine. [PubChem]",N[C@H](CC1=CC=CC=C1)C(O)=O,,"Tazobactam trans-enamine intermediateCommonly known or available as (3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",DB00494
2738,2738,2738,Naratriptan is a 5-HT1B/1D receptor agonist used to treat migraines.,CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1,,"(2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE",DB04926
2739,2739,2739,Aztreonam is a beta-lactam antibiotic used to treat select aztreonam sensitive gram negative bacteria.,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O,,Lifitegrast,DB01883
2740,2740,2740,"Volixibat, also known as SHP626 or LUM002, is an investigational drug that will potentially be used for the treatment of Non-Alcoholic Steatohepatitis (NASH). If approved for use, it will be the first available agent for the treatment of NASH.",[H][C@@]1([C@@H](O)[C@](CC)(CCCC)CS(=O)(=O)C2=CC=C(C=C12)N(C)C)C1=CC=CC(NC(=O)N[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](OCC3=CC=CC=C3)[C@H]2O)=C1,,Tipranavir,DB16390
2741,2741,2741,(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is a solid. This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. (1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid is known to target interleukin-2.,[H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2,,(S)-Indapamide,DB07826
2742,2742,2742,Not Available,CC(=O)C1=CC=CC=C1,,"2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL",DB09282
2743,2743,2743,"Minaprine is a psychotropic drug which has proved to be effective in the treatment of various depressive states. Like most antidepressants minaprine antagonizes behavioral despair. Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain.",CC1=CC(=NN=C1NCCN1CCOCC1)C1=CC=CC=C1,,"2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE",DB08446
2744,2744,2744,Not Available,[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CCCOC2=CC=CC=C2)[C@@]1([H])O)C(O)=O,,1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea,DB09488
2745,2745,2745,Etoposide is a podophyllotoxin derivative used to treat testicular and small cell lung tumors.,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@@H]1O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O,,Trifarotene,DB09122
2746,2746,2746,Fostemsavir is an antiretroviral HIV-1 attachment inhibitor targeted against the gp120 subunit within the HIV-1 gp160 envelope glycoprotein.,COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2COP(O)(O)=O)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1,,Methyl (2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate,DB03453
2747,2747,2747,Not Available,C=CCNC1=CC=CC=C1,,Ethinylestradiol,DB02076
2748,2748,2748,Not Available,FC(F)(F)C1=NC(=N)C(=C)C=N1,,Aldosterone,DB01888
2749,2749,2749,Not Available,OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O,,(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,DB00474
2750,2750,2750,Not Available,OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=C2)C=C1,,Tetra(Imidazole)Diaquacopper (Ii),DB00162
2751,2751,2751,"Dimenhydrinate is a medication used to prevent and treat nausea, vomiting, vertigo, and motion sickness.",CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,,(4s)-5-Fluoro-L-Leucine,DB11273
2752,2752,2752,Not Available,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]([H])(S)CC1=CC=CC=C1)C(O)=O,,AMG-222,DB06550
2753,2753,2753,Not Available,[H]N([C@H](CCC(=O)OCC)C[C@@H]1CCN([H])C1=O)C(=O)[C@H](CC(=O)[C@@H](N([H])C(=O)C1=NOC(C)=C1)C(C)C)CC1=CC=C(F)C=C1,,Panobinostat,DB09214
2754,2754,2754,Not Available,CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1,,Loratadine,DB06998
2755,2755,2755,Amifostine is a cytoprotective adjuvant used for reduction in the cumulative renal toxicity in patients with ovarian cancer and moderate to severe xerostomia in patients undergoing post-operative radiation treatment for head and neck cancer.,NCCCNCCSP(O)(O)=O,,(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid,DB02658
2756,2756,2756,Not Available,[H][C@@](N)(C(O)=O)[C@@]([H])(O)OS(O)(=O)=O,,Cyclohexyl-Hexyl-Beta-D-Maltoside,DB07813
2757,2757,2757,Cilansetron is a 5HT-3 antagonist made by Solvay Pharmaceuticals that is currently under trial phase in the EU and US.,CC1=NC=CN1C[C@H]1CCC2=C(C3=CC=CC4=C3N2CCC4)C1=O,,Amsacrine,DB03103
2758,2758,2758,Amcinonide is a topical corticosteroid used in the treatment of inflammation and pruritus due to a variety of dermatoses.,[H][C@@]12C[C@H]3OC4(CCCC4)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Cetrimonium,DB03187
2759,2759,2759,Not Available,[H][C@@](CC1=CC=CC=C1)(C(O)=O)[C@]([H])(CC1=CC2=C(OCO2)C=C1)C(O)=O,,Propylthiouracil,DB08509
2760,2760,2760,Decamethonium is used in anesthesia to cause paralysis. It is a short acting depolarizing muscle relaxant. It is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor.,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,,Milataxel,DB00119
2761,2761,2761,Trinitrotoluene is an explosive chemical that can cause skin irritation and other toxic consequences.,CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,,"tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate",DB07893
2762,2762,2762,Glipizide is a sulfonylurea medication used in Type 2 Diabetes to sensitize pancreatic beta cells and stimulate insulin release.,CC1=NC=C(N=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,,Picolinic acid,DB06267
2763,2763,2763,"Peginterferon alfa-2b is a purified form of human interferon used to stimulate the innate antiviral response in the treatment of hepatitis B and C, genital warts, and some cancers.",,CDLPQTHSLGSRRTLMLLAQMRRISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,Repaglinide,DB03490
2764,2764,2764,Not Available,C[C@@H](NC(=O)CC1=C(Cl)C=C\C(=N/CC(F)(F)C2=CC=CC=[N+]2[O-])N1O)C1=CC(Cl)=CC=C1,,TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE,DB02111
2765,2765,2765,Prazepam is a benzodiazepine used to manage more severe forms of anxiety disorders.,ClC1=CC2=C(C=C1)N(CC1CC1)C(=O)CN=C2C1=CC=CC=C1,,"3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl)ethyl]-1H-indol-3-yl}-1H-pyrrole-2,5-dione",DB06240
2766,2766,2766,Acamprosate is a medication used to maintain alcohol abstinence in patients with alcohol dependence.,CC(=O)NCCCS(O)(=O)=O,,Arachidonic Acid,DB11781
2767,2767,2767,"OMS103HP is the first drug being developed to improve joint function following arthroscopic surgery, one of the most common procedures performed today by orthopedic surgeons.",,,Ephedrine,DB07328
2768,2768,2768,Not Available,NC1=NC2=NC(N)=C(C=C2C=N1)C1=C(Br)C=CC=C1Br,,"3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide",DB08493
2769,2769,2769,Not Available,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1=CC=C(C=C1)S(N)(=O)=O,,Atorvastatin,DB02765
2770,2770,2770,"KIN-3248 is a small molecule that targets and inhibits oncogenic fibroblast growth factor receptors (FGFRs). It was designed to mainly target FGFR2 and FGFR3 alterations, which act as oncogenic drivers in 10-20% of cholangiocarcinoma and 20-35% of urothelial cancers, respectively.1 While effective, disease progression may occur 6 to 8 months after treatment with currently approved FGFR inhibitors is started, and this effect is usually associated with on-target resistance mutations in the kinase domain of FGFR. Therefore, the broad inhibition of FGFR isoforms may be effective against different types of tumors.1,5 The safety, tolerability, pharmacokinetics, and preliminary efficacy of KIN-3248 are currently being evaluated in adults with advanced tumors harboring FGFR2 and/or FGFR3 gene alterations.3 In February 2023, Kinnate Biopharma received Fast Track designation from the FDA for KIN-3248 to treat unresectable, locally advanced or metastatic cholangiocarcinoma (CCA).4",,,Emicizumab,DB00175
2771,2771,2771,Not Available,COC1=C(C)C(C)=C(C(C)=C1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC1=CC=C(C=C1)C(N)=N)C(=O)N1CCCCC1,,Guvacine,DB01043
2772,2772,2772,"Tropifexor is under investigation in clinical trial NCT02516605 (A Multi-part, Double Blind Study to Assess Safety, Tolerability and Efficacy of Tropifexor (LJN452) in PBC Patients).",OC(=O)C1=CC(F)=C2N=C(SC2=C1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1=C(ON=C1C1=C(OC(F)(F)F)C=CC=C1)C1CC1,,(2S)-2-(1H-indol-3-yl)hexanoic acid,DB08196
2773,2773,2773,Not Available,O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O,,5'-Guanylylmethylenebisphosphonate,DB03575
2774,2774,2774,Not Available,CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO,,Adavosertib,DB00572
2775,2775,2775,"Briakinumab is a human anti-IL-12 monoclonal antibody being developed for the treatment of a number of T-cell driven autoimmune diseases. It targets and neutralize interleukin-12 and interleukin-23, two proteins associated with inflammation, such as pro-inflammatory interleukins or tumor necrosis factor- alpha. Briakinumab represents a novel approach to treating psoriasis, Multiple Sclerosis, Crohn’s Disease and other autoimmune and inflammatory disorders. As of 2011 drug development for psoriasis has been discontinued in the U.S. and Europe.",,MEPLVTWVVPLLFLFLLSRQGAACRTSECCFQDPPYPDADSGSASGPRDLRCYRISSDRYECSWQYEGPTAGVSHFLRCCLSSGRCCYFAAGSATRLQFSDQAGVSVLYTVTLWVESWARNQTEKSPEVTLQLYNSVKYEPPLGDIKVSKLAGQLRMEWETPDNQVGAEVQFRHRTPSSPWKLGDCGPQDDDTESCLCPLEMNVAQEFQLRRRQLGSQGSSWSKWSSPVCVPPENPPQPQVRFSVEQLGQDGRRRLTLKEQPTQLELPEGCQGLAPGTEVTYRLQLHMLSCPCKAKATRTLHLGKMPYLSGAAYNVAVISSNQFGPGLNQTWHIPADTHTEPVALNISVGTNGTTMYWPARAQSMTYCIEWQPVGQDGGLATCSLTAPQDPDPAGMATYSWSRESGAMGQEKCYYITIFASAHPEKLTLWSTVLSTYHFGGNASAAGTPHHVSVKNHSLDSVSVDWAPSLLSTCPGVLKEYVVRCRDEDSKQVSEHPVQPTETQVTLSGLRAGVAYTVQVRADTAWLRGVWSQPQRFSIEVQVSDWLIFFASLGSFLSILLVGVLGYLGLNRAARHLCPPLPTPCASSAIEFPGGKETWQWINPVDFQEEASLQEALVVEMSWDKGERTEPLEKTELPEGAPELALDTELSLEDGDRCKAKM,3-Nitrophenylboronic Acid,DB06959
2776,2776,2776,Not Available,CC(C)C[C@H](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N,,4R-Fluoro-N6-ethanimidoyl-L-lysine,DB06909
2777,2777,2777,Not Available,NCCC1=CC=C(C=C1)S(N)(=O)=O,,Ketotifen,DB02950
2778,2778,2778,"CTA018 is a member of a new class of vitamin D analogues with a dual mechanism of action, called Vitamin D Signal Amplifiers. This proprietary new drug is both a potent inhibitor of CYP24 (the enzyme responsible for the breakdown of vitamin D) and a potent activator of vitamin D signaling pathways. CTA018 will be the first drug with this novel dual mechanism of action to enter clinical development. Preclinical studies have shown that CTA018 inhibits the proliferation of rapidly dividing cells such as human epidermal keratinocytes (skin cells) and is also effective in inhibiting pro-inflammatory cytokine secretion which may be involved in the etiology of psoriasis. Cytochroma anticipates that CTA018 will be more potent than currently marketed vitamin D analogues such as calcitriol and calcipotriol and it is expected to have a greater safety index.",,,Acarbose Derived Hexasaccharide,DB00837
2779,2779,2779,Not Available,NC1=NC2=NC=C(COP(O)(O)=O)N=C2C(=O)N1,,Phosphorylcolamine,DB00192
2780,2780,2780,Otlertuzumab is under investigation in clinical trial NCT01188681 (Safety and Efficacy Study of TRU-016 Plus Bendamustine vs. Bendamustine in Relapsed Chronic Lymphocytic Leukemia).,,,5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID,DB05442
2781,2781,2781,Not Available,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,"1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine",DB02379
2782,2782,2782,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=C(SC)N=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O,,Estradiol acetate,DB07522
2783,2783,2783,"Cisplatin is a platinum based chemotherapy agent used to treat various sarcomas, carcinomas, lymphomas, and germ cell tumors.",[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H],,Ramosetron,DB06162
2784,2784,2784,Not Available,OC1=CC=C(C=C1)C1=CC2=C(O1)C=CC(O)=C2,,Tetrabromo-2-Benzotriazole,DB09126
2785,2785,2785,ORE1001 has been used in trials studying the treatment of Mild to Moderate Ulcerative Colitis. It is an ACE2 inhibitor.,CC(C)C[C@H](N[C@@H](CC1=CN=CN1CC1=CC(Cl)=CC(Cl)=C1)C(O)=O)C(O)=O,,Cytisine,DB08495
2786,2786,2786,Not Available,CC1=CNC(\C=C2/C(=O)NC3=CC=CC=C23)=C1CCC(O)=O,,Apigenin,DB03783
2787,2787,2787,Ivarmacitinib is a selective JAK1 inhibitor under investigation for the treatment of immuno-inflammatory diseases.,[H][C@@]12C[C@H](C[C@]1([H])CN(C2)C(=O)NC1=NC(OC)=NS1)N(C)C1=NC=NC2=C1C=CN2,,Dalteparin,DB04840
2788,2788,2788,"A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic. [PubChem]",C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,,OPC-14523,DB02837
2789,2789,2789,Deflazacort is a corticosteroid used to treat Duchenne muscular dystrophy.,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@]([H])(O)C[C@]3(C)[C@@]1(N=C(C)O2)C(=O)COC(C)=O,,Dihydroorotic Acid,DB00430
2790,2790,2790,Not Available,CCCCP(O)(O)=O,,4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION,DB04863
2791,2791,2791,Loratadine is a second generation antihistamine used to manage the symptoms of allergic rhinitis.,CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2,,Oxetacaine,DB00616
2792,2792,2792,Atomoxetine is a selective norepinephrine reuptake inhibitor (SNRI) used in the management of Attention Deficit Hyperactivity Disorder (ADHD).,CNCC[C@@H](OC1=CC=CC=C1C)C1=CC=CC=C1,,Fluvastatin,DB11300
2793,2793,2793,"Reteplase is a purified form of human tissue plasminogen activator used in the emergency treatment of myocardial infarction, ischemic stroke, and pulmonary emboli.",,SYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP,Nz-(Dicarboxymethyl)Lysine,DB02384
2794,2794,2794,Not Available,[H][C@](C)(CC1CC1)C=O,,"(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE",DB02314
2795,2795,2795,Not Available,[H][C@]1(CC#N)CC[C@@]2([H])[C@]3([H])CCC4=CC(OS(N)(=O)=O)=C(OC)C=C4[C@@]3([H])CC[C@]12C,,N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide,DB00284
2796,2796,2796,Isatuximab is a chimeric monoclonal antibody targeted against surface CD38 glycoproteins for the treatment of multiple myeloma in patients who have failed previous therapies.,,,"(5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL",DB04213
2797,2797,2797,Ribavirin is a guanosine nucleoside used to treat some forms of Hepatitis C.,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,"4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE",DB02977
2798,2798,2798,"Lonidamine (LND) is a drug that interferes with energy metabolism of cancer cells, principally inhibiting aerobic glycolytic activity, by its effect on mitochondrially-bound hexokinase (HK). In such way LND could impair energy-requiring processes, as recovery from potentially lethal damage, induced by radiation treatment and by some cytotoxic drugs.",OC(=O)C1=NN(CC2=C(Cl)C=C(Cl)C=C2)C2=C1C=CC=C2,,Norelgestromin,DB05710
2799,2799,2799,Not Available,FC1=CC=CC=C1C(=O)NC1=C(C#N)C2=C(CCCC2)S1,,6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE,DB03003
2800,2800,2800,"Ebselen has been investigated for the treatment and basic science of Meniere's Disease, Type 2 Diabetes Mellitus, and Type 1 Diabetes Mellitus.",O=C1N([Se]C2=CC=CC=C12)C1=CC=CC=C1,,"4-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Butyricacid",DB04452
2801,2801,2801,Not Available,N1N=C(C2=NC3=CC=CC=C3N2)C2=C1C=CC=C2,,FX06,DB08659
2802,2802,2802,Not Available,[H][C@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC(Cl)=CC(N)=C2)=N1)C(C)C,,"5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine",DB07526
2803,2803,2803,Not Available,CC1=NN(C(O)=C1\N=N\C1=CC(=CC=C1C(O)=O)S(O)(=O)=O)C1=C(C)C=C(C=C1)S(O)(=O)=O,,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-ureido]-N-methyl-3-phenyl-propionamide",DB06844
2804,2804,2804,"Rociverine is an antispasmodic indicated in the treatment of urinary, gastrointestinal, and biliary tract spasms.",CCN(CC)CC(C)OC(=O)[C@H]1CCCC[C@]1(O)C1CCCCC1,,Metamfetamine,DB08275
2805,2805,2805,"Cabozantinib is a tyrosine kinase inhibitor used to treat advanced renal cell carcinoma, hepatocellular carcinoma, and medullary thyroid cancer.",COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2,,3'-deoxy-3'-aminothymidine monophosphate,DB13520
2806,2806,2806,Not Available,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O,,"Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester",DB03701
2807,2807,2807,Not Available,,,(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE,DB01204
2808,2808,2808,Not Available,OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C2=CC=CN=C12,,4-phospho-L-threonic acid,DB02867
2809,2809,2809,Nonacog beta pegol is a recombinant coagulation Factor IX derivative used to treat hemophilia B.,,,"2-Butyl-5,6-Dihydro-1h-Imidazo[4,5-D]Pyridazine-4,7-Dione",DB01646
2810,2810,2810,Ligandrol is an investigational selective androgen receptor modulator (SARM) for treatment of conditions such as muscle wasting and osteoporosis.,O[C@H]([C@H]1CCCN1C1=CC=C(C#N)C(=C1)C(F)(F)F)C(F)(F)F,,"(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL",DB04693
2811,2811,2811,"Entinostat is under investigation for the treatment and other of Volunteers, Breast Cancer, Human Volunteers, and Normal Volunteers. Entinostat has been investigated for the treatment of Non-Small Lung Cancer, Epigenetic Therapy.",NC1=CC=CC=C1NC(=O)C1=CC=C(CNC(=O)OCC2=CN=CC=C2)C=C1,,1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE,DB07749
2812,2812,2812,Not Available,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C,,"(3s)-3-Amino-1-(Cyclopropylamino)Heptane-2,2-Diol",DB07203
2813,2813,2813,Temsirolimus is a antineoplastic agent used in the treatment of renal cell carcinoma (RCC) that works by inhibiting mTOR.,OCC(C)(CO)C(=O)O[C@@H]1CC[C@@H](C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](OC)C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)C[C@H]1OC,,Methoxamine,DB09472
2814,2814,2814,Not Available,CC(C)(C)C1=NN(C(NC(=O)NC2=C3C=CC=CC3=CC=C2)=C1)C1=CC=CC(N)=C1,,4-hydroxybutan-2-one,DB02183
2815,2815,2815,Not Available,[H][C@@](CCCC1=CC=CC(OC2=CC=CC=C2)=C1)(P(O)(O)=O)S(O)(=O)=O,,Misoprostol,DB02270
2816,2816,2816,Not Available,N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O,,"6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE",DB07342
2817,2817,2817,Not Available,CC1=NC=C(COP(O)(O)=O)C(CNC(C)(C)C(O)=O)=C1O,,Mycophenolic acid,DB08578
2818,2818,2818,Not Available,[H]N(CCCCOC1=CC=CC(O)=C1C(=O)OC)C(=O)[C@H](CC1=CC=C(C=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O)N([H])C(=O)OCC=C,,Sulfacytine,DB02730
2819,2819,2819,Not Available,CC1=CC(=CC(C)=C1OC1=C(Br)C(CO)=NC(NC2=CC=C(C=C2)C#N)=N1)C#N,,beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide,DB05668
2820,2820,2820,Fusidic acid is a topical antibacterial agent used to prevent and treat mild to moderate skin infections caused by susceptible bacteria.,[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](OC(C)=O)\C2=C(\CCC=C(C)C)C(O)=O,,Viloxazine,DB08479
2821,2821,2821,NADH is a nutrient used in some supplement products.,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O,,8-Bromo-Adenosine-5'-Monophosphate,DB15283
2822,2822,2822,Not Available,[H][C@@](N)(C1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=C(OCC(=O)NCC)C=CC(Cl)=C1,,Trimebutine,DB07193
2823,2823,2823,Not Available,OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,,"(5S,8R,9S,10S,13R,14S,17S)-13-{2-[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-17-HYDROXY-10-METHYLHEXADECAHYDRO-3H-CYCLOPENTA[A]PHENANTHREN-3-ONE",DB03232
2824,2824,2824,Dimetindene is a 1st generation selective H1 antagonist used topically as an antipruritic and orally to treat allergies.,CC(C1=C(CCN(C)C)CC2=CC=CC=C12)C1=CC=CC=N1,,Methoxy arachidonyl fluorophosphonate,DB14071
2825,2825,2825,Not Available,CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1,,Anistreplase,DB08960
2826,2826,2826,"Didesmethylrocaglamide is a naturally-occurring derivative of rocaglamide and belongs to a class of anti-cancer phytochemicals referred to as ""rocaglamides"" derived from plants of the genus Aglaia.1 While traditionally used for their insecticidal benefits,7 this class of compounds is now being studied for use as chemotherapeutic agents in the treatment of various leukemias, lymphomas, and carcinomas.2,4,5,6 Of the known derivatives of rocaglamide, didesmethylrocaglamide appears to carry the most potent anti-tumour activity.2,3",COC1=CC=C(C=C1)[C@@]12OC3=CC(OC)=CC(OC)=C3[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(N)=O,,Tamatinib,DB12118
2827,2827,2827,Not Available,CC(C)(C)C1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O,,"5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE",DB15900
2828,2828,2828,"ABT-089 is a neuronal nicotinic acetylcholine receptor agonist that may have therapeutic utility for the treatment of several neurological disorders including Alzheimer, Attention Deficit Hyperactivity Disorder and Schizophrenia/Schizoaffective disorders. In radioligand binding studies, ABT-089 has shown selectivity toward the alpha4beta2 nAChR subtype as compared to the alpha7 and alpha1beta1deltagamma nAChR subtypes. Neuronal nicotinic acetylcholine receptors (nAChRs) modulate the release of several important neurotransmitters, such as acetylcholine and dopamine.",CC1=C(OC[C@@H]2CCCN2)C=CC=N1,,Deoxyuridine-5'-Triphosphate,DB01922
2829,2829,2829,Cholic Acid is a bile acid used for the treatment of bile acid synthesis disorders due to single enzyme defects and as an adjunctive treatment of peroxisomal disorders with disrupted liver function.,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C,,Mimosine,DB07994
2830,2830,2830,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)[C@@]2([H])O[P@](O)(=S)O[C@@]12[H],,Levodopa,DB08747
2831,2831,2831,Zanamivir is a neuraminidase inhibitor used to treat influenza A and B.,[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,,Ribose-5-phosphate,DB04698
2832,2832,2832,Not Available,OP(O)(=O)C(C1=CC=CC=C1)P(O)(O)=O,,Zafirlukast,DB03669
2833,2833,2833,"Nitrilotriacetic acid is a derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)",OC(=O)CN(CC(O)=O)CC(O)=O,,7-(aminomethyl)-6-(2-chlorophenyl)-1-methyl-1H-benzimidazole-5-carbonitrile,DB02036
2834,2834,2834,Not Available,CN1N=C(C=C1NS(O)(=O)=O)C1=CC=CC=C1,,Mobocertinib,DB09072
2835,2835,2835,Cilostazol is an antiplatelet agent and vasodilator used for the symptomatic relief of intermittent claudication.,O=C1CCC2=C(N1)C=CC(OCCCCC1=NN=NN1C1CCCCC1)=C2,,O-Decyl Hydrogen Thiocarbonate,DB02858
2836,2836,2836,Equine Botulinum Neurotoxin A Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE,DB04779
2837,2837,2837,Tetanus immune globulin is a solution of antibodies used to prevent tetanus after an injury.,,EVQLVESGGGVVQPGRSLRLSCAASGFTFNNYAIHWVRQAPGKGLEWVAFISYDGSKNYYADSVKGRFTISRDNSKNTLFLQMNSLRPEDTAIYYCARVLFQQLVLYAPFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPQPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC,Felodipine,DB01880
2838,2838,2838,Not Available,[H][C@@](N)(COC1=CN=CC(=C1)C1=NCC2=NN=CC2=C1)CC1=C2C=CCC=C2N=C1,,Sulfisoxazole,DB09086
2839,2839,2839,Not Available,[H]N([H])C(=O)[C@@H]1C[C@@]2(N([H])C(=O)N([H])C2=O)C2=C(O1)C=CC(F)=C2,,"DIMETHYL-(4,5,6,7-TETRABROMO-1H-BENZOIMIDAZOL-2-YL)-AMINE",DB01753
2840,2840,2840,Not Available,CC(C)(C)C(=O)OC1=CC=C2N(CCCO)C(NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)=NC2=C1,,Eslicarbazepine,DB04158
2841,2841,2841,"Mirococept (APT070) is a complement inhibitor currently under development for treatment of rheumatoid arthritis and I/RI. It is a truncated form of the human Complement Receptor 1 (CR1) linked to a unique Prodaptin™ construct that regulates the over-production of complement at the cell surface, which occurs in inflammation. It consists of the first three short consensus domains of human complement receptor 1 (CR1), manufactured in recombinant bacteria and modified with a membrane-targeting amphiphilic peptide based on the naturally occurring membrane-bound myristoyl-electrostatic switch peptide.",,,Apadenoson,DB07671
2842,2842,2842,Codeine is an opioid analgesic used to treat moderate to severe pain when the use of an opioid is indicated.,[H][C@]12C=C[C@H](O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4OC,,Acetophenazine,DB03843
2843,2843,2843,Not Available,CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,,N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide,DB08527
2844,2844,2844,Not Available,CO[C@@H]1[C@H](O)O[C@@H](C)[C@@H](O)[C@H]1O,,4-(2-aminoethyl)-2-cyclohexylphenol,DB07686
2845,2845,2845,"Used in the treatment of cancer, Marmiastat is an angiogenesis and metastasis inhibitor. As an angiogenesis inhibitor it limits the growth and production of blood vessels. As an antimetatstatic agent it prevents malignant cells from breaching the basement membranes.",CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,,Arbutin,DB03376
2846,2846,2846,"Auranofin is an antirheumatic used to treat active, progressive, or destructive forms of inflammatory arthritis.",CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,,Daidzin,DB02888
2847,2847,2847,Not Available,[H][C@]12C[C@](O)(C(=O)OC)[C@](C)(O1)N1C3=C(C=CC=C3)C3=C4CNC(=O)C4=C4C5=CC=CC=C5N2C4=C13,,Flucytosine,DB08904
2848,2848,2848,Not Available,CC(C)C1=C(SC2=CC(Cl)=CC(Cl)=C2)N(CC2=CC=NC=C2)C(COC(N)=O)=N1,,Insulin glulisine,DB01241
2849,2849,2849,Not Available,[H][C@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=CC(=C1)C1=C(C)C=CC=C1C,,Ceforanide,DB04469
2850,2850,2850,Edotreotide gallium Ga-68 is a radioactive diagnostic agent used in PET scans for somatostatin receptor positive neuroendocrine tumors in adult and pediatric patients.,[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1,,Hymecromone,DB07074
2851,2851,2851,Mivacurium is a short-acting non-depolarizing neuromuscular blocking agent used to induce anesthesia during intubation and promote skeletal muscle relaxation during surgery or mechanical ventilation.,COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CC\C=C\CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,,Moxonidine,DB02674
2852,2852,2852,Not Available,NCC1(CCCC1)C1=CC=CC=C1,,N-[(6S)-6-Carboxy-6-(glycylamino)hexanoyl]-D-alanyl-D-alanine,DB03191
2853,2853,2853,Pyrantel is an anthelmintic used to treat helminth infections.,[H]\C(=C(\[H])C1=NCCCN1C)C1=CC=CS1,,"2',3'-dideoxy-3'-fluoro-urididine-5'-diphosphate",DB01092
2854,2854,2854,Not Available,CC1=C(Cl)C(NCCC2=CC=CC=C2)=NC(=N1)C1=NC=CC=C1,,"3,4-dimethylaniline",DB06016
2855,2855,2855,Not Available,[H][C@@](CCC(O)=O)(NCC1=C(COP(O)(O)=O)C=[NH+]C(C)=C1O)C(O)=O,,Nylidrin,DB17493
2856,2856,2856,An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6),N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O,,Tonapofylline,DB01172
2857,2857,2857,Not Available,[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)C[C@@](C)(O)CC([O-])=O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O,,"5,10-Methylene-6-Hydrofolic Acid",DB02646
2858,2858,2858,Gepirone is a serotonin receptor agonist used to treat major depressive disorder in adults,CC1(C)CC(=O)N(CCCCN2CCN(CC2)C2=NC=CC=N2)C(=O)C1,,4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID,DB07090
2859,2859,2859,Protokylol is a β-adrenergic receptor agonist used as a bronchodilator in Europe and the United States.,CC(CC1=CC=C2OCOC2=C1)NCC(O)C1=CC=C(O)C(O)=C1,,Aclidinium,DB06922
2860,2860,2860,"MK-4721 is a fully human monoclonal antibody directed to Agensys’ proprietary target Prostate Stem Cell Antigen (PSCA), an antigen expressed at significant levels on tumor cells from the majority of patients with all stages of prostate, pancreatic and bladder cancers.",,,Medrysone,DB06835
2861,2861,2861,Not Available,[H][C@@](C)(CC[C@]([H])(N)[C@]([H])(C)C(O)=O)C[C@]([H])(C)[C@]([H])(CC1=CC=CC=C1)OC,,Biotin,DB02427
2862,2862,2862,Not Available,O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,,"1,6-DI-O-PHOSPHONO-D-MANNITOL",DB06814
2863,2863,2863,5-imino-4-(3-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine is a solid. This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This drug targets the protein methionine aminopeptidase.,FC(F)(F)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1,,"5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-6-ETHYLPYRIMIDINE-2,4-DIAMINE",DB14499
2864,2864,2864,Not Available,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=CC=C1,,SD146,DB02032
2865,2865,2865,Not Available,CC1=CC=CC2=C1N=C(CCCN1CCC(=CC1)C1=CC=C(F)C=C1)NC2=O,,Carfentanil,DB03842
2866,2866,2866,Not Available,OS(=O)(=O)C1=CC2=CC=CC=C2C=C1,,4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile,DB01703
2867,2867,2867,Not Available,COC1=CC(\C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1,,Armodafinil,DB07719
2868,2868,2868,Grazoprevir is an antiviral and NS3/4A protease inhibitor used to treat hepatitis C infections.,COC1=CC2=NC3=C(CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C4CC4)O3)C(C)(C)C)N=C2C=C1,,Caffeine,DB02580
2869,2869,2869,Vilazodone is an antidepressant agent used for the treatment of major depressive disorder that targets the 5-HT transporter and 5-HT1A receptors.,NC(=O)C1=CC2=CC(=CC=C2O1)N1CCN(CCCCC2=CNC3=C2C=C(C=C3)C#N)CC1,,N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE,DB02061
2870,2870,2870,Vamorolone is a synthetic glucocorticoid used as an anti-inflammatory and immunosuppressant in the management of Duchenne muscular dystrophy (DMD).,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO,,6-O-Phosphoryl Inosine Monophosphate,DB01138
2871,2871,2871,Not Available,CCCC[C@]12CC3=CC(O)=CC=C3C1=C(Br)C(=O)CC2,,Thenoyltrifluoroacetone,DB15635
2872,2872,2872,Not Available,CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O,,Serotonin,DB06075
2873,2873,2873,Spectinomycin is an aminocyclitol antibiotic used to treat susceptible strains of Neisseria gonorrhoeae.,[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2,,(5R)-5-{[(2-Amino-3H-purin-6-yl)oxy]methyl}-2-pyrrolidinone,DB00550
2874,2874,2874,Not Available,[H][C@]1(CCN(C1)C1=NC=NC2=CC(OC)=C(OC)C=C12)OC1=CC2=CC=CC=C2C=C1,,2-Oxo-3-Pentenoic Acid,DB00571
2875,2875,2875,Not Available,N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O,,Olmutinib,DB04436
2876,2876,2876,Not Available,CC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,,"(1R,2R,3S,4R,6S)-3,4,6-Trihydroxy-5-{[(S)-hydroxy(3-hydroxy-2-oxopropoxy)phosphoryl]oxy}-1,2-cyclohexanediyl bis[dihydrogen (phosphate)]",DB12307
2877,2877,2877,"Sinefungin is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. The proteins that adenosyl-ornithine target include RdmB, modification methylase TaqI, rRNA (adenine-N6-)-methyltransferase, and modification methylase RsrI.",[H][C@](N)(CC[C@]([H])(N)C(O)=O)C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,m-Hydroxyhippuric acid,DB05749
2878,2878,2878,Crotalus adamanteus antivenin is a mixture of antibodies used to treat venomous snake bites from Crotalus adamanteus (Eastern Diamondback rattlesnake).,,,beta-D-Galactopyranuronic acid,DB04263
2879,2879,2879,Not Available,[Al+3].[O-]P([O-])([O-])=O,,"BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE",DB02599
2880,2880,2880,A P2Y12 inhibitor and platelet aggregation inhibitor.,CNC1=C(F)C=C2C(NC(=O)N(C2=O)C2=CC=C(NC(=O)NS(=O)(=O)C3=CC=C(Cl)S3)C=C2)=C1,,"3-Phenyl-1,2-Propandiol",DB08369
2881,2881,2881,Not Available,CN(CC1=CN(C)C2=CC=CC=C12)C(=O)\C=C\C1=CN=C2NC(=O)CCC2=C1,,Crisaborole,DB02463
2882,2882,2882,Not Available,CC1CNCCN1S(=O)(=O)C1=C2C=CN=CC2=CC=C1,,Terfenadine,DB02420
2883,2883,2883,Not Available,[H][C@](NC(=O)CN1C(=O)C(NS(=O)(=O)NC)=CC=C1C1=CC=CC=C1)(C(C)C)C(=O)C(F)(F)F,,N-[Isoleucinyl]-N'-[adenosyl]-diaminosufone,DB09016
2884,2884,2884,"EP-2104R is an imaging pharmaceutical under development for the detection of blood clots. It is the first targeted high-resolution technique designed to visualize blood clots directly. It is being developed by EPIX Pharmaceuticals, Inc.",,,Antithrombin III human,DB04676
2885,2885,2885,Not Available,CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(CCC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4C)/C(CCC(O)=O)=C3C,,Fruquintinib,DB07984
2886,2886,2886,Coenzyme A persulfide is a possible in vivo inhibitor of mammalian short chain acyl-CoA dehydrogenase.,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSS)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,"3,5-Difluorobenzenesulfonamide",DB07460
2887,2887,2887,Not Available,CC1=CC=CC(C[C@H](N)C(O)=O)=C1,,Iniparib,DB07958
2888,2888,2888,"1-Dodecanol is a saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)",CCCCCCCCCCCCO,,(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE,DB02512
2889,2889,2889,"Bromhexine is a mucolytic drug used to decrease the viscosity of mucus in the airway, enhancing mucus clearance.",CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1,,Ciltacabtagene autoleucel,DB08137
2890,2890,2890,Palivizumab is a monoclonal anti respiratory syncytial virus F protein antibody used to prevent serious sequelae caused by respiratory syncytial virus infection in pediatric patients.,,QVTLRESGPALVKPTQTLTLTCTFSGFSLSTSGMSVGWIRQPPGKALEWLADIWWDDKKDYNPSLKSRLTISKDTSKNQVVLKVTNMDPADTATYYCARSMITNWYFDVWGAGTTVTVSS,Potassium perchlorate,DB05012
2891,2891,2891,5-Aminoimidazole-4-carboxamide ribonucleotide (AICAR) is an intermediate in the generation of inosine monophosphate and analog of adenosine monophosphate (AMP) that is capable of stimulating AMP-dependent protein kinase (AMPK) activity. AICAR has been used clinically to treat and protect against cardiac ischemic injury. The drug was first used in the 1980s as a method to preserve blood flow to the heart during surgery and is currently of interest as a potential treatment for diabetes by increasing the metabolic activity of tissues by changing the physical composition of muscle.,NC(=O)C1=C(N)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,"3,3',5,5'-tetrachlorobiphenyl-4,4'-diol",DB00333
2892,2892,2892,Not Available,[H][C@](CC(C)C)(NS(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE",DB03606
2893,2893,2893,Orotic acid is a drug used to manage uncomplicated liver dysfunction in combination with xanthine.,OC(=O)C1=CC(=O)NC(=O)N1,,Oxybuprocaine,DB08372
2894,2894,2894,Not Available,OC(=O)CC[C@H](NC(=O)N[C@@H](CSCC1=CC=C(F)C=C1)C(O)=O)C(O)=O,,Conjugated estrogens,DB00209
2895,2895,2895,Carbon monoxide is a gas used as a marker of respiratory status in spirometry tests.,[C-]#[O+],,"[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate",DB06702
2896,2896,2896,Not Available,[H][C@@](CS(=O)(=O)CC1=C(OC(F)F)C=CC=C1)(OC(=O)N1CCOCC1)C(=O)NCC#N,,3-[4-(1-formylpiperazin-4-yl)-benzylidenyl]-2-indolinone,DB00324
2897,2897,2897,"Lexacalcitol is a solid. This compound belongs to the vitamin D and derivatives class of chemicals. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. It is known to target the vitamin D3 receptor.",[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)OCCCC(O)(CC)CC,,Bimatoprost,DB02569
2898,2898,2898,"An indandione that has been used as an anticoagulant. Phenindione has actions similar to warfarin, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)",O=C1C(C(=O)C2=CC=CC=C12)C1=CC=CC=C1,,Mitiglinide,DB11799
2899,2899,2899,Ethanolamine oleate is a mild sclerosing agent used in the treatment of esophageal varices with recent bleeding episodes.,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O,,"(9R,10R)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",DB01987
2900,2900,2900,Tioconazole is an imidazole antifungal used to treat vulvovaginal candidiasis.,ClC1=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=CS1,,(South)-Methanocarba-Thymidine,DB02307
2901,2901,2901,Isosorbide mononitrate is a nitrate used to prevent and treat angina and to treat angina caused by coronary artery disease.,[H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O,,(Carboxyhydroxyamino)Ethanoic Acid,DB06694
2902,2902,2902,Tetracosactide is a diagnostic agent used in the screening of patients presumed to have adrenocortical insufficiency.,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(O)=O,,AP-22408,DB01820
2903,2903,2903,Not Available,[H][C@](CO)(NC1=NN2C(C=C1)=NC=C2C1=CC(N)=CC=C1)C(C)C,,Flumethasone,DB08693
2904,2904,2904,Magnesium levulinate is a supplement to treat magnesium deficiency.,[Mg++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,,Fostamatinib,DB04139
2905,2905,2905,Not Available,CN1C=C[NH+]=C1,,Clarithromycin,DB02072
2906,2906,2906,Not Available,ClC1=C(Cl)C(=CC=C1)C1=NC2=C(SC#N)C=NN2C(NCC2=CC=NC=C2)=C1,,"4,7-Dimethyl-[1,10]Phenanthroline",DB07205
2907,2907,2907,Not Available,[H][C@@]12CCCC[N@]1CC(=O)C1=C2N(CCCNS(=O)(=O)C(C)C)C2=C1C=CC=C2,,"(2S)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DB06928
2908,2908,2908,"Butalbital is a barbiturate drug used for symptomatic treatment of tension-type headache in various combinations with acetaminophen, aspirin, caffeine, and codeine.",CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,,Pazopanib,DB00769
2909,2909,2909,Not Available,O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,,Enalaprilat,DB00044
2910,2910,2910,Not Available,OC(=O)\C=C\C(O)=O.FC1=C(C=C(CN2CCC(CC2)NC2=C3C=C(Cl)SC3=NC=N2)C=C1)C#N,,"(8E,10S,12Z)-10-hydroxy-6-oxooctadeca-8,12-dienoic acid",DB05309
2911,2911,2911,Atorvastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and reduce the risk of cardiovascular disease including myocardial infarction and stroke.,CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1,,Choline alfoscerate,DB04652
2912,2912,2912,"SGN-30 is an engineered monoclonal antibody (mAb) that reacts with significant affinity to the CD30 antigen, which is highly expressed on a variety of hematologic malignancies as compared to on normal cells. SGN-30 has been shown to induce direct anti-cancer activity towards tumor cells expressing CD30 and is undergoing phase II trials for cancer therapy. SGN-30 has demonstrated objective antitumor responses as a single agent in phase II clinical trials. We are collaborating with the National Cancer Institute (NCI) on three clinical trials of SGN-30 in combination with chemotherapy for the treatment of relapsed Hodgkin lymphoma, front-line ALCL and pediatric ALCL.",,,Spebrutinib,DB03612
2913,2913,2913,"Turoctocog alfa pegol is a pegylated version of turoctocog alfa. Novo Nordisk's brand name Esperoct (turoctocog alfa pegol, N8-GP) was approved by the US FDA on February 19, 2019.",,,Glimepiride,DB02908
2914,2914,2914,Not Available,CN1C(CC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(NS(=O)(=O)C1=CC=CC=C1)=C2,,N-[4-(benzyloxy)phenyl]glycinamide,DB05091
2915,2915,2915,"Progabide is an analog and prodrug of gamma-aminobutyric acid. It is commonly used in the treatment of epilepsy. It has agonistic activity for both the GABAA and GABAB receptors. In clinical trials, progabide has been investigated for Parkinson's disease, schizophrenia, clinical depression and anxiety disorder; its therapeutic effectiveness in these conditions is not fully elucidated.",OC(=N)CCCN=C(C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1,,"S,S-Propylthiocysteine",DB08676
2916,2916,2916,Not Available,CN(C)C\C=C\C(=O)NC1=CC=C2N=CN=C(NC3=CC(Br)=CC=C3)C2=C1,,Icaridin,DB08235
2917,2917,2917,Not Available,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=CC=C1,,"2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID",DB11581
2918,2918,2918,Nafamostat is a synthetic serine protease inhibitor that is commonly formulated with hydrochloric acid due to its basic properties. It has been used in trials studying the prevention of Liver Transplantation and Postreperfusion Syndrome. The use of nafamostat in Asian countries is approved as an anticoagulant therapy for patients undergoing continuous renal replacement therapy due to acute kidney injury.,NC(=N)NC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(N)=N,,Mercuribenzoic Acid,DB03403
2919,2919,2919,Not Available,NC1=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=NN1C(=S)NC1=C(F)C=CC=C1F,,Aprobarbital,DB04467
2920,2920,2920,"MN-305 is a novel, potent and highly selective serotonin 5-HT1A receptor agonist under development by MediciNova for the treatment of anxiety disorders beginning with Generalized Anxiety Disorder (GAD).",Cl.C(CNC[C@H]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1,,Ethylene Dichloride,DB00625
2921,2921,2921,Not Available,C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,,"N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine",DB00758
2922,2922,2922,Not Available,[H]N([C@@H](CCCC[N+]([H])([H])[H])C(=O)N([H])[C@@H](CC1=CC=CC=C1)P(O)(=O)N([H])[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)[C@@H]1CCCN1C(=O)OCC1=CC=CC=C1,,Indirubin-5-sulphonate,DB02323
2923,2923,2923,"Dapsone is a sulfone drug used to treat acne vulgaris, Hansen's disease, and dermatitis herpetiformis.",NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(N)C=C1,,TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S,DB06218
2924,2924,2924,Gabexate is a protease inhibitor indicated in the treatment of acute pancreatitis.,CCOC(=O)C1=CC=C(OC(=O)CCCCCNC(N)=N)C=C1,,Levonordefrin,DB01732
2925,2925,2925,Tapinarof is a therapeutic aryl hydrocarbon receptor-modulating agent (TAMA) indicated for the treatment of adult psoriasis.,CC(C)C1=C(O)C=C(\C=C\C2=CC=CC=C2)C=C1O,,2-Amino-3-(Diethoxy-Phosphoryloxy)-Propionic Acid,DB03884
2926,2926,2926,"Ethoxzolamide is a sulfonamide used as diuretic and in glaucoma. It inhibits carbonic anhydrase activity in proximal renal tubules to decrease reabsorption of water, sodium, potassium, bicarbonate. Its pharmacological activity thus confers the risk for hypokalemia.",CCOC1=CC2=C(C=C1)N=C(S2)S(N)(=O)=O,,Triazolam,DB01142
2927,2927,2927,Not Available,COCCOCCOC,,Tauroursodeoxycholic acid,DB06213
2928,2928,2928,Not Available,[H][C@](CCSC)(NC(=O)CCC(O)=O)C(O)=O,,"5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE",DB07028
2929,2929,2929,Phenol is an antiseptic and disinfectant used in a variety of settings.,OC1=CC=CC=C1,,Rapacuronium,DB07806
2930,2930,2930,Not Available,NC1=NC=CC(=N1)C1=C2C=CN=C(N)N2C2=NC=CC(O)=C12,,Sumatriptan,DB03757
2931,2931,2931,Not Available,NC(CO\C(O)=N\CCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(OC4OC(CO)C(O)C(O)C4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O)CO\C(O)=N\CCCOCCOCCOCCCNC1=C(NCCCN2CCN(CCC\N=C(/O)C3=CC(=CC(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C3)[N+]([O-])=O)CC2)C(=O)C1=O,,Heparin Disaccharide I-S,DB02981
2932,2932,2932,Not Available,O=C(NCC1=NC=CC=C1)C1=CC=C(OC2=CC=CC=C2)C=C1,,Cenisertib,DB04542
2933,2933,2933,Not Available,[H][C@]1(CF)CC2=CC=C(C=C2CN1)S(=O)(=O)N1CCSCC1,,"6-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",DB02734
2934,2934,2934,,,,Testosterone undecanoate,DB07744
2935,2935,2935,Not Available,C[C@H]1CC2=C(C=CC=C2)N1NC(=O)C1=CC=C(Cl)C(=C1)S(N)(=O)=O,,(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-2-OXOETHYL MORPHOLINE-4-CARBOXYLATE,DB04483
2936,2936,2936,"Lomerizine is a diphenylmethylpiperazine calcium channel blocker3,4 with relatively selective central nervous system (CNS) effects.4
This drug is used to prophylactically treat migraines1,2 and is also being investigated against eye-related diseases that are associated with local circulatory disturbances, an example being normal-tension glaucoma.3",COC1=CC=C(CN2CCN(CC2)C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(OC)=C1OC,,"3-Amino-N-{4-[2-(2,6-Dimethyl-Phenoxy)-Acetylamino]-3-Hydroxy-1-Isobutyl-5-Phenyl-Pentyl}-Benzamide",DB07110
2937,2937,2937,Not Available,NS(=O)(=O)C1=CC=CC(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)=C1,,Florbetaben F-18,DB00394
2938,2938,2938,Not Available,[H][C@]1(CCCN1C(=O)COC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Dithioerythritol,DB08772
2939,2939,2939,Not Available,OS(=O)(=O)C1=CC2=CC=C(C=C2C=C1)S(O)(=O)=O,,Mecasermin rinfabate,DB01051
2940,2940,2940,Tyrosine is an amino acid commonly found as a component in total parenteral nutrition.,[H][C@](N)(CC1=CC=C(O)C=C1)C(O)=O,,Metharbital,DB07006
2941,2941,2941,Not Available,[H][C@]1(CO)O[C@@]([H])(SCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,"(2R)-1-[4-({6-[(2,6-Difluorophenyl)amino]-4-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DB00322
2942,2942,2942,Not Available,CCCCCCCCCCCC[N+](C)(C)C,,"5-Methoxy-1,2-Dimethyl-3-(Phenoxymethyl)Indole-4,7-Dione",DB08629
2943,2943,2943,Not Available,IC1=CC=C(NC(=O)NC2CCCCC2)C=C1,,N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]-2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}-2-PHENYLETHYLAMINE,DB02460
2944,2944,2944,Not Available,OC(=O)C(=O)CCCC1=CC=CC=C1,,Tiaprofenic acid,DB04985
2945,2945,2945,Not Available,OC1=CC=C(C=C1)[C@@H]1CC(=O)C2=CC=CC=C2O1,,Etheno-Nadp,DB14034
2946,2946,2946,Clofazimine is a riminophenazine antimycobacterial used to treat leprosy.,CC(C)N=C1C=C2N(C3=CC=C(Cl)C=C3)C3=C(C=CC=C3)N=C2C=C1NC1=CC=C(Cl)C=C1,,Elafibranor,DB08402
2947,2947,2947,Stanolone acetate is a synthetic androgen and anabolic steroid and a dihydrotestosterone ester that was never marketed.,[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,,TNX-901,DB02932
2948,2948,2948,"Eprosartan is an ARB used to treat hypertension, diabetic nephropathy, and congestive heart failure.",CCCCC1=NC=C(\C=C(/CC2=CC=CS2)C(O)=O)N1CC1=CC=C(C=C1)C(O)=O,,"Inositol 2,4,5-trisphosphate",DB07778
2949,2949,2949,Triamcinolone is a glucocorticoid used to treat a wide variety of inflammatory conditions of organ systems and tissues.,[H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Diminazene,DB04054
2950,2950,2950,"TAK-901 has been used in trials studying the treatment of Lymphoma, Myelofibrosis, Multiple Myeloma, Myeloid Metaplasia, and Advanced Solid Tumors, among others.",CCS(=O)(=O)C1=CC=CC(=C1)C1=CC(C(=O)NC2CCN(C)CC2)=C(C)C2=C1C1=C(N2)N=CC(C)=C1,,RG-7795,DB00189
2951,2951,2951,SLx-4090 is a microsomal triglyceride transfer protein (MTTP) inhibitor potentially for the treatment of type 2 diabetes. 1,COC1=CC=CC(C(=O)NC2=CC3=C(CN(CC3)C(=O)OC3=CC=CC=C3)C=C2)=C1C1=CC=C(C=C1)C(F)(F)F,,(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID,DB04106
2952,2952,2952,Not Available,NCCCOC1=CC=C(C=C1)C1=C(NN=C1)C1=CC(Cl)=C(O)C=C1O,,"(5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE",DB08721
2953,2953,2953,Not Available,[H][C@]12C=C[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@H]3OC4=C5C(C[C@H]1N(C)CC[C@@]235)=CC=C4O,,Tert-Butyl(1s)-1-Cyclohexyl-2-Oxoethylcarbamate,DB03372
2954,2954,2954,Ferrous fumarate is a medication used to treat iron-deficiency anemia.,[Fe++].[H]\C(=C(\[H])C([O-])=O)C([O-])=O,,"2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE",DB08746
2955,2955,2955,Sulfacetamide is a sulfonamide used to treat inflammatory ocular conditions and acne vulgaris.,CC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,,N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE,DB04388
2956,2956,2956,"Phenazopyridine is a local anesthetic used for the symptomatic relief of pain, burning, urgency, frequency, and general discomfort caused by lower urinary tract irritations that are a result of infection, trauma, surgery, endoscopic procedures, or the passage of equipment or catheters.",NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1,,"(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DB02768
2957,2957,2957,Epigallocatechin gallate has been investigated for the treatment of Hypertension and Diabetic Nephropathy.,OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1,,PX-478,DB08432
2958,2958,2958,"Guaiacol is an agent thought to have disinfectant properties and used as an expectorant. Guaiacol is a phenolic natural product first isolated from Guaiac resin and the oxidation of lignin. Guaiacol is also present in wood smoke, as a product of pyrolysis of lignin. Guaiacol has been found in the urine of patients with neuroblastoma and pheochromocytoma.",COC1=C(O)C=CC=C1,,Boldenone,DB00234
2959,2959,2959,Not Available,[H][C@]1(O)C[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])O,,(S)-wiskostatin,DB12329
2960,2960,2960,Not Available,CN1C(N)=NC2=C1C=C(C=N2)C1=CC=C(O)C=C1,,"3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one",DB08315
2961,2961,2961,Not Available,[H][C@@](C)(N1C(=O)[C@@]2([H])[C@@]3([H])CC[C@]([H])(C3)[C@@]2([H])C1=O)C(O)=O,,Hetacillin,DB06403
2962,2962,2962,Not Available,OC(=O)COC(=O)C1=C2C(C(=O)N(CC(O)=O)S2(=O)=O)=C2C=CC=CC2=C1,,Margetuximab,DB02526
2963,2963,2963,"Pivmecillinam is a prodrug of the beta lactam antibiotic mecillinam, indicated for the treatment of uncomplicated urinary tract infections (UTIs).",[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1,,Cimetidine,DB07783
2964,2964,2964,"Polaprezinc is a chelated form of zinc and L-carnosine. It is a zinc-related medicine approved for the first time in Japan, which has been clinically used to treat gastric ulcers 5,6. It was determined that polaprezinc may be effective in pressure ulcer treatment 3. A study in 2013 showed that CO-administration of polaprezinc may be effective against small intestine mucosal injury associated with long-term aspirin therapy 1.",NCCC(=O)N1[Zn]OC(=O)[C@@H]1CC1=CN=CN1,,Omaveloxolone,DB01239
2965,2965,2965,Not Available,CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2,,Axicabtagene ciloleucel,DB08084
2966,2966,2966,Proline is an amino acid commonly found as a component of total parenteral nutrition.,OC(=O)[C@@H]1CCCN1,,"1,4-Butanediol",DB05390
2967,2967,2967,Not Available,[H][C@]1(CN(CC2=CC=C(F)C=C2)CCN1)C(=O)NCCS,,6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE,DB05463
2968,2968,2968,Not Available,C[P@@](O)(=O)CC[C@@H](N)C(O)=O,,Roflumilast,DB00325
2969,2969,2969,Roxatidine acetate is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.,CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1,,"N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE",DB06663
2970,2970,2970,LG-100268 is a retinoid X receptor (RXR) selective compound.,CC1=C(C=C2C(=C1)C(C)(C)CCC2(C)C)C1(CC1)C1=CC=C(C=N1)C(O)=O,,Hydromorphone,DB07685
2971,2971,2971,"Carindacillin is a penicillin antibiotic used to treat a variety of infections, but is no longer marketed in the USA.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)OC1=CC2=C(CCC2)C=C1)C1=CC=CC=C1)C(O)=O,,"N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE",DB07155
2972,2972,2972,Not Available,O[C@H]1OC(=C)[C@@H](N[C@H]2C=C(C=O)C(=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,,Bendroflumethiazide,DB08411
2973,2973,2973,Dofequidar is an antineoplastic agent.,OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,Oxcarbazepine,DB03639
2974,2974,2974,"Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant Coleus forskohlii. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.",[H][C@]1(O)CCC(C)(C)[C@]2([H])[C@]([H])(O)[C@]([H])(OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]12C)C=C,,Solifenacin,DB07323
2975,2975,2975,Iloperidone is an atypical antipsychotic agent used to treat schizophrenia and manic or mixed episodes associated with bipolar I disorder in adults.,COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O,,Dihydro-alpha-ergocryptine,DB02324
2976,2976,2976,"Zinc sulfate, unspecified form is a zinc supplement indicated in parenteral nutrition.",,,"2'-deoxycytidine-2'-deoxyadenosine-3',5'-monophosphate",DB07815
2977,2977,2977,Pentolinium is a nicotinic antagonist that has been used as a ganglionic blocking agent in hypertension.,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,,Bentiromide,DB08753
2978,2978,2978,Not Available,[H][C@@]1(C[C@]([H])(N(C)C)[C@]([H])(O)[C@]([H])(C)O1)O[C@@]1([H])C[C@](O)(CC)CC2=CC3=C(C(O)=C12)C(=O)C1=C(C=CC=C1O)C3=O,,Ellagic acid,DB14672
2979,2979,2979,"H3B-8800 is a novel spliceosome inhibitor developed by H3 Biomedicine 4. It offers the benefit of preferentially killing spliceosome-mutant cancer cells whereas other splicesome inhibitors, such as the pladienolide analogue E7107, show no such preferential targeting 1. H3B-8800 was granted orphan drug status by the FDA in August 2017 and is in clinical trials for the treatment of acute myelogenous leukemia and chronic myelomonocytic leukemia 4.",C[C@H](\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(C)CC2)\C=C\[C@@H]1C)C1=CC=CC=N1,,"3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline",DB12239
2980,2980,2980,"5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This drug is known to target genome polyprotein.",CC1=NOC(CCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1,,{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid,DB01329
2981,2981,2981,Not Available,OP(O)(=O)OCCCC1=CNC2=C1C=CC=C2,,2-Amino-4-methylphenol,DB03476
2982,2982,2982,Not Available,NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1,,Sulfapyridine,DB12267
2983,2983,2983,Not Available,OC(=O)COC1=C(SC2=NC=CC=C12)C(O)=O,,5-Aminoisoquinoline,DB06738
2984,2984,2984,Not Available,N[C@@H](CCCNC(=O)CP(O)(O)=O)C(O)=O,,Dexelvucitabine,DB02056
2985,2985,2985,Avatrombopag is a thrombopoietin receptor agonist used pre-operatively to treat thrombocytopenia in patients with chronic liver disease and in patients with chronic refractory thrombocytopenia.,OC(=O)C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(=O)NC1=NC(C2=CC(Cl)=CS2)=C(S1)N1CCN(CC1)C1CCCCC1,,Insulin beef,DB08295
2986,2986,2986,Not Available,[H][C@]1(C)CN=C(N)C2=C(O1)C=CS2,,Dihydrogenphosphate,DB14490
2987,2987,2987,Pardoprunox has been used in trials studying the treatment of Early Stage Parkinson's Disease and Advanced Stage Parkinson's Disease. Pardoprunox is a partial dopamine D2 agonist and noradrenergic agonist with serotonin 5-HT1A agonist properties.,CN1CCN(CC1)C1=C2OC(=O)NC2=CC=C1,,MF101,DB04699
2988,2988,2988,"Amperozide is a diphenylbutylpiperazine atypical antipsychotic which antagonizes 5-HT2A receptors. It inhibits dopamine release and alters the firing of dopaminergic neurons. Investigations regarding the use of the agent revolved primarily around its capability for treating schizophrenia in humans even though the drug was ultimately never clinically adopted for this indication. Alternatively, amperozide's main use lies in veterinary medicine, where it is typically employed to minimize aggression and stress in intensively farmed pigs.",[H]N(CC)C(=O)N1CCN(CCCC(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)CC1,,Edrophonium,DB07180
2989,2989,2989,Not Available,CN(C)CC1=CC=C(CSCCNC(NCC2=CC=C3OCOC3=C2)=C[N+]([O-])=O)O1,,N-[(4-methoxyphenyl)sulfonyl]-D-alanine,DB00105
2990,2990,2990,Not Available,[H][C@@]1(C[C@@]11C[C@]([H])(NC1=O)C1=CC=C(OCC2=CC(=NC3=C2C=CC=C3)C2=CC=CC=C2)C=C1)C(O)=O,,Anisotropine methylbromide,DB01112
2991,2991,2991,Not Available,CNC(=O)CN1CCC(CC1)NC1=NC(=CC=N1)C1=CN=C2C=CC=CN12,,"N,N,N-trimethylglycinium",DB08709
2992,2992,2992,Mercaptopurine is an antineoplastic agent used to treat acute lymphocytic leukemia.,S=C1N=CNC2=C1NC=N2,,(2S)-2-({6-[(3-Amino-5-chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)-3-methyl-1-butanol,DB02784
2993,2993,2993,This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group. It targets the protein aldose reductase.,OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O,,Sulconazole,DB08198
2994,2994,2994,Not Available,C(NC1=C2C=CC=CC2=NC2=C1CCCC2)C1=CC=CC=C1,,Vitamin B6 Complexed with 2-Amino-Hexanoic Acid,DB00795
2995,2995,2995,Robenacoxib is a non-steroidal anti-inflammatory drug used in veterinary medicine for the relief of pain and inflammation in cats and dogs.,CCC1=CC(CC(O)=O)=C(NC2=C(F)C(F)=CC(F)=C2F)C=C1,,Esketamine,DB03959
2996,2996,2996,Duvelisib is an inhibitor of phosphatidylinositol 3-kinase delta and gamma used to treat relapsed or refractory chronic lymphocytic leukemia or small lymphocytic lymphoma.,C[C@H](NC1=C2N=CNC2=NC=N1)C1=CC2=CC=CC(Cl)=C2C(=O)N1C1=CC=CC=C1,,Trastuzumab,DB01651
2997,2997,2997,Tenofovir alafenamide is a nucleoside analog reverse transcriptase inhibitor used for the treatment of chronic hepatitis B virus infection in adults with compensated liver disease.,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N)N=CN=C12)OC1=CC=CC=C1,,Cystine,DB03832
2998,2998,2998,Muscimol has been used in trials studying the treatment of Epilepsy and Parkinson's Disease.,NCC1=CC(=O)NO1,,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine",DB14901
2999,2999,2999,"Plozalizumab has been investigated for the treatment of Atherosclerosis. Plozalizumab, a novel humanized monoclonal antibody, specifically targets CCR2 chemokine receptors found on the surface of certain white blood cells including macrophages and monocytes. Preclinical studies suggest that CCR2 plays an important role in the trafficking of monocytes and macrophages to sites of inflammation. The recruitment of macrophages to the arterial wall is believed to be a critical step in the development of atherosclerosis.",,,Glutazumab,DB04697
3000,3000,3000,"Ximelagatran is an anticoagulant intended to become a replacement for warfarin by overcoming the dietary restrictions, drug interaction, and monitoring issues associated with the former. In 2006, its manufacturer AstraZeneca announced that it would not attempt to market ximelagatran after reports of hepatotoxicity (liver damage) during trials, and to discontinue its distribution in countries where the drug had been approved.",CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCC1=CC=C(C=C1)C(\N)=N\O)C1CCCCC1,,"4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid",DB00282
3001,3001,3001,Cinchocaine is an anesthetic used for local or regional anesthesia.,CCCCOC1=NC2=CC=CC=C2C(=C1)C(=O)NCCN(CC)CC,,Hypericin,DB04135
3002,3002,3002,Carboxymethylcellulose is a compound used as an ophthalmic lubricant.,,,Trichostatin A,DB05018
3003,3003,3003,Not Available,O[C@H](C[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,,Pralidoxime,DB08491
3004,3004,3004,Not Available,ClC1=CC=CC(NC2=NC(OCC3CCCCC3)=C3NC=NC3=N2)=C1,,Z-Pro-Prolinal,DB04030
3005,3005,3005,"(S)-camphor, or L(-)-Camphor, is a stereoisomer of Camphor, a bicyclic monoterpene known to potentiate both heat and cold sensations 2. (S)-camphor is not the naturally-occurring stereoisomer but displays similar TRPV channel affinity and current inhibition 1. Camphor is isolated from the wood of the camphor laurel tree, Cinnamomum camphora, and had a long history of medicinal use. It has been used as a nasal decongestant and cough suppressant, and has been topically applied due to its antipruritic, analgesic, and counterirritant properties 1. Camphor is a major active ingredient in over-the-counter balms and liniments supplied as topical analgesics by causing sensitization to heat and coolness to relieve minor muscle and joint pain 1.",CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,,N-Methylleucine,DB04374
3006,3006,3006,Not Available,[H]N([H])C(=N/C1=CC=C(CCN([H])CC2=CC(Cl)=CC=C2)C=C1)\C1=CC=CS1,,"3,5,6,8-Tetramethyl-N-Methyl Phenanthrolinium",DB06148
3007,3007,3007,Mesalazine is an aminosalicylate drug used to treat mild to moderate active ulcerative colitis and also to maintain remission once achieved.,NC1=CC(C(O)=O)=C(O)C=C1,,SR-9009,DB00379
3008,3008,3008,Belumosudil is an oral inhibitor of rho-associated coiled-coil-containing protein kinases (ROCK) used in the treatment of chronic graft-versus-host disease (GVHD).,CC(C)NC(=O)COC1=CC=CC(=C1)C1=NC2=C(C=CC=C2)C(NC2=CC=C3NN=CC3=C2)=N1,,N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate,DB01416
3009,3009,3009,Not Available,CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O,,[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID,DB07837
3010,3010,3010,Nitrofurantoin is an antibiotic used to treat urinary tract infections.,[O-][N+](=O)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,,"Dihydro-2-thioxo-5-((5-(2-(trifluoromethyl)phenyl)-2-furanyl)methyl)-4,6(1H,5H)-pyrimidinedione",DB02451
3011,3011,3011,Mitemcinal (GM-611) is a novel erythromycin-derived prokinetic agent that acts as an agonist at the motilin receptor.,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC,,2-O-methyl-alpha-L-fucopyranose,DB03572
3012,3012,3012,Guanosine 5'-monophosphate. A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature. [PubChem],NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,Lebrikizumab,DB04677
3013,3013,3013,Albendazole is a benzimidazole anthelmintic used to treat parenchymal neurocysticercosis and other helminth infections.,CCCSC1=CC2=C(C=C1)N=C(NC(=O)OC)N2,,ATL1101,DB08106
3014,3014,3014,"GC-376 is a 3C-like protease (3CLpro or Mpro) inhibitor that stops the cleavage and activation of functional viral proteins required for replication and transcription in host cells1. The compound is known as a direct acting antiviral (DAA) for coronaviruses, and was initially developed using structure-guided design to combat MERS-Cov infections1,2. In addition, GC-376 displays potent activity against various coronaviruses such as feline, ferret, and mink Mpro coronavirus3,4,1,5. A prodrug of GC-373, GC-376 has recently been used to test inhibition of SARS-Cov-2 Mpro in vitro, and results show potent inhibition of this target1. These results suggest that GC-376, and its metabolites may have therapeutic potential for Covid-19.",CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O,,5-Bromonicotinamide,DB08359
3015,3015,3015,Not Available,[H][C@](N)(COS(=O)(=O)CCCCCCCCCCCCCCCC)C(O)=O,,Capric dimethyl amine oxide,DB03233
3016,3016,3016,Not Available,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,,Sulthiame,DB01135
3017,3017,3017,Not Available,[H][C@]1(OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)C1=CC=C(OCCN2CCCCC2)C=C1,,XmAb 2513,DB02048
3018,3018,3018,Hexamidine is an antiseptic drug used for dermatomycoses and superficial bacterial infections alone or in combination with clotrimazole.,NC(=N)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1,,N-(3-Carboxypropanoyl)-L-phenylalanyl-3-carboxy-O-(carboxymethyl)-N-pentyl-L-tyrosinamide,DB07784
3019,3019,3019,Xylazine is a non-opioid and clonidine analog with analgesic and muscle relaxant properties used as a tranquilizer used in veterinary medicine.,CC1=CC=CC(C)=C1NC1=NCCCS1,,11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID,DB03766
3020,3020,3020,"Bacampicillin is an ampicillin prodrug used to treat various susceptible bacterial infections in the body, such as respiratory infections and skin and subcutaneous tissue infections.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC,,"N-{2,2-DIFLUORO-2-[(2R)-PIPERIDIN-2-YL]ETHYL}-2-[2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL][1,3]OXAZOLO[4,5-C]PYRIDIN-4-AMINE",DB01255
3021,3021,3021,Not Available,NCCC1=CC=C(C=C1)S(F)(=O)=O,,CRA_10991,DB02088
3022,3022,3022,Not Available,[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,,"1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE",DB06878
3023,3023,3023,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)N([H])[H])[C@@H](O)[C@H]1O,,"6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione",DB05308
3024,3024,3024,Not Available,[H][C@@](CCCC)(CN(O)C=O)C(=O)N[C@]([H])(C(=O)N(C)C)C(C)(C)C,,"1,3,5-trichlorobenzene",DB02010
3025,3025,3025,"A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from aspartic acid and ammonia by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed)",N[C@@H](CC(N)=O)C(O)=O,,(2Z)-2-(Benzoylamino)-3-[4-(2-bromophenoxy)phenyl]acrylic acid,DB00834
3026,3026,3026,Not Available,N[C@@H](CC\C=C\[B-](O)(O)O)C(O)=O,,Triglyme,DB07588
3027,3027,3027,Not Available,[H][C@]1(F)CN(CC(=O)NC2=CC=C(C=C2F)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,,2-Phenylamino-Ethanesulfonic Acid,DB08056
3028,3028,3028,Tasimelteon is a melatonin receptor agonist used to treat Non- 24-Hour Sleep-Wake Disorder.,CCC(=O)NC[C@@H]1C[C@H]1C1=CC=CC2=C1CCO2,,Sulfameter,DB13257
3029,3029,3029,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)N(C)CC1=COC2=NC(N)=NC(N)=C12)C(O)=O,,"2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER",DB02959
3030,3030,3030,A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem],O[C@@H](CS)[C@@H](O)CS,,2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE,DB13995
3031,3031,3031,Glucagon is a form of recombinant glucagon used to treat hypoglycemia in diabetes mellitus and as a part of gastrointestinal imaging procedures.,,HSQGTFTSDYSKYLDSRRAQDFVQWLMNT,"3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide",DB05184
3032,3032,3032,"Maprotiline is a tetracyclic antidepressant used to treat depressive illness, major depressive disorder, bipolar disorder, and anxiety associated with depression.",CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21,,2-Aminoquinazolin-4(3h)-One,DB04248
3033,3033,3033,"2,6-dicarboxynaphthalene is a solid. This compound belongs to the naphthalenecarboxylic acids. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group. This drug targets the proteins hemoglobin subunit alpha and hemoglobin subunit beta.",OC(=O)C1=CC2=CC=C(C=C2C=C1)C(O)=O,,Azacitidine,DB05457
3034,3034,3034,Not Available,[H][C@]1(C)O[C@]([H])(O[C@]2([H])C(CO)=C[C@]([H])(N[C@]3([H])[C@@]([H])(C)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Cortivazol,DB07233
3035,3035,3035,MK-4965 is an HIV-1 reverse transcriptase inhibitor.,NC1=CC=C2C(COC3=CC=C(Cl)C(OC4=CC(=CC(Cl)=C4)C#N)=C3)=NNC2=N1,,Amibegron,DB01692
3036,3036,3036,Tagraxofusp is a CD123-directed cytotoxin used to treat blastic plasmacytoid dendritic cell neoplasm.,,MGADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDWKGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAETIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYINNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAGNRVRRSVGSSLSCINLDWDVIRDKTKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSELKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGSVMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVESIINLFQVVHNSYNRPAYSPGHKTRPHMAPMTQTTSLKTSWVNCSNMIDEIITHLKQPPLPLLDFNNLNGEDQDILMENNLRRPNLEAFNRAVKSLQNASAIESILKNLLPCLPLATAAPTRHPIHIKDGDWNEFRRKLTFYLKTLENAQAQQTTLSLAIF,Thrombin,DB08757
3037,3037,3037,Not Available,[H]N1CC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1=O,,N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide,DB08087
3038,3038,3038,Not Available,CC(C)(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)C1=NC2=NC(N)=NC(N)=C2C=C1,,"4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol",DB06900
3039,3039,3039,"Somatrem is a recombinant growth hormone used to treat adult growth hormone deficiency and treat disrupted growth in children due to growth hormone insufficiency or deficiency, turner's syndrome, chronic renal failure, and small stature for gestational age.",,,(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide,DB08129
3040,3040,3040,"MPI-674 is an aromatase inhibitor (AI) with a well-established, multi-year chronic safety and tolerability profile. AIs are a class of drugs that reduce the amount of estrogen circulating in the body by binding to and inhibiting the enzyme aromatase, which is responsible for converting certain hormones to estrogen. It is developed for the treatment of several serious women’s health conditions including endometrial thinning prior to endometrial ablations in premenopausal women with abnormal uterine bleeding (AUB).",,,Givinostat,DB07527
3041,3041,3041,Binimetinib is a medication used to treat metastatic melanoma with specific mutations.,CN1C=NC2=C(F)C(NC3=CC=C(Br)C=C3F)=C(C=C12)C(=O)NOCCO,,(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide,DB02105
3042,3042,3042,Not Available,[H]\C1=C2\C(=C[C@@]([H])(OC(=O)C3=C(O)C=CC4=C3C=C(OC)C=C4C)[C@]2([H])O[C@@]2([H])O[C@]([H])(C)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])NC)C#C[C@@]2(O[C@]2([H])C#C1)[C@@]1([H])COC(=O)O1,,Diethyl phosphonate,DB05305
3043,3043,3043,Not Available,[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(OC)C(=O)CO,,Hypoxanthine,DB01926
3044,3044,3044,Berotralstat is an inhibitor of plasma kallikrein used for prophylaxis of angioedema attacks in patients with hereditary angioedema.,NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F,,"2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE",DB05688
3045,3045,3045,Not Available,SCC1=CC=CN=C1,,"4-[5-(Trans-4-Aminocyclohexylamino)-3-Isopropylpyrazolo[1,5-a]Pyrimidin-7-Ylamino]-N,N-Dimethylbenzenesulfonamide",DB07244
3046,3046,3046,Not Available,N[C@@H](COS(=O)(=O)CC1=CC=CC=C1)C(O)=O,,Metyrosine,DB14028
3047,3047,3047,Not Available,CC(C)(C)C1=C(\C=C2/NC(=O)\C(NC2=O)=C\C2=CC=CC=C2)N=CN1,,Formycin-5'-Monophosphate,DB03979
3048,3048,3048,Not Available,OC1=CC=C2C=C(C=C(C#N)C2=C1)C1=CC=C(O)C(F)=C1,,Oxandrolone,DB12579
3049,3049,3049,Not Available,NNC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl,,Ularitide,DB02942
3050,3050,3050,"Lisinopril is an ACE inhibitor used to treat hypertension, heart failure, and acute myocardial infarction.",NCCCC[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O,,AL7099A,DB04069
3051,3051,3051,Not Available,CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O,,"(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide",DB07259
3052,3052,3052,Not Available,C[C@@]1(OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1)C(O)=O,,Glucosaminyl-(Alpha-6)-D-Myo-Inositol,DB06184
3053,3053,3053,Not Available,COC1=CC2=C(CN(CCC3=CC=C(NC(=O)C4=CC(OC)=C(OC)C=C4NC(=O)C4=CN=C5C=CC=CC5=C4)C=C3)CC2)C=C1OC,,Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide,DB09345
3054,3054,3054,Not Available,CC1=CC=CC=C1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC=CC(O)=C1C,,Medrogestone,DB05758
3055,3055,3055,"Cyclic guanosine monophosphate (Cyclic GMP) is a guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed)",NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,,Fludarabine,DB12615
3056,3056,3056,Tucatinib is a kinase inhibitor used to treat certain types of unresectable/metastatic HER-2 positive breast cancer.,CC1=CC(NC2=NC=NC3=CC=C(NC4=NC(C)(C)CO4)C=C23)=CC=C1OC1=CC2=NC=NN2C=C1,,CD564,DB03177
3057,3057,3057,Not Available,[H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1,,Dacarbazine,DB04776
3058,3058,3058,"Fluoxymesterone is a synthetic androgenic anabolic steroid that used in the treatment of hypogonadism and delayed puberty in males, as well as breast neoplasms in women.",[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol",DB09456
3059,3059,3059,Not Available,O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12,,"(2R,3R,4S,5R,6E)-3,4,5-Trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxo-3-azepanyl]-2-methoxy-8,8-dimethyl-6-nonenamide",DB02986
3060,3060,3060,Not Available,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Cyclohexanol,DB05328
3061,3061,3061,Not Available,CC1=CC=CN=C1,,Demecarium,DB08713
3062,3062,3062,"Ceftriaxone is a broad-spectrum cephalosporin antibiotic used for the treatment of bacterial infections in various locations, such as in the respiratory tract, skin, soft tissue, and urinary tract.",[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,Sutimlimab,DB07773
3063,3063,3063,Dolasetron is an antinauseant and antiemetic used in chemotherapy and postoperatively.,[H][C@@]1(C[C@@]2([H])C[C@]3([H])C[C@@]([H])(C1)N2CC3=O)OC(=O)C1=CNC2=C1C=CC=C2,,Dexibuprofen,DB01076
3064,3064,3064,Not Available,NC1=NC2=C(C(=CN2)C#N)C(=O)N1,,Acetyldigitoxin,DB14508
3065,3065,3065,Human interferon beta is a polypeptide drug used in the treatment of relapsing forms of Multiple Sclerosis (MS).,,,N1-(1-Dimethylcarbamoyl-2-Phenyl-Ethyl)-2-Oxo-N4-(2-Pyridin-2-Yl-Ethyl)-Succinamide,DB00754
3066,3066,3066,Not Available,NC1=CC=C(C=C1[Hg])S(N)(=O)=O,,D-Treitol,DB04463
3067,3067,3067,RU84687 is a subnanomolar and Src SH2 selective binder.,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,"(2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine",DB04896
3068,3068,3068,Selexipag is a non prostanoid IP prostacyclin receptor agonist used to treat pulmonary arterial hypertension.,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1,,Omalizumab,DB04546
3069,3069,3069,"Rimonabant is an anorectic anti-obesity drug produced and marketed by Sanofi-Aventis. It is an inverse agonist for the cannabinoid receptor CB1. Its main avenue of effect is reduction in appetite. Rimonabant is the first selective CB1 receptor blocker to be approved for use anywhere in the world. Rimonabant is approved in 38 countries including the E.U., Mexico, and Brazil. It was rejected for approval for use in the United States. This decision was made after a U.S. advisory panel recommended the medicine not be approved because it may increase suicidal thinking and depression.",CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1,,3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile,DB07446
3070,3070,3070,Not Available,C[C@H](CNCC1=C(O)C(C)=NC=C1COP(O)(O)=O)OP(O)(O)=O,,Alteplase,DB04066
3071,3071,3071,Not Available,CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1,,"3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide",DB08565
3072,3072,3072,Not Available,CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,,L-Alpha-Glycerophosphorylserine,DB03155
3073,3073,3073,Not Available,CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC1=CC=CC=C1,,6-phospho-D-gluconic acid,DB07411
3074,3074,3074,Not Available,CC(=O)CCC(O)=O,,6-hydroxymethylpterin diphosphate,DB00983
3075,3075,3075,Not Available,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(Cl)C=CC(N([H])CC(F)(F)C2=CC=CC=C2)=C1F)N([H])[H],,Seletracetam,DB13624
3076,3076,3076,Not Available,OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2,,AV-412,DB08718
3077,3077,3077,Not Available,COC1=NC=CN=C1C(C)C,,Afegostat,DB00476
3078,3078,3078,Benidipine is a synthetic dihydropyridine calcium channel blocker used to treat hypertension and angina pectoris.,COC(=O)C1=C(C)NC(C)=C([C@@H]1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)O[C@@H]1CCCN(CC2=CC=CC=C2)C1,,Capric acid,DB02306
3079,3079,3079,"Remikiren is an orally active, high specificity renin inhibitor.",CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,,"N-Hydroxy 1n(4-Methoxyphenyl)Sulfonyl-4-(Z,E-N-Methoxyimino)Pyrrolidine-2r-Carboxamide",DB00975
3080,3080,3080,Not Available,C=C=CCNCCCCNCC=C=C,,"{[2-Amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methyl dihydrogenato(2-) phosphate}(dioxo)sulfanylmolybdenum",DB03040
3081,3081,3081,Not Available,[H][C@@](O)(C(=O)NO)[C@@]([H])(CC(C)C)C=O,,Cyclouridine,DB07895
3082,3082,3082,Not Available,[H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C,,Myrrh,DB01887
3083,3083,3083,Not Available,CC1=NC2=NC=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1,,"BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE",DB03436
3084,3084,3084,Not Available,CN1C(=O)C=CC2=CC=CC=C12,,13-Acetylphorbol,DB15768
3085,3085,3085,Not Available,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,"1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine",DB06774
3086,3086,3086,Not Available,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,"2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE",DB05950
3087,3087,3087,Not Available,OC(=O)CCCC(=O)NC1=CC=C(CC[N+]2([O-])CCCCC2)C=C1,,Methscopolamine bromide,DB03697
3088,3088,3088,Testosterone propionate is a slow-release anabolic steroid no longer used commonly for the treatment of androgen deficiency or promotion of anabolic effects on muscles.,[H][C@@]12CC[C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE,DB06819
3089,3089,3089,Not Available,[H][C@@](O)(CNC1=CC=CC=C1C(O)=O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,,Belatacept,DB03536
3090,3090,3090,Not Available,CC(C)C1=CC=C(CNNC(=O)C2=CC=C(O)C=C2)C=C1,,Beta-L-Arabinose,DB05928
3091,3091,3091,Not Available,NC1=CC(C=O)=C(CC(=O)OCCBr)C=C1,,"(2R,4S,5R,6R)-5-Acetamido-4-amino-6-(diethylcarbamoyl)oxane-2-carboxylic acid",DB03846
3092,3092,3092,Biotin is a B-complex vitamin found in many multivitamin products.,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,,MIV-701,DB08684
3093,3093,3093,Nitroxoline is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a hydroxyquinoline derivative unrelated to other classes of drugs.1 Nitroxoline is active against bacterial gyrases.,OC1=C2N=CC=CC2=C(C=C1)[N+]([O-])=O,,"(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID",DB01830
3094,3094,3094,Capsicum oleoresin is a medication used to treat minor aches and pains of muscles and joints.,,,Pralatrexate,DB15102
3095,3095,3095,"Porfimer sodium is a hematoporphyrin derivative used to treat esophageal cancer, endobronchial cancer, and high grade dysplasia in Barrett's Esophagus.",,,Tetrodotoxin,DB04447
3096,3096,3096,Not Available,CC1=CC=C(O)C=C1C,,Phosphatidyl serine,DB02702
3097,3097,3097,Norepinephrine is a sympathomimetic used in the control of blood pressure during various hypotensive states and as an adjunct treatment during cardiac arrest.,NC[C@H](O)C1=CC(O)=C(O)C=C1,,"2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",DB00586
3098,3098,3098,Not Available,[H][C@]1(O)CN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C[C@]1([H])NC(=O)C1=CC=C(Cl)S1,,"1,2-Benzodiazepine",DB02067
3099,3099,3099,Not Available,NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1,,Aztreonam,DB03056
3100,3100,3100,"Filanesib is a potent Kinesin Spindle Protein (KSP) inhibitor that caused marked tumor regression in preclinical models of human solid tumors and human leukemias, often leading to durable responses.",CON(C)C(=O)N1N=C(S[C@@]1(CCCN)C1=CC=CC=C1)C1=CC(F)=CC=C1F,,"2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid",DB02712
3101,3101,3101,Hydroxychloroquine is an antimalarial medication used to treat uncomplicated cases of malaria and for chemoprophylaxis in specific regions. Also a disease modifying anti-rheumatic drug (DMARD) indicated for treatment of rheumatoid arthritis and lupus erythematosus.,CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1,,Lysine Nz-Carboxylic Acid,DB07821
3102,3102,3102,Not Available,,,AT9283,DB04422
3103,3103,3103,Not Available,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C(Cl)C=C2)C(O)=C1Br,,3-(Benzyloxy)Pyridin-2-Amine,DB14010
3104,3104,3104,Diroximel fumarate is a drug used for the treatment of relapsing forms of Multiple Sclerosis (MS).,COC(=O)\C=C\C(=O)OCCN1C(=O)CCC1=O,,"(4s)-2-[(1e)-1-Aminoprop-1-Enyl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid",DB08466
3105,3105,3105,"Tecovirimat is an antiviral medication used to treat smallpox, monkeypox, and cowpox.",FC(F)(F)C1=CC=C(C=C1)C(=O)NN1C(=O)[C@H]2[C@H]([C@H]3C=C[C@@H]2[C@@H]2C[C@H]32)C1=O,,"5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole",DB00056
3106,3106,3106,[methyltelluro]acetate is a solid. This compound belongs to the organic oxoanionic compounds. These are organic compounds containing an oxoanion. This medication targets the protein monomeric sarcosine oxidase.,C[Te]CC([O-])=O,,"4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol",DB08009
3107,3107,3107,"1,6-Fructose Diphosphate (Linear Form) is a drug used to treat hypophosphataemia.",O[C@H](COP(O)(O)=O)[C@H](O)[C@H](O)C(=O)COP(O)(O)=O,,Famciclovir,DB08234
3108,3108,3108,Not Available,[H][C@@](C)(C#CC1=C(N)N=C(N)N=C1C)C1=CC(OC)=C(C=C1)C1=CC=CC=C1,,"3h-Indole-5,6-Diol",DB07365
3109,3109,3109,Not Available,[H][C@@](CC(O)=O)(C(O)=O)C(=O)C(O)=O,,(2S)-2-HYDROXYOCTANOIC ACID,DB08292
3110,3110,3110,Not Available,OC1=CC2=C(C=C1)C(=NO2)C1=CC2=C(C=C1)C=C(O)C=C2,,Propoxycaine,DB03867
3111,3111,3111,Not Available,NC1=NC(CCC2=CC=C3C=CNC3=C2)=CC=C1,,"(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE",DB06934
3112,3112,3112,Albiglutide is a GLP-1 agonist used to manage type 2 diabetes mellitus.,,HGEGTFTSDVSSYLEGQAAKEFIAWLVKGRHGEGTFTSDVSSYLEGQAAKEFIAWLVKGRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL,Oxymetazoline,DB01297
3113,3113,3113,Not Available,[H][C@](N)(CC1=CNC2=C1C=CC(NNC1=CC=CC=C1)=C2O)C=O,,Farnesyl diphosphate,DB08660
3114,3114,3114,Halothane is a general inhalation anesthetic used for the induction and maintenance of general anesthesia.,[H]C(Cl)(Br)C(F)(F)F,,LGD2941,DB03891
3115,3115,3115,Not Available,CC1=CC(NC(=O)NC2=NC=C(CCNC3=CC(NC4=NC=NN4)=NC=N3)S2)=C(O1)C(F)(F)F,,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE",DB11639
3116,3116,3116,Not Available,COC1=CC2=C(C=C1)C1=C(N2)C(C)=NC=C1,,"(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE",DB13009
3117,3117,3117,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=CC(N)=CC2=O)[C@]([H])(O)[C@]1([H])O,,[4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine,DB08845
3118,3118,3118,"Glycodiazine is used with diet to lower blood glucose by increasing the secretion of insulin from pancreas and increasing the sensitivity of peripheral tissues to insulin. The mechanism of action of glycodiazine in lowering blood glucose appears to be dependent on stimulating the release of insulin from functioning pancreatic beta cells, and increasing sensitivity of peripheral tissues to insulin. Glycodiazine likely binds to ATP-sensitive potassium channel receptors on the pancreatic cell surface, reducing potassium conductance and causing depolarization of the membrane. Membrane depolarization stimulates calcium ion influx through voltage-sensitive calcium channels. This increase in intracellular calcium ion concentration induces the secretion of insulin. It is used for the concomitant use with insulin for the treatment of noninsulin-dependent (type 2) diabetes mellitus.",COCCOC1=CN=C(NS(=O)(=O)C2=CC=CC=C2)N=C1,,"5-[(4-Methylphenyl)Sulfanyl]-2,4-Quinazolinediamine",DB02721
3119,3119,3119,Not Available,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,,N-[(2S)-4-Methyl-1-oxo-1-{[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino}-2-pentanyl]-1-benzofuran-2-carboxamide,DB02566
3120,3120,3120,Not Available,[H]N(C1=NC(=O)\C(S1)=C\C1=CC=C(C)O1)S(=O)(=O)C1=CC=C(C)C=C1,,TRIAZOLOPYRIMIDINE,DB00973
3121,3121,3121,Not Available,[H][C@]1(CO)O[C@@]([H])(SC2=CC=C(C=C2)[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,(S)-Hmg-Coa,DB13933
3122,3122,3122,Romiplostim is a fusion protein thrombopoietin (TPO) peptide analog that increases platelet counts by binding to and activating the human TPO receptor. Used to treat thrombocytopenia associated with chronic immune thrombocytopenia (ITP).,,IEGPTLRQWLAARA,Delafloxacin,DB02141
3123,3123,3123,Penciclovir is a topical nucleoside polymerase inhibitor used in the treatment of recurrent herpes labialis.,NC1=NC(=O)C2=C(N1)N(CCC(CO)CO)C=N2,,Cefixime,DB01175
3124,3124,3124,Not Available,COC1=CC=C2NC(I)=C(CCNC(C)=O)C2=C1,,Serine vanadate,DB08526
3125,3125,3125,"AMG-208 has been used in trials studying the treatment of Cancer, Tumors, Oncology, Prostate Cancer, and Oncology Patients, among others.",COC1=CC2=NC=CC(OCC3=NN=C4C=CC(=NN34)C3=CC=CC=C3)=C2C=C1,,"(3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",DB02750
3126,3126,3126,Not Available,[H][C@@](C)(CC1=CC=CC=C1O)C(O)=O,,Alverine,DB04763
3127,3127,3127,"Tridihexethyl is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract. Tridihexethyl is an antimuscarinic, anticholinergic drug. Tridihexethyl is no longer available in the US market.",CC[N+](CC)(CC)CCC(O)(C1CCCCC1)C1=CC=CC=C1,,Enalkiren,DB04050
3128,3128,3128,Not Available,[H]N1C(=O)\C(C2=C1C=CC(=C2)S(=O)(=O)N1CCC(O)CC1)=C1/N([H])C2=CC=CC=C2[C@]1(C)O,,RU83876,DB05022
3129,3129,3129,"UCB7362 is an orally active plasmepsin X (PMX) inhibitor currently investigated for the treatment of malaria.1 Plasmepsins are aspartyl proteases produced by the malaria parasite Plasmodium falciparum, and PMX is considered to be essential for parasite egress and invasion.2 UCB7362 is estimated to achieve a significant reduction in asexual blood-stage parasites. It has shown high potency in biochemical (IC50 = 7 nM), in vitro (P. falciparum 3D7 lactate dehydrogenase growth inhibition assay IC50 = 10 nM), and in vivo (50 mg/kg dose in mice) studies.1",C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)C1=C(Cl)C(NC(=O)C2=CC=CC(=C2)C#N)=CC=C1,,"7-Iodo-1,2,3,4-Tetrahydro-Isoquinoline",DB08072
3130,3130,3130,Betamethasone phosphate is a fast acting ester prodrug of a corticosteroid used to treat inflammatory conditions.,[H][C@@]12C[C@H](C)[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE,DB08888
3131,3131,3131,Not Available,[H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@]([H])(O)[C@]1([H])O,,5-bromo-3-(pyrrolidin-1-ylsulfonyl)-1H-indole-2-carboxamide,DB02898
3132,3132,3132,Denileukin diftitox is an IL2-receptor-directed cytotoxin indicated for the treatment of relapsed or refractory Stage I to III cutaneous T-cell lymphoma (CTCL) after at least one prior systemic therapy.,,,"5-(Aminomethyl)-6-(2,4-Dichlorophenyl)-2-(3,5-Dimethoxyphenyl)Pyrimidin-4-Amine",DB11834
3133,3133,3133,Not Available,OC(=O)C1=CC=CC=C1\N=N\C1=C2C=CC=CC2=C(O)C=C1,,Galactose-uridine-5'-diphosphate,DB04971
3134,3134,3134,Cyclopentolate is an anticholinergic used to cause mydriasis and cycloplegia for diagnostic testing.,CN(C)CCOC(=O)C(C1=CC=CC=C1)C1(O)CCCC1,,Tigecycline,DB03057
3135,3135,3135,An adrenergic neuron-blocking drug similar in effects to guanethidine. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.,NC(=N)N1CCC2=CC=CC=C2C1,,"3-{2,6,8-trioxo-9-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate",DB00582
3136,3136,3136,Not Available,[H][C@@]1(CC(O)=O)NC2=CC=CC=C2CN(C)C1=O,,G4460,DB00540
3137,3137,3137,Aliskiren is a direct renin inhibitor used to manage hypertension.,COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1,,Anthralin,DB11421
3138,3138,3138,An essential amino acid. It is often added to animal feed. [PubChem],NCCCC[C@@H](N)C(O)=O,,RPI-78M,DB00330
3139,3139,3139,"Aplidine is a peptide found in tunicates which shows promise in shrinking tumors in pancreatic, stomach, bladder, and prostate cancers. The specific marine organism is Aplidium albicans. Aplidine is also of interest as a potential treatment for some leukemias.",[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@H](O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CCCN1C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](CC1=CC=C(OC)C=C1)N(C)C2=O)[C@@H](C)CC)C(C)C,,4-(2-AMINOETHYL)BENZENESULFONAMIDE,DB03792
3140,3140,3140,Not Available,OC(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,,3-[(4-Carboxy-2-hydroxyphenyl)sulfamoyl]-2-thiophenecarboxylic acid,DB07551
3141,3141,3141,Ozenoxacin is a quinolone antibiotic used to treat impetigo caused by susceptible bacteria.,CNC1=NC=C(C=C1C)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1C)C(O)=O,,Phloretic acid,DB00143
3142,3142,3142,Not Available,CCC1=CC=CC=C1NC(=O)OC1=CC2=C(C=C1)N(C)C1C2(C)CC[N+]1(C)[O-],,Reversine,DB01168
3143,3143,3143,Rimiducid is a homodimerizing agent potentially used in combination with cellular immunotherapies for cancers and blood disorders to increase the therapeutic effectiveness.,CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC(OCC(=O)NCCNC(=O)COC2=CC=CC(=C2)[C@@H](CCC2=CC=C(OC)C(OC)=C2)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1)C1=CC(OC)=C(OC)C(OC)=C1,,Tricarballylic acid,DB13783
3144,3144,3144,Not Available,ClC1=C(NC2=NC(NC3=CC(=CC=C3)N3CCOCC3)=NC=C2)C2=C(OCO2)C=C1,,XTL-6865,DB11345
3145,3145,3145,Tulobuterol is an inhaled long-acting beta2-adrenergic receptor agonist used as a bronchodilator in the management of asthma and COPD.,CC(C)(C)NCC(O)C1=CC=CC=C1Cl,,VGV-1,DB08441
3146,3146,3146,Not Available,CC(C)C(O)=O,,Eribaxaban,DB01356
3147,3147,3147,Tenofovir is a nucleotide analog indicated in the treatment of HIV infections.,C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O,,CCT-018159,DB09389
3148,3148,3148,Phentermine is a sympathomimetic anorectic agent used as a short-term adjunct therapy that is included in a regimen of weight reduction in cases of exogenous obesity.,CC(C)(N)CC1=CC=CC=C1,,Actelion-1,DB09224
3149,3149,3149,"Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene.",CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C,,2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide,DB02572
3150,3150,3150,Romidepsin is a histone deacetylase (HDAC) inhibitor used to treat cutaneous T-cell lymphoma.,C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C,,Xylose-Derived Imidazole,DB02875
3151,3151,3151,Eptifibatide is a peptide-based antagonist for glycoprotein IIb/IIIa used in the medical management of myocardial infarction and as an adjunct to percutaneous coronary intervention.,,,"2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE",DB08323
3152,3152,3152,Not Available,[Ga+3].CC(=O)N([O-])CCC[C@H]1\N=C(O)\C\N=C(O)\[C@H](CO)\N=C(O)\C\N=C(O)\[C@H](CCCN([O-])C(C)=O)\N=C(O)\C(CCCN([O-])C(C)=O)\N=C1/O,,N(2)-succinyl-L-arginine,DB09201
3153,3153,3153,Not Available,CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1,,Ferric pyrophosphate citrate,DB06138
3154,3154,3154,Not Available,CC1=CC=C(O)C(N)=C1,,Atracurium besylate,DB01589
3155,3155,3155,"A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE). [PubChem]",[H][C@](N)(CC1=CC(I)=C(O)C(I)=C1)C(O)=O,,S-Hydroxycysteine,DB02297
3156,3156,3156,Ketazolam is a long-acting benzodiazepine used to manage anxiety and insomnia.,CN1C2=C(C=C(Cl)C=C2)C2(OC(C)=CC(=O)N2CC1=O)C1=CC=CC=C1,,Deflazacort,DB01834
3157,3157,3157,SR 121463 is a nonpeptide aquaretic compound with potent selective antagonism of the vasopressin V2 (V1b) receptor subtype. It is a candidate for control of hyponatremia and in the treatment of syndrome of inappropriate secretion of anti-diuretic hormone (SIADH).,,,5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid,DB07985
3158,3158,3158,Fospropofol is a sedative-­hypnotic agent indicated for monitored anesthesia care (MAC) sedation in adult patients undergoing diagnostic or therapeutic procedures.,CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O,,Sparsentan,DB03086
3159,3159,3159,Not Available,ONC(=O)CCCP(O)(O)=O,,"4-Hydroxy-3,5-Dimethyl-5-(2-Methyl-Buta-1,3-Dienyl)-5h-Thiophen-2-One",DB02607
3160,3160,3160,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,,3-nitro-L-tyrosine,DB08837
3161,3161,3161,Not Available,OC(=O)CCCCCCCCCCOC(S)=O,,"2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione",DB15395
3162,3162,3162,Not Available,N[C@@H](CC1=CC(N)=C(O)C=C1O)C(O)=O,,SR-123781A,DB12836
3163,3163,3163,Not Available,[H][C@]1(C)O[C@@]([H])(OC2=CC=CC=C2[N+]([O-])=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,"6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE",DB11166
3164,3164,3164,Not Available,[H][C@]1(CN(C(=O)C1)C1=C(O)C=CC=C1)C(O)=O,,Diphenylacetic acid,DB07401
3165,3165,3165,Not Available,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)C(=O)N1,,Dimethyltryptamine,DB09223
3166,3166,3166,Ivacaftor is a cystic fibrosis transmembrane conductance regulator (CFTR) potentiator used alone or in combination products to treat cystic fibrosis in patients who have specific genetic mutations that are responsive to the medication.,CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C,,4-Phenyl-1h-Imidazole,DB03102
3167,3167,3167,Not Available,CC(C)C[C@H](N)C(=O)NO,,Atropine,DB01640
3168,3168,3168,Not Available,NC1=C(C2=C(N)N=C(N)N=C2C=C1)[Cl](=O)=O,,Bedoradrine,DB02023
3169,3169,3169,The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,,Vinylsulfonic acid,DB02492
3170,3170,3170,Not Available,CCNC(=O)C1=NNC(=C1N1CCNCC1)C1=CC(Cl)=C(O)C=C1O,,FR230513,DB00909
3171,3171,3171,Not Available,[H]N([H])C(=O)C1=C(\C=C\C(=O)N(CC2=NC3=C(C=C2)N([H])C(=NC3=O)N([H])[H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Amrubicin,DB11800
3172,3172,3172,Fostamatinib is a spleen tyrosine kinase inhibitor used to treat chronic immune thrombocytopenia after attempting one other treatment.,COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC,,Encorafenib,DB03301
3173,3173,3173,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC=C1,,2-Amino-Vinyl-Phosphate,DB08097
3174,3174,3174,Not Available,CCCCC(=O)OC[C@H](CO[P@@]([S-])(=S)OCC[N+](C)(C)C)OC(=O)CCCC,,N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE,DB09221
3175,3175,3175,"INS316 belongs to the family of drugs called nucleoside triphosphates.It is studied in the diagnosis of lung diseases, including lung cancer. It is selective P2y2 receptor antagonists claimed to be useful as anti-inflammatory agents.",,,Dofequidar,DB00817
3176,3176,3176,Not Available,OC(=O)C1=CC=CC(O)=C1C(=O)C1=C(O)C=C(C=C1O)C(=O)O[C@@H]1CCCNC[C@@H]1NC(=O)C1=CC=C(O)C=C1,,Talmapimod,DB01649
3177,3177,3177,Not Available,CC(C)N(C(=O)C1=C(Cl)C=C(Cl)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O,,4-amino-N-[4-(benzyloxy)phenyl]butanamide,DB07687
3178,3178,3178,Orlistat is a reversible inhibitor of gastrointestinal lipases indicated for weight loss and weight maintenance.,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,,"3,4-Dihydro-5-Methyl-Isoquinolinone",DB04488
3179,3179,3179,Sotagliflozin is an orally administered dual SGLT1/2 inhibitor used alongside insulin to improve glycemic control in patients with type 1 diabetes mellitus.,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)C=C1,,"4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE",DB03772
3180,3180,3180,Not Available,NC(=O)CC1=CNC2=CC=CC=C12,,6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL,DB00468
3181,3181,3181,Not Available,C[Hg]SC[C@@H](N)C(O)=O,,"L-709,587",DB06325
3182,3182,3182,Not Available,[H]N([H])C(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,[Methylthio]Acetate,DB01565
3183,3183,3183,Not Available,[H][C@@](CS(=O)(=O)C[C@]1([H])CCC(=O)N1)(N[C@@]([H])(C1=CC=C(F)C=C1)C(F)(F)F)C(=O)NC1(CC1)C#N,,"(1R,2S)-2-Phenylcyclopropanaminium",DB06203
3184,3184,3184,Not Available,NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1,,beta-D-fucose,DB02271
3185,3185,3185,Not Available,[H][C@]1(COP(O)(=O)OCCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,[(1S)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron,DB00045
3186,3186,3186,Not Available,OC1=CC(O)=C2C(CC(=O)CCCCC\C=C\CCOC2=O)=C1Cl,,Vitamin B6 Complexed with 2-Amino-Pentanoic Acid,DB09047
3187,3187,3187,Saccharin is a non-nutritive artificial sweetener for sweetening foods and drinks.,O=C1NS(=O)(=O)C2=C1C=CC=C2,,5-FLUOROINDOLE PROPANOL PHOSPHATE,DB07911
3188,3188,3188,Dexbrompheniramine is an antihistamine used to treat allergy symptoms including upper respiratory tract symptoms.,CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C1=CC=CC=N1,,Apadamtase alfa,DB00310
3189,3189,3189,"KP-1461 is a potent, non-chain-terminating, mutagenic deoxyribonucleoside analogue. Designated a DNA covert nucleoside, the drug consists of a modified base that incorporates randomly into HIV and pairs with multiple bases.",CCCCCCCOC(=O)NC1=NC(=O)N(CN1)[C@H]1C[C@H](O)[C@@H](CO)O1,,Sphingosine,DB13581
3190,3190,3190,"Encenicline has been investigated for the treatment of Cognition, Schizophrenia, Alzheimer's Disease, Cardiac Repolarization, and Central Nervous System Diseases.",ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2,,Tosedostat,DB04856
3191,3191,3191,"Cilomilast (Ariflo, SB-207,499) is a drug which was developed for the treatment of respiratory disorders such as asthma and Chronic Obstructive Pulmonary Disease (COPD). It is orally active and acts as a selective Phosphodiesterase-4 inhibitor. Following four clinical trials, the drug proved to be effective in treating COPD, however it has never been marketed due to a poor side effect profile.",COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N,,Dichlorobenzyl alcohol,DB12498
3192,3192,3192,Not Available,OC(=O)CC1=C(O)C2=C(CC3=C(C(O)=CC=C3)C2=O)C=C1,,[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate,DB04365
3193,3193,3193,Not Available,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo],,"1-deoxy-1-{2,6,8-trioxo-7-[4-(phosphonooxy)butyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol",DB00217
3194,3194,3194,Phosphatidyl serine is a nutrient used in some supplement products.,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC,,Sulfametopyrazine,DB01309
3195,3195,3195,Not Available,[H][C@](N)(CS)CC(O)=O,,Moxidectin,DB08936
3196,3196,3196,Not Available,OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,,Pentoxifylline,DB02648
3197,3197,3197,Not Available,[H][C@@]1(CCN(CC2=CC3=C(C=CN=C3N)C=C2)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,,5-Phosphoarabinonic Acid,DB07320
3198,3198,3198,"HGS-TR2J is a novel agonistic human monoclonal antibody to TRAIL Receptor 2, in patients with advanced solid malignancies. It is developed by Human Genome Sciences, Inc and is under Phase I of clinical trial.",,,"N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide",DB01119
3199,3199,3199,Not Available,[O-]P=O,,Niraxostat,DB09205
3200,3200,3200,"CVT-6883 is a selective, potent and orally available A2B-adenosine receptor antagonist which CV Therapeutics is investigating for the potential treatment of asthma and other conditions related to inflammation and fibrosis.",CCCN1C(=O)N(CC)C2=C(NC(=N2)C2=CN(CC3=CC=CC(=C3)C(F)(F)F)N=C2)C1=O,,Cefotetan,DB07755
3201,3201,3201,"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline is a solid. This compound belongs to the isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. This medication is known to target mitogen-activated protein kinase 10.",COC1=CC2=C(C=C1Cl)C(=NCC2)C1=CC=CC(Br)=C1,,Tetrastearoyl cardiolipin,DB04846
3202,3202,3202,Not Available,OC(=O)C1=CC=CC(=N1)C(O)=O,,Glembatumumab vedotin,DB03488
3203,3203,3203,Not Available,[H][C@@]1(O)CN(C)C2=CC(=O)C(=O)C=C12,,"(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one",DB06891
3204,3204,3204,Not Available,[H][C@]1(N)CCN(C[C@@]1([H])C1=CC(C)=CC=C1)C1=CC(OC)=C(OC)C=C1,,Noscapine,DB00711
3205,3205,3205,"Rhein is an anthraquinone metabolite of rheinanthrone and senna glycoside is present in many medicinal plants including Rheum palmatum, Cassia tora, Polygonum multiflorum, and Aloe barbadensis 1. It is known to have hepatoprotective, nephroprotective, anti-cancer, anti-inflammatory, and several other protective effects.",OC(=O)C1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O)C2=O,,Niraparib,DB01842
3206,3206,3206,"Nalbuphine is an opioid agonist-antagonist used to treat pain, for pre and postoperative analgesia, and for analgesia in labor and delivery.",O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5,,Brotizolam,DB06362
3207,3207,3207,Not Available,C1O[C@@H]1C1=CC=CC=C1,,Propantheline,DB07159
3208,3208,3208,Not Available,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@H]2CCCN2C)C2=CC=CC=C12,,Norethynodrel,DB03183
3209,3209,3209,"Thonzonium is a cationic surfactant used to disperse exudate and cellular debris, as well as enhance the penetration of antimicrobials.",CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(OC)C=C1)C1=NC=CC=N1,,Practolol,DB02079
3210,3210,3210,Not Available,[H][C@@](CC(C)C)(NC(=O)[C@@]([H])(CC1=C2C=CC=CC2=CC=C1)NC(=O)N1CCOCC1)B(O)O,,RU82197,DB07363
3211,3211,3211,Brotizolam is a benzodiazepine analogue with sedative-hypnotic properties used for short-term treatment of severe or debilitating insomnia.,CC1=NN=C2CN=C(C3=C(SC(Br)=C3)N12)C1=CC=CC=C1Cl,,(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid,DB16678
3212,3212,3212,Not Available,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=C(Cl)C=C(F)C=C1)S(C)(=O)=O,,DG031,DB16630
3213,3213,3213,Ferric pyrophosphate is an iron replacement product. Free iron presents several side effects as it can catalyze free radical formation and lipid peroxidation as well as the presence of interactions of iron in plasma. The ferric ion is strongly complexed by pyrophosphate.1 It presents an increasing interest as this insoluble form can be milder in the gastrointestinal tract and present higher bioavailability.10,[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O,,Methotrexate,DB01650
3214,3214,3214,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@H]1O,,Iloprost,DB08862
3215,3215,3215,"5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.",O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,,Cinchocaine,DB05416
3216,3216,3216,Not Available,N[C@@H](CSCC(N)=O)C(O)=O,,"2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione",DB06869
3217,3217,3217,Fludarabine is a purine analog antimetabolite that inhibits DNA synthesis.,NC1=NC(F)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,,Tipifarnib,DB03531
3218,3218,3218,Riociguat is a stimulator of soluble guanylate cyclase indicated for the management of persistent or recurrent chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension.,COC(=O)N(C)C1=C(N)N=C(N=C1N)C1=NN(CC2=C(F)C=CC=C2)C2=C1C=CC=N2,,Glutathione sulfonic acid,DB07661
3219,3219,3219,Not Available,ClC1=CC=C(CNC2=NC3=C(C=NN3C(NC3=CC=CC=C3)=N2)C#N)C=C1,,Lithium succinate,DB06967
3220,3220,3220,Dapivirine has been investigated for the prevention of HIV-1 Infections and Topical Penile Exposures.,CC1=CC(C)=C(NC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C1,,"(2,2-DIPHOSPHONOETHYL)(DODECYL)DIMETHYLPHOSPHONIUM",DB04448
3221,3221,3221,Not Available,COC(=O)[C@@H](C)C1=CC=C(C(F)=C1)C1=CC=CC=C1,,TU-514,DB03190
3222,3222,3222,Not Available,COC1=CC(=CC(OC)=C1OC)C(C)(C)C#CC1=C(C)N=C(N)N=C1N,,Benzenesulfinic acid,DB04674
3223,3223,3223,Tiotropium is a long-acting bronchodilator used in the management of chronic obstructive pulmonary disease (COPD).,[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1,,"4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL",DB07553
3224,3224,3224,Not Available,OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1,,Ethionamide,DB03661
3225,3225,3225,"Pentobarbital is a barbiturate drug used to induce sleep, cause sedation, and control certain types of seizures.",CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,,4-Imino-5-methidyl-2-trifluoromethylpyrimidine,DB02859
3226,3226,3226,Mitiglinide is a drug for the treatment of type 2 diabetes. It may stimulate insulin secretion in beta-cells by closing off ATP dependant potassium ion channels.,[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C(O)=O,,"N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE",DB01915
3227,3227,3227,Arundic acid has been investigated for the treatment of Amyotrophic Lateral Sclerosis (ALS).,CCCCCC[C@@H](CCC)C(O)=O,,GEM-231,DB08995
3228,3228,3228,Chlorpheniramine is a histamine-H1 receptor antagonist indicated for the management of symptoms associated with upper respiratory allergies.,CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1,,N-Benzyl-4-Sulfamoyl-Benzamide,DB03185
3229,3229,3229,Not Available,[H][C@](CC)(C1=CC=CC=C1)C1=C(O)C2=C(CCCCCC2)OC1=O,,PA-1050040,DB03300
3230,3230,3230,Levocetirizine is an H1-receptor antagonist used to treat symptoms associated with chronic allergic rhinitis and uncomplicated cases of chronic idiopathic urticaria.,OC(=O)COCCN1CCN(CC1)[C@H](C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,Felbamate,DB04809
3231,3231,3231,Not Available,CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC,,Ridogrel,DB03890
3232,3232,3232,Not Available,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C(Br)=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,,"7-amino-2-tert-butyl-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidine-6-carboxamide",DB12377
3233,3233,3233,"5'-Adenylic acid, monoanhydride with imidodiphosphoric acid. An analog of ATP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It is a potent competitive inhibitor of soluble and membrane-bound mitochondrial ATPase and also inhibits ATP-dependent reactions of oxidative phosphorylation. [PubChem]",NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)NP(O)(O)=O)[C@H](O)[C@H]1O,,Demeclocycline,DB05299
3234,3234,3234,"Estradiol is an estrogenic steroid used to treat vasomotor symptoms of vulvar and vaginal atrophy in menopause, hypoestrogenism, prevention of postmenopausal osteoporosis, treatment of breast cancer, and advanced androgen-dependent carcinoma of the prostate.",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,"3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA",DB07736
3235,3235,3235,Not Available,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=CC2=NC=NN12,,Bioymifi,DB04672
3236,3236,3236,Angiotensin II is a peptide hormone of the RAAS system used to raise blood pressure in septic or other forms of shock.,,,Foreskin keratinocyte (neonatal),DB06322
3237,3237,3237,Not Available,[H][C@@]1(C[C@@]1([H])C(=O)NC1=CC(F)=CC=C1F)C(O)=O,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,3,4-Benzothiazole",DB07981
3238,3238,3238,Not Available,[H]N([C@H](CC(=O)N([H])C1=NN([H])C(=S)S1)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,,NAM NAPTHYLAMINOALANINE,DB05295
3239,3239,3239,Not Available,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC,,Naphazoline,DB08336
3240,3240,3240,Not Available,O=C1NC=NC2=C1NC=C2,,"5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole",DB00610
3241,3241,3241,Not Available,CC1=NC(OC2=CC=C(C=C2)N2C=CN=C2)=NC(OC2=CC3=C(OCO3)C=C2)=C1,,"(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-4-YLAMINO)-ACETIC",DB11712
3242,3242,3242,Ethotoin is a hydantoin antiepileptic used to control tonic-clonic and complex partial seizures.,CCN1C(=O)NC(C1=O)C1=CC=CC=C1,,Zolmitriptan,DB04083
3243,3243,3243,Triethylene glycol dimethyl ether (also called triglyme) is a glycol ether used as a solvent.,COCCOCCOCCOC,,Sufentanil,DB00456
3244,3244,3244,"Bevantolol is a beta-1 adrenoceptor antagonist that has been shown to be as effective as other beta blockers for the treatment of angina pectoris and hypertension. Mechanism of Action Animal experiments confirm both agonist and antagonist effects on alpha-receptors, in addition to antagonist activity at beta-1 receptors.",COC1=C(OC)C=C(CCNCC(O)COC2=CC=CC(C)=C2)C=C1,,4-Oxosebacic Acid,DB05260
3245,3245,3245,Not Available,OC1=CC2=C(C(O)=C1)C(=O)C=C(O)C2=O,,Gliclazide,DB01723
3246,3246,3246,Clofedanol is an antitussive used for the symptomatic relief of acute cough caused by minor throat and bronchial irritation.,CN(C)CCC(O)(C1=CC=CC=C1)C1=CC=CC=C1Cl,,"SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER",DB07410
3247,3247,3247,"XEN-2174 is a synthetic drug modeled on a peptide from the venom of a cone shell found on Australia's Great Barrier Reef. XEN-2174 represents a new class of molecules, called the chi conopeptides that selectively inhibit the Norepinephrine Transporter (NET). NET is the primary mechanism regulating the biological effects of norepinephrine (NE) on the body. In episodes of pain, inhibition of NET by XEN-2174 elevates the levels of NE leading to the activation of inhibitory pathways preventing pain signals from reaching the brain.",,,(2Z)-3-{[Oxido(oxo)phosphoranyl]oxy}-2-phenylacrylate,DB02951
3248,3248,3248,"Antihemophilic factor, human recombinant is a form of recombinant coagulation Factor VIII used to treat hemophilia A, von Willebrand disease, and Factor XIII deficiency.",,ATRRYYLGAVELSWDYMQSDLGELPVDARFPPRVPKSFPFNTSVVYKKTLFVEFTDHLFNIAKPRPPWMGLLGPTIQAEVYDTVVITLKNMASHPVSLHAVGVSYWKASEGAEYDDQTSQREKEDDKVFPGGSHTYVWQVLKENGPMASDPLCLTYSYLSHVDLVKDLNSGLIGALLVCREGSLAKEKTQTLHKFILLFAVFDEGKSWHSETKNSLMQDRDAASARAWPKMHTVNGYVNRSLPGLIGCHRKSVYWHVIGMGTTPEVHSIFLEGHTFLVRNHRQASLEISPITFLTAQTLLMDLGQFLLFCHISSHQHDGMEAYVKVDSCPEEPQLRMKNNEEAEDYDDDLTDSEMDVVRFDDDNSPSFIQIRSVAKKHPKTWVHYIAAEEEDWDYAPLVLAPDDRSYKSQYLNNGPQRIGRKYKKVRFMAYTDETFKTREAIQHESGILGPLLYGEVGDTLLIIFKNQASRPYNIYPHGITDVRPLYSRRLPKGVKHLKDFPILPGEIFKYKWTVTVEDGPTKSDPRCLTRYYSSFVNMERDLASGLIGPLLICYKESVDQRGNQIMSDKRNVILFSVFDENRSWYLTENIQRFLPNPAGVQLEDPEFQASNIMHSINGYVFDSLQLSVCLHEVAYWYILSIGAQTDFLSVFFSGYTFKHKMVYEDTLTLFPFSGETVFMSMENPGLWILGCHNSDFRNRGMTALLKVSSCDKNTGDYYEDSYEDISAYLLSKNNAIEPRSFSQNSRHPSTRQKQFNATTIPENDIEKTDPWFAHRTPMPKIQNVSSSDLLMLLRQSPTPHGLSLSDLQEAKYETFSDDPSPGAIDSNNSLSEMTHFRPQLHHSGDMVFTPESGLQLRLNEKLGTTAATELKKLDFKVSSTSNNLISTIPSDNLAAGTDNTSSLGPPSMPVHYDSQLDTTLFGKKSSPLTESGGPLSLSEENNDSKLLESGLMNSQESSWGKNVSSTESGRLFKGKRAHGPALLTKDNALFKVSISLLKTNKTSNNSATNRKTHIDGPSLLIENSPSVWQNILESDTEFKKVTPLIHDRMLMDKNATALRLNHMSNKTTSSKNMEMVQQKKEGPIPPDAQNPDMSFFKMLFLPESARWIQRTHGKNSLNSGQGPSPKQLVSLGPEKSVEGQNFLSEKNKVVVGKGEFTKDVGLKEMVFPSSRNLFLTNLDNLHENNTHNQEKKIQEEIEKKETLIQENVVLPQIHTVTGTKNFMKNLFLLSTRQNVEGSYDGAYAPVLQDFRSLNDSTNRTKKHTAHFSKKGEEENLEGLGNQTKQIVEKYACTTRISPNTSQQNFVTQRSKRALKQFRLPLEETELEKRIIVDDTSTQWSKNMKHLTPSTLTQIDYNEKEKGAITQSPLSDCLTRSHSIPQANRSPLPIAKVSSFPSIRPIYLTRVLFQDNSSHLPAASYRKKDSGVQESSHFLQGAKKNNLSLAILTLEMTGDQREVGSLGTSATNSVTYKKVENTVLPKPDLPKTSGKVELLPKVHIYQKDLFPTETSNGSPGHLDLVEGSLLQGTEGAIKWNEANRPGKVPFLRVATESSAKTPSKLLDPLAWDNHYGTQIPKEEWKSQEKSPEKTAFKKKDTILSLNACESNHAIAAINEGQNKPEIEVTWAKQGRTERLCSQNPPVLKRHQREITRTTLQSDQEEIDYDDTISVEMKKEDFDIYDEDENQSPRSFQKKTRHYFIAAVERLWDYGMSSSPHVLRNRAQSGSVPQFKKVVFQEFTDGSFTQPLYRGELNEHLGLLGPYIRAEVEDNIMVTFRNQASRPYSFYSSLISYEEDQRQGAEPRKNFVKPNETKTYFWKVQHHMAPTKDEFDCKAWAYFSDVDLEKDVHSGLIGPLLVCHTNTLNPAHGRQVTVQEFALFFTIFDETKSWYFTENMERNCRAPCNIQMEDPTFKENYRFHAINGYIMDTLPGLVMAQDQRIRWYLLSMGSNENIHSIHFSGHVFTVRKKEEYKMALYNLYPGVFETVEMLPSKAGIWRVECLIGEHLHAGMSTLFLVYSNKCQTPLGMASGHIRDFQITASGQYGQWAPKLARLHYSGSINAWSTKEPFSWIKVDLLAPMIIHGIKTQGARQKFSSLYISQFIIMYSLDGKKWQTYRGNSTGTLMVFFGNVDSSGIKHNIFNPPIIARYIRLHPTHYSIRSTLRMELMGCDLNSCSMPLGMESKAISDAQITASSYFTNMFATWSPSKARLHLQGRSNAWRPQVNNPKEWLQVDFQKTMKVTGVTTQGVKSLLTSMYVKEFLISSSQDGHQWTLFFQNGKVKVFQGNQDSFTPVVNSLDPPLLTRYLRIHPQSWVHQIALRMEVLGCEAQDLY,Cusatuzumab,DB02254
3249,3249,3249,Not Available,CCCCCCCCCC1=[N+]([O-])C2=CC=CC=C2C(O)=C1,,Bromopride,DB08664
3250,3250,3250,Not Available,[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C=C1)C(C)C)C(=O)N[C@]([H])(CC(C)C)C(=O)OC,,Aliskiren,DB01932
3251,3251,3251,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,,Bisindolylmaleimide I,DB09067
3252,3252,3252,Not Available,FC(F)(F)C1=CC=C(C[C@H]2SC(=S)NC2=O)C=C1,,(2R)-2-ETHYL-1-HEXANESULFONIC ACID,DB04749
3253,3253,3253,Alendronic acid is a bisphosphonate drug that prevents osteoclastic bone resorption which is used for the prevention and treatment of osteoporosis.,NCCCC(O)(P(O)(O)=O)P(O)(O)=O,,Rivastigmine,DB03856
3254,3254,3254,Not Available,NC1=NC=C(O1)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1,,LGD-1550,DB08619
3255,3255,3255,Memantine is an NMDA receptor antagonist used to treat moderate to severe dementia in Alzheimer's.,CC12CC3CC(C)(C1)CC(N)(C3)C2,,Fluphenazine,DB06436
3256,3256,3256,Pivampicillin is an ampicillin prodrug used to treat a variety of infections.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C,,Norgestimate,DB02892
3257,3257,3257,Not Available,NCC1=CNC2=C1C(=O)NC(N)=N2,,N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide,DB01862
3258,3258,3258,"Cixutumumab has been used in trials studying the treatment of Lung Cancer, Malignant Neoplasm, Leukemia, Mast-Cell, Non-Small-Cell Lung Carcinoma, and Adenocarcinoma of the Prostate.",,,3-Phosphono-D-alanine,DB02762
3259,3259,3259,"Lesopitron is an anxiolytic with pre- and post-synaptic 5-HT1A agonist activity, which is under development by Esteve.",ClC1=CN(CCCCN2CCN(CC2)C2=NC=CC=N2)N=C1,,7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE,DB06677
3260,3260,3260,Not Available,[H][C@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)NO,,"N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE",DB02256
3261,3261,3261,Not Available,FC1=CC=C(C=C1)C1=NNC=C1C1=CC=NC=C1,,"1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine",DB08836
3262,3262,3262,"5-methyltetrahydrofolic acid is a methylated derivate of tetrahydrofolate. It is generated by methylenetetrahydrofolate reductase from 5,10-methylenetetrahydrofolate and used to recycle homocysteine back to methionine by 5-methyltetrahydrofolate-homocysteine methyltransferases (also called methionine synthases).",CN1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2,,Crotalus adamanteus antivenin,DB14520
3263,3263,3263,Not Available,[H][C@](N)(CC1=CC=CC=C1)C(O)[C@@]([H])(N)CC1=CC=CC=C1,,"4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID",DB16310
3264,3264,3264,"Muromonab is a monoclonal anti-CD3 antibody used as immunosuppressive therapy in kidney, heart, and liver transplant patients.",,QIVLTQSPAIMSASPGEKVTMTCSASSSVSYMNWYQQKSGTSPKRWIYDTSKLASGVPAHFRGSGSGTSYSLTISGMEAEDAATYYCQQWSSNPFTFGSGTKLEINRADTAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC,Piflufolastat F 18,DB08488
3265,3265,3265,Clemastine is an antihistamine with sedative and anticholinergic effects used to treat the symptoms of allergic rhinitis.,CN1CCC[C@@H]1CCO[C@](C)(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,mu4-sulfido-quadro-tetracopper,DB03734
3266,3266,3266,Not Available,OC(=O)[C@@]1(O)OC2=CC=CC=C2C=C1,,Anthranilic acid,DB00656
3267,3267,3267,Not Available,OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N,,MK-4721,DB06406
3268,3268,3268,Not Available,C[N+](C)(C)CCS,,Acetylphosphate,DB16684
3269,3269,3269,Butyrfentanyl is a methylated fentanyl analog with no clinical indications but is commonly used as a recreational drug.,CCCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1,,Hyperforin,DB03814
3270,3270,3270,"Mocetinostat has been used in trials studying the treatment of Lymphoma, Urothelial Carcinoma, Relapsed and Refractory, Myelodysplastic Syndrome, and Metastatic Leiomyosarcoma, among others.",NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1,,Threonine-Aspartic Ester,DB03328
3271,3271,3271,Cloxacillin is an antibiotic agent used for the treatment of beta-hemolytic streptococcal and pneumococcal infections as well as staphylococcal infections.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=CC=CC=C1Cl)C(O)=O,,6-hydroxyuridine-5'-phosphate,DB02462
3272,3272,3272,Eritoran is a structural analogue of the lipid A portion of lipopolysaccharide (LPS). It is being developed by Eisai Research Institute of Boston for the treatment of severe sepsis.,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC,,Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Octyl-Amide,DB00672
3273,3273,3273,Not Available,NC1=CC=CC(=C1)C1=C2N=C(NC3=CC=CC(Cl)=C3)C=CN2N=C1,,S-Ethylisothiourea,DB05228
3274,3274,3274,Not Available,[H][C@@]1(O)OC(=C[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O)C(O)=O,,Vortioxetine,DB06212
3275,3275,3275,Not Available,COC1=CC(CN2C(=CC3=C2C=CC=C3)C(=O)NC2CCN(CC2)C(C)C)=CC=C1,,L-naphthyl-1-acetamido boronic acid alanine,DB14019
3276,3276,3276,Not Available,N[C@@H](CCSC(F)(F)F)C(O)=O,,"(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid",DB00694
3277,3277,3277,"Benzodiazepine is under investigation for the prevention of Delirium and C.Surgical Procedure; Cardiac. Benzodiazepine has been investigated for the treatment of Obesity, Sleep Apnea, Obstructive, and Disorders of Gallbladder, Biliary Tract and Pancrease.",N1N=CC=CC2=CC=CC=C12,,Clazosentan,DB02889
3278,3278,3278,Not Available,CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C,,Ingenol mebutate,DB02345
3279,3279,3279,Not Available,CC(=O)NCCC1=CNC2=C1C=C(O)C=C2,,Saxagliptin,DB02933
3280,3280,3280,Not Available,OC(=O)C1=CC(S)=CC=C1[N+]([O-])=O,,gamma-carboxy-L-glutamic acid,DB02661
3281,3281,3281,"KAI-1455 is a selective epsilon protein kinase C (εPKC) activator designed to reduce ischemic organ injury during procedures where blood supply may be compromised, such as coronary artery bypass grafting (CABG), congenital cardiac defect repair, and hip replacement and may protect against renal injury associated with contrast media. Several studies have demonstrated that epsilon PKC plays a key role in cytoprotection during periods of ischemia. In preclinical studies, KAI-1455 showed a dramatic reduction in infarct size when delivered prior to the ischemic insult.",,,"(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID",DB05966
3282,3282,3282,Not Available,CCOC(=O)NCCCNC(=O)OCC,,SLx-4090,DB00453
3283,3283,3283,Not Available,CCOC(=O)C1=C(\C(=C/N)C#N)C2=C(N1C)C(Cl)=C(Cl)C=C2,,5-Amidino-Benzimidazole,DB00480
3284,3284,3284,Garetosmab is a human IgG4κ anti-Activin A antibody under investigation for the management of fibrodysplasia ossificans progressiva.,,,"Ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate",DB00536
3285,3285,3285,"Naphazoline is a sympathomimetic vasoconstrictor used for the symptomatic relief of redness and itching of the eye, and nasal congestion.",C(C1=NCCN1)C1=CC=CC2=CC=CC=C12,,4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE,DB02621
3286,3286,3286,Not Available,COCCNC1=CC(=CC=C1C(N)=O)N1C2=C(C3=CC=CC=C13)C(=O)CCC2,,Ivarmacitinib,DB02143
3287,3287,3287,Abacavir is an antiviral nucleoside reverse transcriptase inhibitor used in combination with other antiretrovirals for the treatment of HIV.,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1,,Tralokinumab,DB02276
3288,3288,3288,Not Available,CNC(=O)CC[C@H](N)C(O)=O,,4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID,DB04269
3289,3289,3289,Not Available,[H][C@@](O)([C@@]([H])(O)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC)[C@@]([H])(OCC1=CC=C(C=C1)C1=CN=CC=C1)C(O)=N[C@@]([H])(C(C)C)C(O)=NC,,3-(5-methoxy-1H-indol-3-yl)propanoic acid,DB04568
3290,3290,3290,Not Available,[H]N([C@@H](CCC(O)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)CCCCCCC1=CC=CC=C1,,P54,DB00599
3291,3291,3291,Not Available,NC1=NC2=C(N3[C@@H](COC3=O)CN2)C(=O)N1,,"N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide",DB06884
3292,3292,3292,Not Available,[H][C@](C)(CC)[C@@]([H])(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,,NN344,DB01206
3293,3293,3293,"Antipyrine is an antipyretic agent used for the symptomatic treatment of acute otitis media, most commonly in combination with benzocaine.",CN1N(C(=O)C=C1C)C1=CC=CC=C1,,2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE,DB12520
3294,3294,3294,"Abexinostat has been used in trials studying the treatment of Sarcoma, Lymphoma, Leukemia, Lymphocytic, and Hodgkin Disease, among others. It is a novel, broad-spectrum hydroxamic acid-based inhibitor of histone deacetylase (HDAC) with potential antineoplastic activity.",CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC1=CC=C(C=C1)C(=O)NO,,Rivaroxaban,DB07507
3295,3295,3295,Lercanidipine is a calcium channel blocker for the management of hypertension.,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1,,Regadenoson,DB02941
3296,3296,3296,Not Available,[H][C@]1(O)CO[C@]([H])(COP(O)(O)=O)[C@]1([H])O,,Malachite Green,DB03929
3297,3297,3297,Veliflapon is under investigation in clinical trial NCT00353067 (Veliflapon (Dg-031)to Prevent Heart Attacks or Stroke in Patients With a History of Heart Attack or Unstable Angina).,OC(=O)[C@H](C1CCCC1)C1=CC=C(OCC2=NC3=C(C=CC=C3)C=C2)C=C1,,"4-(Aminosulfonyl)-N-[(2,5-Difluorophenyl)Methyl]-Benzamide",DB13092
3298,3298,3298,Not Available,ONC(=O)\C=C\C1=CC=C(Cl)C=C1,,3-(Oxalyl-Amino)-Naphthalene-2-Carboxylic Acid,DB04034
3299,3299,3299,Not Available,CC1=C(C2=CC3=C(C=C2)N=C(N)N=C3)C(=O)N(C=C1)C1=CC(=CC=C1)C(F)(F)F,,"2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL",DB00269
3300,3300,3300,Not Available,CC(CN1C=CN=N1)([C@@H](N\C=C/C=O)C(O)=O)S([O-])=O,,Thiocitrulline,DB00017
3301,3301,3301,Not Available,CC(C)[C@@H](NC(N)=O)C(O)=O,,"2-HYDROXY-3,5-DIIODOBENZOIC ACID",DB01091
3302,3302,3302,M0002 is an orally-active selective vasopressin antagonist that inhibits water re-absorption from the kidneys. It is a vasopressin 2 antagonist and represents a new class of compounds – aquaretics – that produce profound diuresis without loss of electrolytes. It will be of major benefit to those patients not responding satisfactorily to diuretics alone.,,,Patent Blue,DB00972
3303,3303,3303,Not Available,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(C)=O,,"(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",DB04204
3304,3304,3304,Not Available,COC1=CC(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C(OC)C=C1,,"D-Gluco-2,5-Anhydro-1-Deoxy-1-Phosphonohexitol-6-Phosphate",DB06042
3305,3305,3305,Not Available,CCCCN1C(CC2=CC=CC(OC)=C2)=NC2=C(N)N=CN=C12,,"4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE",DB00979
3306,3306,3306,Not Available,COC1=C(CC(C)C)N=CC=N1,,Lorlatinib,DB01786
3307,3307,3307,Polatuzumab vedotin is a CD79b antibody conjugate indicated to treat different types of large B-cell lymphoma.,,,Amiloride,DB02773
3308,3308,3308,Not Available,[H][C@]1(CC[C@](C)(CCC#CC(O)(C(F)(F)F)C(F)(F)F)C1(C)C)\C=C\C=C1C[C@](O)([H])C[C@@](O)([H])C1,,Duvelisib,DB00486
3309,3309,3309,"SNS-314 is a potent and selective inhibitor of Aurora kinases A, B, and C. Proliferating cells treated with SNS-314 bypass the mitotic spindle checkpoint and fail to undergo cytokinesis, leading to multiple rounds of endoreduplication and eventually cell death. SNS-314 inhibits tumor growth in a variety of preclinical models, and it is now being tested in single agent Phase 1 studies in patients with advanced solid tumours.",ClC1=CC=CC(NC(=O)NC2=NC=C(CCNC3=C4SC=CC4=NC=N3)S2)=C1,,Nomifensine,DB01901
3310,3310,3310,"Clodronic acid is a bisphosphonate used to treat osteoporosis in postmenopausal women, hypercalcemia of malignancy, and osteolysis.",OP(O)(=O)C(Cl)(Cl)P(O)(O)=O,,Clomethiazole,DB03125
3311,3311,3311,A sympathomimetic drug used primarily as an appetite depressant. Its actions and mechanisms are similar to dextroamphetamine.,CC1NCCOC1C1=CC=CC=C1,,VX-765,DB07506
3312,3312,3312,Not Available,CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,,D-Lysine,DB01920
3313,3313,3313,Not Available,CC[C@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12,,11-Deoxy-Beta-Rhodomycin,DB15496
3314,3314,3314,Not Available,CCCOC1=CC(=CC=C1OC)[C@]1(C)CNC(=O)O1,,Di-Stearoyl-3-Sn-Phosphatidylethanolamine,DB12015
3315,3315,3315,Not Available,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2I,,"N-[4-(2-Methylimidazo[1,2-a]Pyridin-3-Yl)-2-Pyrimidinyl]Acetamide",DB08705
3316,3316,3316,Not Available,[H]N1C2=C(N(CCCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,,3-phospho-D-glyceric acid,DB07923
3317,3317,3317,"Budesonide is a corticosteroid used to treat Crohn's disease, asthma, COPD, hay fever and allergies, and ulcerative colitis.",[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,"S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGENTHIODIPHOSPHATE",DB03039
3318,3318,3318,A cephalorsporin antibiotic that is no longer commonly used.,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,,Ibalizumab,DB00315
3319,3319,3319,Not Available,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=C(C=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,,Dipyrromethane Cofactor,DB01463
3320,3320,3320,Not Available,NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1,,(R)-9b,DB08517
3321,3321,3321,"ATL1101 is a second-generation antisense drug designed to block the synthesis of the IGF-1 receptor, a protein involved in the regulation of cell overgrowth in psoriasis. ATL1101 is being developed as a cream for the topical treatment of mild to moderate cases of psoriasis.",,,"(4'-{[Allyl(Methyl)Amino]Methyl}-1,1'-Biphenyl-4-Yl)(4-Bromophenyl)Methanone",DB07602
3322,3322,3322,Levobupivacaine is a drug used for nerve block and anesthesia.,CCCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,,Tetrahydrogestrinone,DB04265
3323,3323,3323,Not Available,CNC1=NC(C)=C(S1)C1=CC=NC(NC2=CC=C(O)C=C2)=N1,,N-Carbamoyl-Alanine,DB00726
3324,3324,3324,"Cefamandole is a beta-lactam antibiotic used in the treatment of various infections caused by susceptible strains of bacteria, such as lower respiratory infections, urinary tract infections, skin infections, and bone and joint infections.",[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O,,Pirbuterol,DB11817
3325,3325,3325,Not Available,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@@]([H])(O)C2,,Fluticasone furoate,DB05227
3326,3326,3326,Not Available,NC1=NC2=C(C=C3N=C(NCCN4CCOCC4)NC3=C2)C(=O)N1,,Inosinic Acid,DB00290
3327,3327,3327,Clotiazepam is a thienodiazepine used to manage anxiety disorders and insomnia.,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl,,4'-Hydroxyflavanone,DB00149
3328,3328,3328,Not Available,CC(=O)OCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC(=O)C(C)(C)C,,KW-2450 free baseCommonly known or available as KW-2450,DB02714
3329,3329,3329,Dactinomycin is an actinomycin used to treat a wide variety of cancers.,[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)C1=C3N=C4C(OC3=C(C)C=C1)=C(C)C(=O)C(N)=C4C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]3([H])CCCN3C(=O)[C@H](NC1=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C,,(2R)-2-(3-Biphenylyl)-N-{(2R)-2-hydroxy-3-[(2-pyridinylsulfonyl)amino]propyl}-4-methylpentanamide,DB01577
3330,3330,3330,"Dyphylline is a theophylline derivative used to treat asthma, bronchospasm, and COPD.",CN1C2=C(N(CC(O)CO)C=N2)C(=O)N(C)C1=O,,ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE,DB11077
3331,3331,3331,"Galsulfase is a recombinant human enzyme used as replacement enzyme therapy for the treatment of of adults and children with Mucopolysaccharidosis VI, a rare genetic disorder caused by a deficiency of a lysosomal enzyme.",,SGAGASRPPHLVFLLADDLGWNDVGFHGSRIRTPHLDALAAGGVLLDNYYTQPLCTPSRSQLLTGRYQIRTGLQHQIIWPCQPSCVPLDEKLLPQLLKEAGYTTHMVGKWHLGMYRKECLPTRRGFDTYFGYLLGSEDYYSHERCTLIDALNVTRCALDFRDGEEVATGYKNMYSTNIFTKRAIALITNHPPEKPLFLYLALQSVHEPLQVPEEYLKPYDFIQDKNRHHYAGMVSLMDEAVGNVTAALKSSGLWNNTVFIFSTDNGGQTLAGGNNWPLRGRKWSLWEGGVRGVGFVASPLLKQKGVKNRELIHISDWLPTLVKLARGHTNGTKPLDGFDVWKTISEGSPSPRIELLHNIDPNFVDSSPCPRNSMAPAKDDSSLPEYSAFNTSVHAAIRHGNWKLLTGYPGCGYWFPPPSQYNVSEIPSSDPPTKTLWLFDIDRDPEERHDLSREYPHIVTKLLSRLQFYHKHSVPVYFPAQDPRCDPKATGVWGPWM,Levoleucovorin,DB04825
3332,3332,3332,Not Available,COC1=CC=C2N(C=NC2=C1)[C@H]1O[C@H](CO)[C@@H](O[P@]([OH-])(=O)O[C@H](C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)C3=[N+]4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co@@]457)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O)[C@H]1O,,5-Exo-Hydroxycamphor,DB03330
3333,3333,3333,Levamlodipine is a calcium channel blocker used to treat hypertension.,CCOC(=O)C1=C(COCCN)NC(C)=C([C@@H]1C1=CC=CC=C1Cl)C(=O)OC,,Rifapentine,DB16379
3334,3334,3334,"Oxybutynin is an antimuscarinic agent that reduces detrusor muscle activity, relaxing the bladder and preventing the urge to void.",CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,,"2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL",DB03456
3335,3335,3335,Not Available,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,,2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol,DB03564
3336,3336,3336,Not Available,[H]\C(CC)=C(/[H])C1=C(O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@]([H])(O)[C@@]4(C)CC[C@]3([H])C2=C1,,Ormeloxifene,DB03721
3337,3337,3337,Not Available,CNS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=N)NC1=O,,N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid,DB06821
3338,3338,3338,Potassium is a medication used to treat hypokalemic conditions and to clear the colon prior to colonoscopy.,[KH],,Penciclovir,DB02508
3339,3339,3339,The glycine conjugate of cholic acid. It acts as a detergent to solubilize fats for absorption and is itself absorbed.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC([O-])=O,,LY2140023,DB06842
3340,3340,3340,Not Available,NC1=CNC(=O)NC1=O,,N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID,DB01918
3341,3341,3341,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1)C(=O)N([H])CC(O)=O)C(O)=O,,"5-(2-hydroxyethyl)nonane-1,9-diol",DB02142
3342,3342,3342,Not Available,OC1=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O,,"7,8-dihydroxy-4-phenyl-2H-chromen-2-one",DB00641
3343,3343,3343,Not Available,CC1(C)N(O)C(C)(C)C(=C1CSS(C)(=O)=O)C1=CC=CC=C1,,Pasireotide,DB07824
3344,3344,3344,Febuxostat is a xanthine oxidase inhibitor used for the management of chronic hyperuricemia in adults with gout who have an inadequate response or intolerance to allopurinol.,CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N,,Retapamulin,DB09142
3345,3345,3345,Pitavastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and reduce the risk of cardiovascular disease including myocardial infarction and stroke.,O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O,,"4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE",DB09237
3346,3346,3346,5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole targets the protein genome polyprotein.,[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C(Cl)=C1,,Clodronic acid,DB14649
3347,3347,3347,Not Available,COC1=CC=C(C=C1)C1=C(C2=C(NCCO)N=CN=C2O1)C1=CC=C(OC)C=C1,,"6-Hydroxymethyl-7,8-Dihydropterin",DB15940
3348,3348,3348,Not Available,OC1=CC(=O)OC2=CC=CC=C12,,"2'-Deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]adenosine",DB06345
3349,3349,3349,Not Available,CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Linzagolix,DB05484
3350,3350,3350,Not Available,OC\C(C)=C\C=C\C(\C)=C/C=C/C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C,,Thio-Maltohexaose,DB08591
3351,3351,3351,Not Available,CSCC[C@H](N)P(O)(O)=O,,"2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID",DB16007
3352,3352,3352,Not Available,CCCCCCCCCCCCCCCOC(=O)CCCCCCC,,4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID,DB02923
3353,3353,3353,Not Available,[H]N([H])C(=O)CC[C@H](N([H])C(=O)[C@H](CC(=O)[C@H](CC1=CC=CC=C1)N([H])C(=O)OC(C)(C)C)CC1=CC=CC=C1)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(=O)N([H])[H],,Imipramine,DB07141
3354,3354,3354,Dalteparin is a low molecular weight heparin used for the prophylaxis of thrombotic events in certain patients and prevent acute cardiac ischemic events in patients with unstable angina and non-Q-wave myocardial infarction.,,,Elacridar,DB04997
3355,3355,3355,Not Available,[H][C@](O)(CCC(O)=O)NC1=CC=C(C=C1)N1C(=O)CCC1=O,,N-Succinyl Phenylglycine,DB03677
3356,3356,3356,"Moxidectin is a potent, broad-spectrum endectocide (antiparasitic that is active against endo- and ecto-parasites) with activity against nematodes, insects, and acari. It was first used in cattle followed by an approved use in general animals. It is a semi-synthetic methoxine derivative of nemadectin which is a 16-member pentacyclic lactone of the milbemycin class. Moxidectin differs by the absence of a disaccharide moiety on carbon 13, a substituted olefinic side chain at carbon 25 and a unique methoxime moiety at carbon 23. Due to these modifications, moxidectin is classified as a second generation macrocyclic lactone.1 Moxidectin was developed by Medicines Development for Global Health and FDA approved in June 13, 2018.7",[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@]4([H])C[C@@]([H])(C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O,,Fremanezumab,DB01113
3357,3357,3357,Not Available,[H]N=C([H])C(=C)CCC1=CC=C(F)C=C1,,"2,6-Diaminopimelic Acid",DB06725
3358,3358,3358,Not Available,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC1COC(C)(OC1)C(O)=O)C(O)=O,,Bromamphenicol,DB08014
3359,3359,3359,Not Available,CC(=O)OC1N=C(C2=CC=CC=C2)C2=CC(Cl)=CC=C2NC1=O,,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE,DB02652
3360,3360,3360,Aminobenzoic acid is a drug used to reduce the progression of penile deviation in Peyronie's Disease in adults.,NC1=CC=C(C=C1)C(O)=O,,Escitalopram,DB08216
3361,3361,3361,Cefpiramide is a third-generation cephalosporin antibiotic.,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O,,N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine,DB14512
3362,3362,3362,"Alverine is a smooth muscle relaxant used to relieve abdominal pain associated with gastrointestinal conditions like heartburn, flatulence, and Irritable Bowel Syndrome.",CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1,,"[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid",DB08228
3363,3363,3363,Stiripentol is an antiepileptic agent used in combination with other anticonvulsants to treat seizures associated with Dravet syndrome.,CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1,,N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine,DB07939
3364,3364,3364,Megestrol acetate is a progestin that is administered orally to treat anorexia and cachexia or serious unexplained weight loss and is also used as an antineoplastic agent to treat certain types of malignancy.,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=C(C)C2=CC(=O)CC[C@]12C,,"6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE",DB08021
3365,3365,3365,Not Available,OC1=C(C(=O)O\C1=C/C1=CC=CC2=CC=CC=C12)C1=CC=C(Cl)C=C1,,Rosiglitazone,DB01169
3366,3366,3366,Methdilazine is a phenothiazine compound with antihistaminic activity. It is used in the treatment of various dermatoses to relieve pruritus.,CN1CCC(CN2C3=CC=CC=C3SC3=CC=CC=C23)C1,,"6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-yl]amino}phenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one",DB03818
3367,3367,3367,Not Available,[H][C@@](O)(CO)CONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(I)C=C1Cl,,Carbazole,DB02647
3368,3368,3368,Not Available,N1(C(=O)C=CC1=O)CCC12[Fe]3456789%10C%11C3C4C5C6%11.C7(C8C19)C2%10,,Ofloxacin,DB08476
3369,3369,3369,"N-methyl-D-aspartate (NMDA) receptors (NMDARs) are members of the ionotropic glutamate receptor family, with key roles in brain development and neurological function.1,2 NMDARs are heterotetramers that typically involve a dimer of dimers of both GluN1 and GluN2A-D subunits, with each subunit itself composed of an N-terminal domain (NTD), a ligand-binding domain (LBD), a transmembrane domain, and a C-terminal cytoplasmic domain. Binding at the LBD of the agonists glycine (or D-serine) to the GluN1 subunits and of glutamate to the GluN2 subunits is a regulatory mechanism for channel activation. In addition, allosteric modulators are known to bind at the NTDs and form another layer of regulation.1,2 One such allosteric regulator is ifenprodil, which was first shown to bind the NMDARs in the 1990s, and specifically to those NMDARs containing the GluN2B subunit.3 Further studies elucidated that ifenprodil binds strongly at the inter-subunit interface of adjacent GluN1 and GluN2B NTDs, where it acts as a non-competitive antagonist.1,2",CC(C(O)C1=CC=C(O)C=C1)N1CCC(CC2=CC=CC=C2)CC1,,"2'-Deoxyuridine 5'-alpha,beta-imido-triphosphate",DB11087
3370,3370,3370,Not Available,CCCCN1C(CC2=CC(OC)=C(OC)C(OC)=C2)=NC2=C(N)N=CN=C12,,Aripiprazole,DB15593
3371,3371,3371,"Zotepine, with the formula (2-chloro-11-(2-dimethyl-amino-ethoxy)-dibenzo thiepin, is a neuroleptic drug. It was designed and synthesized by Fujisawa Pharmaceutical Co Ltd.1 It has been used as an antipsychotic in Japan, India and some places in Europe like UK and Germany since 1980's.2 Zotepine was never approved by the FDA. In 1993, it was classified as inactive drug substance (Status I, Type II) and in 1995 the FDA studied the manufacturing procedures of Zotepine tablets in Germany, but the status remained inactive.9 When the analysis of antipsychotics was retaken in 2016 by the FDA, zotepine did not reach the threshold effect to be further studied.10. In the EMA, by 2015 it was under pharmacovigilance studies for the potential treatment of acute renal failure.11",CN(C)CCOC1=CC2=CC=CC=C2SC2=CC=C(Cl)C=C12,,Levamlodipine,DB07664
3372,3372,3372,Not Available,N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O,,D-norleucine,DB08305
3373,3373,3373,Not Available,OC(=O)C1=C(O)C=C2C=CC(O)=CC2=C1,,N-Pyridoxyl-2-Methylalanine-5-Phosphate,DB16740
3374,3374,3374,Not Available,CC(C)(NC(=O)C1=CC=C2C(=C1)N1CCOC3=C(C=CC=C3)C1=C2C1CCCCC1)C(O)=O,,3-(7-hydroxy-8-ribityllumazine-6-yl) propionic acid,DB09517
3375,3375,3375,Zonisamide is a sulfonamide anticonvulsant used to treat partial seizures.,NS(=O)(=O)CC1=NOC2=CC=CC=C12,,"2-O-(4'-AMIDINOPHENYL)-5-O-(3''-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL",DB01831
3376,3376,3376,Not Available,CC1=NC=C(CO)C(N)=N1,,Pleconaril,DB01229
3377,3377,3377,Not Available,COC1=CC(=CC=C1)C1=CC(CC[C@]2(C)CC(=O)N(C)C(N)=N2)=CC=C1,,Tildrakizumab,DB02617
3378,3378,3378,Not Available,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(O)(O)C1=NC2=C(N1)C=C(C=C2)C([NH3+])=[NH2+],,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL",DB06754
3379,3379,3379,Pirodavir is an antipicornavirus agent.,CCOC(=O)C1=CC=C(OCCC2CCN(CC2)C2=CC=C(C)N=N2)C=C1,,Picric acid,DB08427
3380,3380,3380,Not Available,OP(O)(=O)OC1=C(C=O)C=CC=C1,,beta-Hydroxyasparagine,DB08160
3381,3381,3381,"Vindesine is a vinca alkaloid derived from vinblastine used for various types of malignancies, but mainly acute lymphocytic leukemia (ALL).",[H][C@@]12N3CC[C@@]11C4=CC(=C(OC)C=C4N(C)[C@@]1([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(N)=O)[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,,Dydrogesterone,DB07213
3382,3382,3382,Not Available,OC(=O)C1=CON=C1O,,Pirlindole,DB07409
3383,3383,3383,Not Available,[H][C@@](CC(C)C)(NC(C)=O)[C@]1([H])O[C@]([H])(C[C@@]1([H])C(=O)OC)C(O)=O,,"{[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)",DB15769
3384,3384,3384,Not Available,O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O,,Homogentisic acid,DB00692
3385,3385,3385,Not Available,CCCCCCCCCO,,9-(6-deoxy-beta-D-allofuranosyl)-6-methylpurine,DB00507
3386,3386,3386,Not Available,C[N+](C)(C)C1=CC=CC(=C1)C(O)(O)C(F)(F)F,,Calcium carbimide,DB07733
3387,3387,3387,Netarsudil is a rho kinase inhibitor used to reduce intraocular pressure in patients with open angle glaucoma or ocular hypertension.,CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1,,6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE,DB00529
3388,3388,3388,Not Available,[H][C@](C)(N)COC1=C(C)C=CC=C1C,,S-Ethyl-N-Phenyl-Isothiourea,DB11328
3389,3389,3389,Not Available,[H]N([H])C1=C(SC(N([H])C2=CC(Cl)=CC=C2)=[N+]1[H])C(=O)C1=CC=C(F)C=C1,,"(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one",DB07359
3390,3390,3390,Not Available,[H][C@](O)(C[C@]([H])(O)[C@@]([H])(O)C([O-])=O)C([O-])=O,,Magnesium acetate tetrahydrate,DB01663
3391,3391,3391,Aripiprazole lauroxil is an antipsychotic used to treat schizophrenia in adults.,CCCCCCCCCCCC(=O)OCN1C(=O)CCC2=CC=C(OCCCCN3CCN(CC3)C3=C(Cl)C(Cl)=CC=C3)C=C12,,(E)-2-Fluoro-P-Hydroxycinnamate,DB02879
3392,3392,3392,,OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O,,Chlorobutanol,DB04646
3393,3393,3393,"Amlexanox is an antiallergic drug, clinically effective for atopic diseases, especially allergic asthma and rhinitis. Amlexanox as a topical paste is a well tolerated treatment of recurrent aphthous ulcers. Recurrent aphthous ulcer (RAU) is the most prevalent oral mucosal disease in humans, estimated to affect between 5% and 50% of the general population.",CC(C)C1=CC2=C(OC3=NC(N)=C(C=C3C2=O)C(O)=O)C=C1,,1-[Glycerolylphosphonyl]-2-[8-(2-Hexyl-Cyclopropyl)-Octanal-1-Yl]-3-[Hexadecanal-1-Yl]-Glycerol,DB06199
3394,3394,3394,Not Available,CC1=CC(Br)=C([O-])C(=C1)C1=NC2=CC(=CC=C2N1)C(N)=[NH2+],,HM-30181,DB07194
3395,3395,3395,Ropeginterferon alfa-2b is a mono-pegylated type I interferon used to treat polycythemia vera.,,,Exenatide,DB03874
3396,3396,3396,Thiocolchicoside is a semi-synthetic colchicine derivative used as an analgesic and anti-inflammatory.,COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(SC)=CC=C3C2=C1OC,,N-Alpha-(2-Naphthylsulfonyl)-N-(3-Amidino-L-Phenylalaninyl)-D-Pipecolinic Acid,DB00122
3397,3397,3397,Not Available,[H][C@]1(COC2=CC=C(NCC3=CC=CC=C3)C=C2)CCCN1,,"(17beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate",DB07394
3398,3398,3398,Not Available,FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,,Zidovudine diphosphate,DB03668
3399,3399,3399,Not Available,C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(O)=O,,Flucloxacillin,DB01397
3400,3400,3400,1-Deoxy-D-xylulose 5-phosphate is a solid. This compound belongs to the pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. The proteins that 1-Deoxy-D-xylulose 5-phosphate targets include 1-Deoxy-D-xylulose 5-phosphate reductoisomerase and pyridoxine 5'-phosphate synthase. 1-Deoxy-D-xylulose 5-phosphate is an intermediate in the non-mevalonate pathway.,CC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,,Dicoumarol,DB03147
3401,3401,3401,Etelcalcetide is a calcium sensing receptor agonist used to treat secondary hyperparathyroidism in patients with chronic kidney disease who require hemodialysis.,C[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@H](N)C(O)=O)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(N)=O,,Nilutamide,DB11338
3402,3402,3402,"Tubocurarine is a non-depolarizing neuromuscular blocking agent and the first identified curare alkaloid.1 Curare is one of the names used to describe plant-derived poisons used by indigenous South Americans to coat the tips of hunting arrows and darts, which were typically derived from plants of the genera Chondrodendron and Strychnos.1 Tubocurarine is a benzylisoquinoline derivative and shares this structural backbone with a number of plant-derived alkaloids, including morphine and papaverine.2 It was first isolated by Harold King in 1935 and was used clinically to induce neuromuscular blockade during surgeries, particularly those involving the abdomen.4 Tubocurarine's clinical use was limited by its relatively long duration of action (30-60 minutes)4 and a number of significant side effects.6 Safer and more pharmacokinetically favorable non-depolarizing neuromuscular blockers, such as rocuronium, have largely replaced the use of tubocurarine in the clinical setting.6",[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4O)C=C3,,AGRO100,DB03709
3403,3403,3403,"TM30339 is an analogue of the natural hormone Pancreatic Polypeptide (PP), which is released in connection with meals. TM30339 works through the same receptor as the natural satiety hormone, Pancreatic Polypeptide (PP), but TM30339 has improved properties compared with PP. TM30339 thus imitates a natural mechanism, a satiety signal from the gastrointestinal system involved in the regulation of food intake in humans. TM30339 is developed for the treatment of obesity.",,,Digitoxin,DB13173
3404,3404,3404,Not Available,CN(C)CCCCSC(N)=N,,Fluvoxamine,DB02963
3405,3405,3405,Not Available,OC[C@H]1O[C@H](O)C[C@@H](O)[C@H]1O,,Avanafil,DB08788
3406,3406,3406,Not Available,OC(=O)C(\O)=C(\Cl)/C=C/C(=O)C1=CC=CC=C1,,Midodrine,DB09096
3407,3407,3407,Not Available,CCCCCNC(=O)[C@H](CC1=CC=C(OCC(O)=O)C(=C1)C(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCC(O)=O,,MLN2222,DB07271
3408,3408,3408,"Perampanel is a non-competitive AMPA glutamate receptor antagonist used to treat partial-onset seizures with or without secondarily generalized seizures, and as adjunctive treatment of primary generalized tonic-clonic seizures in patients with epilepsy.",O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1,,N-Methylphenylalanyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide,DB07243
3409,3409,3409,Ingenol mebutate is a topical agent used for the treatment of actinic keratosis.,[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)C(\C)=C/C)[C@@]3(O)[C@H](O)C(CO)=C[C@@]([H])(C4=O)[C@]1([H])C2(C)C,,Radotinib,DB07548
3410,3410,3410,"Arbaclofen, or STX209, is the R-enantiomer of baclofen. It is believed to be a selective gamma-amino butyric acid type B receptor agonist, and has been investigated as a treatment for autism spectrum disorder and fragile X syndrome in randomized, double blind, placebo controlled trials. It has also been investigated as a treatment for spasticity due to multiple sclerosis and spinal cord injury. Arbaclofen was investigated as a treatment for gastroesophageal reflux disease (GERD); however, with disappointing results.",[H][C@@](CN)(CC(O)=O)C1=CC=C(Cl)C=C1,,1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE,DB06515
3411,3411,3411,Not Available,NS(=O)(=O)C1=CC=C(NC2=NC(Cl)=CN=C2)C=C1,,Selgantolimod,DB05501
3412,3412,3412,"Loprazolam is an imidazobenzodiazepine with anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. It is indicated for the short-term treatment of insomnia including difficulty in falling asleep and/or frequent nocturnal awakenings. Loprazolam is recommended as a short-term therapy only, due to adverse events associated with the drug including dependence and withdrawal symptoms. It is a positive modulator of GABA-A receptor that enhances the inhibitory neurotransmission. It is not an FDA-approved drug.",[H]\C(N1CCN(C)CC1)=C1\N=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(=C3)N(=O)=O)N2C1=O,,(4S)-5-[[(2S)-1-[[(2S)-1-Amino-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-3-[4-[difluoro(phosphono)methyl]phenyl]-1-oxopropan-2-yl]amino]-4-benzamido-5-oxopentanoic acid,DB03180
3413,3413,3413,Not Available,CCCCCCCCCCCCOS(O)(=O)=O,,"N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide",DB08503
3414,3414,3414,"Eszopiclone is a sedative-hypnotic used in the treatment of insomnia, improving both the latency phase and the maintenance phase of sleep.",CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1,,"10-(4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydro-Pyran-2-Yloxy)-8-Ethyl-1,8,11-Trihydroxy-7,8,9,10-Tetrahydro-Naphthacene-5,12-Dione",DB05220
3415,3415,3415,"Isopropamide is a long-acting anticholinergic drug used to relieve symptoms of spastic and painful symptoms of gastrointestinal conditions and symptoms of flu, colds, and related conditions.",CC(C)[N+](C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(C)C,,Harmine,DB02011
3416,3416,3416,Not Available,CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O,,"Mixed Carbamic Phosphoric Acid Anhydride of 7,8-Diaminononanic Acid",DB03091
3417,3417,3417,Tremelimumab is an anti-CTLA-4 antibody used to treat unresectable hepatocellular carcinoma in combination with durvalumab.,,QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDPRGATLYYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"2-(11-{2-[Benzenesulfonyl-(3-Methyl-Butyl)-Amino]-1-Hydroxy-Ethyl}-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-8-Yl)-Acetamide, Inhibitor 2",DB02869
3418,3418,3418,"Drostanolone (also known as dromostanolone) is a potent synthetic androgenic anabolic steroid similar to testosterone. Drostanolone is indicated in postmenopausal women with recurrent breast cancer, in a combined hormone therapy.",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)[C@H](C)C[C@]12C,,Biliverdine IX Alpha,DB07525
3419,3419,3419,Voretigene neparvovec is an adeno-associated viral gene therapy used to treat biallelic RPE65 mutation associated retinal dystrophy.,,,3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE,DB15248
3420,3420,3420,Eflapegrastim is a form of recombinant human granulocyte colony stimulating factor used to induce the production of granulocytes and lower infection risk after myelosuppressive therapy.,,PSCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE",DB06145
3421,3421,3421,Nesiritide is a recombinant natriuretic peptide used for the treatment of patients with acutely decompensated congestive heart failure who have dyspnea at rest or with minimal activity.,,SPKMVQGSGCFGRKMDRISSSSGLGCKVLRRH,Azidocillin,DB12020
3422,3422,3422,Not Available,OC[C@@H]1NC[C@H](O)[C@H]1O,,Z-Ala Prolinal,DB08470
3423,3423,3423,Not Available,CN1C(=O)N(CC2=CC=C(C=C2)C(O)=O)C(=O)C2=C1C=CC(=C2)C#CCC1=CC=CC=C1,,C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide,DB00253
3424,3424,3424,Ibalizumab is a CD4-specific antibody used to treat HIV infections.,,,AC-(D)Phe-pro-borolys-OH,DB06978
3425,3425,3425,Not Available,NC1=NC2=CC3=C(C=C2C(=O)N1)N=CN3,,methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate,DB01222
3426,3426,3426,Not Available,[H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)C1=CC(F)=CC=C1F)C1=CC=CC=C1,,Palonosetron,DB05514
3427,3427,3427,Not Available,CCCCCCCCC(=O)OC,,Levosimendan,DB12960
3428,3428,3428,Exemestane is an aromatase inhibitor used to treat breast cancer in postmenopausal women after treatment with tamoxifen.,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C,,4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide,DB01882
3429,3429,3429,"IGN311 is a humanized monoclonal antibody (mab) against the Lewis Y carbohydrate antigen, a blood-group-related oligosaccharide.",,,"5,7,2′-trihydroxy-6,8-dimethoxyflavone",DB05466
3430,3430,3430,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCCC(=O)OC)[C@]1([H])O,,"8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide",DB08881
3431,3431,3431,Not Available,[H][C@]1(C)[C@]([H])(C(C)C)C2=C(C=C(C)C(=C2)C(=O)CCC(O)=O)C1(C)C,,"1,10-Phenanthroline",DB16697
3432,3432,3432,Not Available,CN[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1,,Oxypurinol,DB01846
3433,3433,3433,Not Available,CN1C=C(\C=C\C(C)=O)C2=CC=CC=C12,,Flupentixol,DB14967
3434,3434,3434,Not Available,NC1=NC2=C(C=N1)C=C(C1=CC=CC=C1)C(=N2)N1CC=CC1,,Spaglumic acid,DB08474
3435,3435,3435,Not Available,[Fe+4].[H]\C(O)=C1/C(C)=C2[N-]/C/1=C([H])\C1=C(C)[C@@]([H])(C=C)\C([N-]1)=C([H])\C1=C(C)C(CCC(O)=O)=C([N-]1)\C([H])=C1/[N-]/C(=C\2/[H])C(C)=C1CCC(O)=O,,Idursulfase,DB07691
3436,3436,3436,"A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)",[H][C@](C)(O)C(O)=O,,"L-2,4-diaminobutyric acid",DB13902
3437,3437,3437,Not Available,[H]N([H])CCCCCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)N([H])C1=O,,1-{[N-(1-Imino-guanidino-methyl)]sulfanylmethyl}-3-trifluoromethyl-benzene,DB07254
3438,3438,3438,Vitamin B12 is a vitamin available in many formulations to correct vitamin B12 deficiency.,C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1\C(C)=C1/N=C(/C=C3\N=C(\C(\C)=C4\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@@]2(C)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)N1C=NC2=C1C=C(C)C(C)=C2,,1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE,DB01375
3439,3439,3439,Griseofulvin is an antifungal agent used to treat a variety of superficial tinea infections and fungal infections of the fingernails and toes.,COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@]1(O2)[C@H](C)CC(=O)C=C1OC,,Dimenhydrinate,DB01254
3440,3440,3440,Glyburide is a sulfonylurea used in the treatment of non insulin dependent diabetes mellitus.,COC1=C(C=C(Cl)C=C1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,,PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE,DB06429
3441,3441,3441,Not Available,COC1=C(OCCCN2CCCCC2)C=C2N=CN=C(NC3=C(Cl)C=CC4=C3OCO4)C2=C1,,Etheno-NAD,DB11697
3442,3442,3442,Not Available,CCCC1=CC=C(NC(=O)C2=CC=CC=C2NCC2=CNC(=O)C=C2)C=C1C(F)(F)F,,Latamoxef,DB00762
3443,3443,3443,Not Available,IC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,,Stavudine,DB00203
3444,3444,3444,Not Available,[O-]C(=O)CC([O-])=O,,2-(Sec-Butyl)Thiazole,DB04337
3445,3445,3445,Not Available,[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCC)[C@@]([H])(O)[C@]1([H])O,,Romilkimab,DB08145
3446,3446,3446,"SNX-5422 is a synthetic, novel, small molecule Hsp90 Inhibitor. As an oral formulation that demonstrates strong efficacy and tolerability, SNX-5422 is positioned as a breakthrough therapy with broad applicability across a wide range of cancers.",CC1(C)CC2=C(C(=NN2C2=CC(N[C@H]3CC[C@@H](CC3)OC(=O)CN)=C(C=C2)C(N)=O)C(F)(F)F)C(=O)C1,,2'-O-Acetyl Adenosine-5-Diphosphoribose,DB08400
3447,3447,3447,Not Available,[H][C@](O)(CO)CO[P@@]([O-])(=O)OC[C@@]([H])(COC(=O)CCCC)OC(=O)CCCCCCC,,4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,DB04141
3448,3448,3448,Not Available,CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NC1=NNC(=S)S1,,Avotaciclib,DB06506
3449,3449,3449,Not Available,[H]N([H])[C@@H]([C@@H](C)O)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,XMT-1001,DB04617
3450,3450,3450,Not Available,C[C@]1(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O1)C(O)=O,,Cephalexin,DB08062
3451,3451,3451,Not Available,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)C[C@@]([H])(O)P(O)(O)=O,,Daporinad,DB00174
3452,3452,3452,Not Available,[H][C@@]1(O)CN(CC2=CC=CC=C2)N(CC2=CC(OC)=C(O)C=C2)C(=O)N(CC2=CC(OC)=C(O)C=C2)[C@]1([H])CC1=CC=CC=C1,,3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide,DB00895
3453,3453,3453,"The relatively new calcium levulinate is produced from a direct reaction between L- or levulinic acid levulose and calcium hydroxide 3. The resultant calcium levulinate formulation, when used as a calcium supplement, possesses a high calcium content that is observed to be 14.8% higher than the content typically found in calcium lactate 3. This formulation is considered a low molecular weight organic calcium ion type that is easily absorbed through the intestinal wall 3.",[Ca++].CC(=O)CCC([O-])=O.CC(=O)CCC([O-])=O,,Adenosine 5'-phosphosulfate,DB04606
3454,3454,3454,Amsacrine is a cytotoxic agent used to induce remission in acute adult leukemia that is not adequately responsive to other agents.,COC1=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=CC(NS(C)(=O)=O)=C1,,Cyclohexylammonium Ion,DB09090
3455,3455,3455,"A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of atropine. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect. [PubChem]",CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1,,Udenafil,DB03342
3456,3456,3456,"Silver (Ag) is a chemical element that belongs in the family of transition metals in the periodic table. It has a high electrical conductivity, thermal conductivity, and reflectivity. Silver exists as a pure elemental form, alloy with other metals, and mineral. Having critical roles in various applications inducing chemical and industrial fields, silver compounds have also been used in the field of medicine for centuries due to their broad-spectrum biological actions. Silver nanoparticles especially have been widely used in industrial, household, and healthcare-related products due to their potent antimicrobial activity. Silver nitrate and Silver sulfadiazine have been used as topical antibacterial agents for the treatment of skin infections, while Silver sulfadiazine has also been valued for topical burn treatment 3. Silver and its compounds have been used in trials studying the management of dental caries since the 1800s, and they may be found in dental pastes as an active ingredients. However, some drawbacks of dental use of silver compounds include tooth discolouration and pulp irritation 3.",[Ag],,Methyprylon,DB02928
3457,3457,3457,Not Available,[H][C@](S)(CC1=CC=CC=C1)C(=O)NCC(=O)N1[C@@]([H])(CC[C@]1([H])C1=CC=CC=C1)C(O)=O,,Ocaperidone,DB02334
3458,3458,3458,"Ceftizoxime is a third-generation cephalosporin antibiotic used in the treatment of various bacterial infections, including lower respiratory tract infection, urinary tract infection, and gonorrhea.",[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O,,Bendazac,DB03415
3459,3459,3459,Rifapentine is an antibiotic agent used in the treatment of pulmonary tuberculosis.,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O,,Mepolizumab,DB07932
3460,3460,3460,Not Available,CC1=CC=C(C=C1)N1C=C(CNCC2CCCCC2)C2=CC=CC=C12,,Menthol,DB00018
3461,3461,3461,Basiliximab is a monoclonal anti-C25 antibody (interleukin-2 receptor alpha subunit) used as immunosuppressive therapy in kidney transplant patients.,,QLQQSGTVLARPGASVKMSCKASGYSFTRYWMHWIKQRPGQGLEWIGAIYPGNSDTSYNQKFEGKAKLTAVTSASTAYMELSSLTHEDSAVYYCSRDYGYYFDFWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,(S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE,DB08012
3462,3462,3462,Not Available,[H]N([C@@H](CC1=CC=CC2=CC=CC=C12)[B-](O)(O)O)C(C)=O,,Tasonermin,DB04081
3463,3463,3463,Not Available,FC1=CC=C(C=C1)C1=CN=CC(CNC[C@H]2CCC3=CC=CC=C3O2)=C1,,Brolucizumab,DB07298
3464,3464,3464,Not Available,CN1C=CN=C1SC1=CC(C(=O)NC2=NC=CS2)=C(N)C=C1F,,3-(1h-Indol-3-Yl)-2-[4-(4-Phenyl-Piperidin-1-Yl)-Benzenesulfonylamino]-Propionic Acid,DB16656
3465,3465,3465,"Mepolizumab is a fully-humanized monoclonal IgG1 kappa anti-IL-5 antibody used in conjunction with other therapies to treat severe asthma, eosinophilic granulomatosis with polyangiitis, and hypereosinophilic syndrome.",,,Aspartyl-Adenosine-5'-Monophosphate,DB01960
3466,3466,3466,Ecabet is a prescription eye drop for the treatment of dry eye syndrome. Ecabet represents a new class of molecules that increases the quantity and quality of mucin produced by conjunctival goblet cells and corneal epithelia. Mucin is a glycoprotein component of tear film that lubricates while retarding moisture loss from tear evaporation. Ecabet is currently marketed in Japan as an oral agent for treatment of gastric ulcers and gastritis.,[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S(O)(=O)=O,,Reserpine,DB04471
3467,3467,3467,Not Available,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,,Gemtuzumab ozogamicin,DB08775
3468,3468,3468,Dutasteride is an antiandrogenic compound that is used for the treatment of symptomatic benign prostatic hyperplasia (BPH) in adult males by inhibiting 5-alpha reductase.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F,,AT2220,DB06849
3469,3469,3469,,OC1=CC=CC=C1C(=O)OC1=CC=CC=C1,,CTS-1027,DB09274
3470,3470,3470,Not Available,CCOC(=O)C1=C(C)NN=C1C,,Methyldopa,DB02679
3471,3471,3471,Not Available,CN(C)C1=CC=C(C=C1)C1=[N+](C)C2=CC=C(O)C=C2S1,,L-thioproline,DB02595
3472,3472,3472,Not Available,CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2,,L-aminocarnityl-succinyl-leucyl-argininal-diethylacetal,DB02338
3473,3473,3473,Not Available,OC(=O)CCC1=CC=CC=C1,,Voxelotor,DB01325
3474,3474,3474,Not Available,OC(=O)C(CP(O)(O)=O)=C(Cl)Cl,,"7,10,13-Tri(Carboxymethyl)-5,15-Dioxo-4,7,10,13,16-Pentaaza-1,19-Dithianonadecane",DB08277
3475,3475,3475,Not Available,[H][C@]12CCCN1C(=O)C1=C2C(NC(=O)NC2=CC=CC=N2)=CC=C1,,Tolcapone,DB00535
3476,3476,3476,Procarbazine is an antineoplastic agent indicated for the treatment of stage III and stage IV Hodgkin's disease in combination with other chemotherapeutic agents.,CNNCC1=CC=C(C=C1)C(=O)NC(C)C,,Minodronic acid,DB11767
3477,3477,3477,,FC(F)(F)C1=CC(=CC(=C1)C1=NN(\C=C/C(=O)NNC2=NC=CN=C2)C=N1)C(F)(F)F,,Hydrocortisone probutate,DB06234
3478,3478,3478,Not Available,CN(CCO[P@@](O)(=O)OP(O)(O)=O)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,,Dexbrompheniramine,DB08673
3479,3479,3479,Not Available,CC(C)COC1=C([O-])C(=CC=C1)C1=NC2=CC(C(N)=[NH2+])=C(F)C=C2N1,,"5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DB04881
3480,3480,3480,"KB002 is an engineered human IgG1k antibody engineered human. It is developed for the treatment of autoimmune diseases, initially rheumatoid arthritis.",,,PPL-100,DB09149
3481,3481,3481,Moclobemide is a monoamine oxidase inhibitor used in the treatment of major depressive disorder and bipolar disorder.,[H]C1COCCN1CCNC(=O)C1=CC=C(Cl)C=C1,,Pregnenolone,DB02802
3482,3482,3482,Not Available,CC1N[C@@H](N)CCC1CNCCN1C(O)C(NCC(F)(F)C2=CC=CC=N2)=NC=C1Cl,,"2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide",DB07115
3483,3483,3483,Not Available,CCNC(=O)C1=CC2=C(N=C(N)N=C2S1)C1=C(Cl)C=C(Cl)C=C1,,"alpha,beta-Methyleneadenosine 5'-triphosphate",DB00110
3484,3484,3484,"Diazepam is a long-acting benzodiazepine with rapid onset commonly used to treat panic disorders, severe anxiety, alcohol withdrawal, and seizures.",CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1,,"N-(1-BENZYL-3,3,3-TRIFLUORO-2,2-DIHYDROXY-PROPYL)-ACETAMIDE",DB04762
3485,3485,3485,"LY2275796 is a second-generation antisense anti-cancer drug candidate for clinical development. LY2275796 targets eukaryotic initiation factor- 4E (eIF-4E), a protein involved in the translation of key growth and survival factors that drive tumor progression, angiogenesis and metastases.",,,Olaratumab,DB07392
3486,3486,3486,Not Available,[H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C)[C@@]1([H])CC[C@@]([H])(CC1)N(C)C(C)=O,,"S,S'-(1,4-Phenylene-Bis(1,2-Ethanediyl))Bis-Isothiourea",DB08508
3487,3487,3487,A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide.,CC(C(O)=O)C1=CC=C(C=C1)N1CC2=CC=CC=C2C1=O,,NPI 32101,DB14879
3488,3488,3488,Not Available,N[C@@H]1CCOC1=O,,Naldemedine,DB04868
3489,3489,3489,"Brodimoprim-4,6-dicarboxylate is a solid. This compound belongs to the anisoles. These are organic compounds contaiing a methoxybenzene or a derivative thereof. This medication is known to target the protein dihydrofolate reductase.",COC1=CC(CC2=C[NH+]=C(N)N=C2N)=CC(OCCC[C@@H](CCC([O-])=O)C([O-])=O)=C1Br,,Cenegermin,DB08790
3490,3490,3490,Vortioxetine is a serotonin modulating antidepressant indicated for the treatment of major depressive disorder (MDD).,CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1,,N-(Benzoylcarbamoyl)-beta-D-glucopyranosylamine,DB11859
3491,3491,3491,Not Available,[H][C@@](NS(=O)(=O)C1=CC=CC2=NSN=C12)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1,,FR221647,DB03228
3492,3492,3492,Pozelimab is a human monoclonal IgG4 antibody used to treat CD55-deficient protein-losing enteropathy (PLE) or CHAPLE disease,,,Enzalutamide,DB07861
3493,3493,3493,Not Available,COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)=CC(O)=C1O,,Arimoclomol,DB02242
3494,3494,3494,Not Available,CC(C)(C)OC=O,,"4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine",DB03310
3495,3495,3495,Dosulepin is a tricyclic antidepressant commonly used only in patients for whom alternative therapies are ineffective due to its toxicity potential.,CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12,,N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-,DB07114
3496,3496,3496,"Talampanel is a substance that is being studied in the treatment of brain tumors and other brain disorders, such as epilepsy and Parkinson disease. It is a type of AMPA receptor antagonist.",C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C(C)=O)C1=CC=C(N)C=C1,,S-Methyl glutathione,DB04244
3497,3497,3497,Not Available,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O,,"N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene-2-carbohydrazide",DB08761
3498,3498,3498,Barnidipine is a calcium channel blocker used to treat various forms of hypertension.,COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)O[C@H]1CCN(CC2=CC=CC=C2)C1,,Nandrolone decanoate,DB00015
3499,3499,3499,Not Available,OS(=O)(=O)CC1=CC=CC=C1,,PRO-542,DB07702
3500,3500,3500,Not Available,[H][C@@]1(C#N)C2=C(N(C)C3=C(Cl)C(Cl)=CC=C23)C(=O)NC11CCN(C)CC1,,Triethyl phosphate,DB02160
3501,3501,3501,Not Available,CC(C)N1C(NC2=CC=CC=C2F)=NC2=CN=C(OC3=C(F)C=CC=C3F)N=C12,,Tesofensine,DB15258
3502,3502,3502,"Agmantine is a natural metabolite of the amino acid arginine. It is formed when arginine is decarboxylated by the enzyme arginine decarboxylase and is found naturally in ragweed pollen, ergot fungi, octopus muscle, herring sperm, sponges, and the mammalian brain. Agmatine is both an experimental and investigational drug. As an investigational drug, it is being studied in a non-blinded prospective case study in the United States looking at patients who have been diagnosed with small fiber peripheral neuropathy between the ages of 18 to 75 years. Up to now (July 2013), the results of this study have not yet been published. As an experimental drug, agmatine is being studied for several indications such as cardioprotection, diabetes, decreased kidney function, neuroprotection (stroke, severe CNS injuries, epilepsy, glaucoma, and neuropathic pain), and psychiatric conditions (depression, anxiety, schizophrenia, and cognition). The exact mechanism of action is still being investigated for all of the potential indications of agmatine.",NCCCCNC(N)=N,,"9-Hydroxy-8-Methoxy-6-Nitro-Phenanthrol[3,4-D][1,3]Dioxole-5-Carboxylic Acid",DB04982
3503,3503,3503,Zucapsaicin is a topical analgesic used as an adjunct to relieve severe pain of osteoarthritis of the knee in selected adult patients.,COC1=C(O)C=CC(CNC(=O)CCCC\C=C/C(C)C)=C1,,Lepirudin,DB14011
3504,3504,3504,Not Available,OC1=C(OC2=CC=C(Cl)C=C2)C=CC(Cl)=C1,,Bifeprunox,DB04167
3505,3505,3505,Not Available,CC1=CC(=CC=C1O)\N=N\C1=CC=CC=C1C(O)=O,,Pyrithiamine Pyrophosphate,DB01056
3506,3506,3506,Not Available,CN1CCN(CC1)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O,,Tetrahydrocannabivarin,DB07810
3507,3507,3507,Ethylmercurithiosalicylic acid is a topical antiseptic used on skin and mucous membranes. It is also used as a preservative in pharmaceuticals.,CC[Hg]SC1=CC=CC=C1C(O)=O,,"1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea",DB02225
3508,3508,3508,Not Available,OCCOCCOCCOCCOCCOCCOCCO,,Fusidic acid,DB06376
3509,3509,3509,Not Available,NC1=NC2=C(N=C(CN3C4=CC=CC=C4C=CC4=CC=CC=C34)C=N2)C(N)=N1,,Cloxacillin,DB04859
3510,3510,3510,Not Available,CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OCC,,Niperotidine,DB01689
3511,3511,3511,Not Available,[H][C@](O)(COP(O)(O)=O)[C@@]([H])(O)C(=O)CO,,4-Deoxy-D-Glucuronic Acid,DB02936
3512,3512,3512,Not Available,[H][C@]1(CC2=CC=CC=C2)N(CC=C)C(=O)N(CC=C)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O,,Tivozanib,DB02063
3513,3513,3513,Not Available,NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1=CC=CC=C1)[C@H](O)CCl,,Gimeracil,DB02302
3514,3514,3514,Not Available,NCCC1=CC=C(O)C(=C1)C1CCCCC1,,Glisoxepide,DB03148
3515,3515,3515,Not Available,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,,Darbepoetin alfa,DB07535
3516,3516,3516,Encorafenib is a kinase inhibitor used to treat unresectable or metastatic melanoma with specific mutations.,COC(=O)N[C@@H](C)CNC1=NC=CC(=N1)C1=CN(N=C1C1=CC(Cl)=CC(NS(C)(=O)=O)=C1F)C(C)C,,"(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE",DB02503
3517,3517,3517,Not Available,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,,3-Bromo-3-buten-1-ol,DB04164
3518,3518,3518,Not Available,BrC1=NC=NC2=C1NC=N2,,Carbendazim,DB03018
3519,3519,3519,"DG031, deCODE genetics's lead compound, is being developed for the prevention of myocardial infarction, or heart attack.",,,Atogepant,DB00835
3520,3520,3520,Insulin human is a recombinant form of human insulin used to control hyperglycemia in diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,Moxalactam (hydrolyzed),DB04727
3521,3521,3521,Mecasermin is a recombinant insulin-like growth factor-1 used for the long-term treatment of growth failure in pediatric patients with primary IGF-1 deficiency or with growth hormone gene deletion due to the development of neutralizing antibodies to GH.,,GPETLCGAELVDALQFVCGDRGFYFNKPTGYGSSSRRAPQTGIVDECCFRSCDLRRLEMYCAPLKPAKSA,Alfacalcidol,DB08239
3522,3522,3522,Not Available,C(N1C=CN=C1)C1=CC=C(C=C1)C1=CC=CC=C1,,Alprazolam,DB01403
3523,3523,3523,Sertindole is an atypical antipsychotic indicated in the treatment of schizophrenia.,FC1=CC=C(C=C1)N1C=C(C2CCN(CCN3CCNC3=O)CC2)C2=C1C=CC(Cl)=C2,,N-acetyl-L-arginine,DB05024
3524,3524,3524,Papain is a proteolytic enzyme derived from papaya used for its anti-inflammatory properties.,,MAMIPSISKLLFVAICLFVYMGLSFGDFSIVGYSQNDLTSTERLIQLFESWMLKHNKIYKNIDEKIYRFEIFKDNLKYIDETNKKNNSYWLGLNVFADMSNDEFKEKYTGSIAGNYTTTELSYEEVLNDGDVNIPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNEYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHAVAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN,alpha-Ketoisocaproic acid,DB08165
3525,3525,3525,Not Available,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,,Ethyl loflazepate,DB08934
3526,3526,3526,Not Available,[H][C@]1(O)C[N@]2[C@@]([H])(C1)[C@]1([H])C(=O)N(CC3=CC=C4OCOC4=C3)C(=O)[C@]1([H])[C@]2([H])C1=CC=C(C=C1)C(N)=N,,Indeglitazar,DB04272
3527,3527,3527,Not Available,CC[C@@H](N)C(O)=O,,Menotropins,DB02360
3528,3528,3528,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(=O)NC1=O,,"N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide",DB01872
3529,3529,3529,Not Available,[H][C@](N)(CCSC)C(O)(O)C1=NC=CS1,,Topiramate,DB04010
3530,3530,3530,"5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-(hydroxyethyl oxymethyleneoxymethyl) isoxazole targets the protein genome polyprotein.",OCCOCOCC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,,D-pantetheine 4'-phosphate,DB00717
3531,3531,3531,"Halofuginone is a low molecular weight quinazolinone alkaloid, and a potent inhibitor of collagen alpha1(I) and matrix metalloproteinase 2 (MMP-2) gene expression. Halofuginone also effectively suppresses tumor progression and metastasis in mice. Collgard Biopharmaceuticals is developing halofuginone for the treatment of scleroderma and received orphan drug designation from the U.S. Food and Drug Administration in March, 2000.",[H][C@]1(O)CCCN[C@]1([H])CC(=O)CN1C=NC2=C(C=C(Cl)C(Br)=C2)C1=O,,"N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide",DB02504
3532,3532,3532,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2N=CN=C3NCCC(C)C)[C@]([H])(O)[C@]1([H])O,,Formoterol,DB03234
3533,3533,3533,"Etacrynic acid is a diuretic used to treat ascites and edema in congestive heart failure, liver cirrhosis, and renal disease.",CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1,,1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine,DB05447
3534,3534,3534,Anacaulase is a mix of proteolytic enzymes indicated for eschar removal in adults with deep partial thickness and/or full-thickness thermal burns.,,,GMX1777,DB05198
3535,3535,3535,Not Available,[H][C@](CCC)(C=CS(=O)(=O)C1=CC=CC=C1)N=C(O)[C@]([H])(CC1=CC=CC=C1)N=C(O)N1CCC(CC1)N1CCOCC1,,Ponesimod,DB08603
3536,3536,3536,Not Available,COC1=CC=C2NC=C(CCC(O)=O)C2=C1,,AZD-8330,DB02640
3537,3537,3537,Not Available,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=C(OCC)SC(=C1)S(N)(=O)=O,,Dibromothymoquinone,DB13800
3538,3538,3538,Not Available,[H][C@](C)(NC1=C(NC2=CC=NC=C2)C(=O)C1=O)C1=CC=CC=C1,,"9(S)-HODECommonly known or available as (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid",DB02495
3539,3539,3539,"Citraconic acid is one of the isomeric dicarboxylic acids produced by the distillation of citric acid, or as metabolites by microorganisms, cis-CH3-C(CO2H)=CHCO2H; the trans-isomer is mesaconic acid.",C\C(=C\C(O)=O)C(O)=O,,Ndelta-(N'-Sulphodiaminophosphinyl)-L-Ornithine,DB08614
3540,3540,3540,A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity.,[H][C@]1(O)C[C@@]2([H])\C=C\CCC[C@]([H])(C)OC(=O)\C=C\[C@@]([H])(O)[C@]2([H])C1,,"2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL",DB00952
3541,3541,3541,Not Available,NC1=NC2(CCN(CC2)C(=O)C2=CC=C(N=C2)C#N)NC2=C(F)C=CC(F)=C12,,K-252a,DB00463
3542,3542,3542,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,,Tenoxicam,DB07654
3543,3543,3543,,[H][C@]12C[C@@H](OC(=O)C3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,,AR-AO-14418,DB02235
3544,3544,3544,Not Available,[H][C@]1(C[C@]2([H])O[C@@](OC[C@]2([H])O1)(C1=CC=CC=C1)P(O)(O)=O)N1C=C(C)C(=O)NC1=O,,Arbekacin,DB00807
3545,3545,3545,Viloxazine is a selective norepinephrine reuptake inhibitor indicated for the treatment of Attention Deficit Hyperactivity Disorder (ADHD) in adults in children.,CCOC1=CC=CC=C1OCC1CNCCO1,,"ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE",DB03692
3546,3546,3546,"Meclizine is a histamine H1 antagonist used to treat nausea, vomiting, and dizziness associated with motion sickness.",CC1=CC(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1,,"(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE",DB04495
3547,3547,3547,"Hypromellose is an ingredient used in a wide variety of medications, and is not an approved medication.",,,VP025,DB08606
3548,3548,3548,Not Available,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)N([H])C(=O)OCC1=CC=CC=C1)C(=O)OCC1=CC=CC=C1,,N-omega-propyl-L-arginine,DB06660
3549,3549,3549,A systemic agricultural fungicide and seed treatment agent.,CC1=C(SCCO1)C(=O)NC1=CC=CC=C1,,Amlodipine,DB14919
3550,3550,3550,Not Available,[H][C@@](C)(N)[P@@](O)(=O)C[C@@]([H])(CC1=CC=CC=C1)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(O)=O,,"N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine",DB04903
3551,3551,3551,"Dexfenfluramine, also marketed under the name Redux, is a serotoninergic anorectic drug. For a fairly limited time during the middle of the nineties, the US FDA had approved it for use in managing weight loss. However, following multiple concerns about the cardiovascular side-effects of the drug, such approval was withdrawn.",CCN[C@@H](C)CC1=CC=CC(=C1)C(F)(F)F,,Fomepizole,DB01101
3552,3552,3552,"CR002 is a novel investigational fully human monoclonal antibody that blocks the activity of excess platelet-derived growth factor-D (PDGF-D), a target shown to play a role in kidney inflammation. This is a novel therapeutic approach to treat kidney inflammation.",,,P-(2'-Iodo-5'-Thenoyl)Hydrotropic Acid,DB06691
3553,3553,3553,99mTc 14F7 Mab has strong anti tumor activity against myeloma cells in vivo. Growth inhibition and prolonged survival of the myeloma tumor were obtained as evidences of anti tumor effect after treatment with 99mTc 14F7 Mab.,,,Levetiracetam,DB00567
3554,3554,3554,Tivozanib is a kinase inhibitor to treat adult patients with renal cell carcinoma (RCC) who have failed prior systemic therapies or experienced relapsed disease.,COC1=C(OC)C=C2C(OC3=CC(Cl)=C(NC(=O)NC4=NOC(C)=C4)C=C3)=CC=NC2=C1,,Cumidine,DB03437
3555,3555,3555,Not Available,CC(C)C1=C2N=C(N[C@H]3CC[C@H](N)CC3)C=C(NC3=CC=C(C=C3)S(=O)(=O)N(C)C)N2N=C1,,Parachlorophenol,DB07262
3556,3556,3556,Doconexent is an omega 3 fatty acid used in a variety of nutritional supplements to support central nervous system and cardiovascular health.,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O,,Sulfaphenazole,DB01796
3557,3557,3557,"Obinepitide is a synthetic analogue of two natural human hormones, PYY and Pancreatic Polypeptide, which normally are released during a meal. These hormones are known to play a role in the regulation of food intake and appetite in man as satiety signal from the GI-tract to the CNS. In obinepitide, the properties of both of these hormones have been implanted into a single molecule.",CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CCCNC(N)=N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(O)=O)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCC(O)=N)N=C(O)[C@H](CCC(O)=O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(O)=N)N=C(O)[C@H](CC(O)=O)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(O)=N[C@@H](CC(O)=N)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CCC(O)=N)C(O)=N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(O)=N,,Latanoprost,DB05177
3558,3558,3558,Leukotriene B4 has been used in trials studying the treatment of HIV Infections.,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,,4-iodo-acetamido phenylboronic acid,DB06775
3559,3559,3559,Not Available,[H][C@@]1(Cl)SC2=NC(=CC2=C1)C(=O)N[C@@]1([H])CC2=C(C=CC=C2)N(CC(N)=O)C1=O,,3'-Fluoro-3'-deoxythymidine 5'-monophosphate,DB06262
3560,3560,3560,Bazedoxifene is a selective estrogen receptor modulator (SERM) used to treat moderate to severe vasomotor symptoms in menopause and osteoporosis alone or in combination with conjugated estrogens.,CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,,(S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide,DB07841
3561,3561,3561,Olinvacimab is under investigation in clinical trial NCT03033524 (Trial to Evaluate the Safety of Ttac-0001(tanibirumab) in Recurrent Glioblastoma).,,,4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN,DB01808
3562,3562,3562,Not Available,CCCC(N)=O,,Citric acid,DB02022
3563,3563,3563,Guanfacine is an alpha-2A adrenergic receptor agonist used to treat ADHD.,NC(=N)NC(=O)CC1=C(Cl)C=CC=C1Cl,,"2,4-Diamino-6-[N-(3',5'-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",DB08686
3564,3564,3564,Not Available,NC1=NC=CC(=N1)C1=C(Cl)SC(Cl)=C1,,Acarbose,DB14014
3565,3565,3565,Not Available,CC1=C(C(N)=NC(N)=N1)C1=CC(Cl)=C(Cl)C=C1,,6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile,DB07137
3566,3566,3566,Not Available,NS(=O)(=O)C1=CC=C(NC2=CC(OCC3CCCCC3)=NC3=NC=NN23)C=C1,,"3,6,9,12,15-Pentaoxaheptadecane",DB00738
3567,3567,3567,Propylthiouracil is a thiourea antithyroid agent used to treat hyperthyroidism.,CCCC1=CC(=O)NC(=S)N1,,N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE,DB07698
3568,3568,3568,Not Available,OC(=O)CNC(=O)CCC[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,,Terbinafine,DB05771
3569,3569,3569,"Etretinate is a medication used to treat severe psoriasis. It is a synthetic aromatic retinoid. The mechanism of action of etretinate is still incompletely understood although, like retinoic acid, it is thought to interfere with the terminal differentiation of keratinocytes. It is thought to bind to the retinoic acid receptors. Etretinate is also believed to enhance the binding of cAMP to the regulatory RI subunit of cAMP dependent protein kinases. Etretinate was taken off the market in Canada in 1996 and America in 1998 due to the risk of birth defects. Etretinate is now used to treat T-cell lymphomas. It also appears to inhibit NADH oxidase activity.",CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(C)=C(OC)C=C1C,,N-acetyl-alpha-D-glucosamine,DB12548
3570,3570,3570,"A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism. [PubChem]",NC#N,,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol",DB04864
3571,3571,3571,Minocycline is a tetracycline analog used to treat a wide variety of infections in the body.,[H][C@@]12CC3=C(C(O)=CC=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,,Zidovudine monophosphate,DB08099
3572,3572,3572,Not Available,OC(O)CC1=CC(Br)=C(OC2=CC(C(O)NCCC3=CC=CC=C3)=C(O)C=C2)C(Br)=C1,,Serdexmethylphenidate,DB05199
3573,3573,3573,Not Available,[O]#C[Re+]1(C#[O])(C#[O])[N]2=CC=CC3=C2C2=C(C=CC=[N]12)C=C3,,Mevinolinic acid,DB02697
3574,3574,3574,Not Available,NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1,,Azlocillin,DB06191
3575,3575,3575,"XL228 is a novel anticancer compound designed to inhibit the insulin-like growth factor type-1 receptor (IGF1R), Src and Abl tyrosine kinases – targets that play crucial roles in cancer cell proliferation, survival and metastasis.",,,4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE,DB07646
3576,3576,3576,Not Available,[H]N=NC,,2-Hydroxybenzalpyruvate,DB02346
3577,3577,3577,Not Available,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO,,3-Mercuri-4-Aminobenzenesulfonamide,DB13151
3578,3578,3578,Not Available,CN(C)CC1=CC=C(O1)C1=CC=CN=C1,,Guanosine tetraphosphate,DB00344
3579,3579,3579,Not Available,OC[C@H]1CNC[C@@H](O)[C@@H]1O,,"1,2-Dihydroxynaphthalene",DB04123
3580,3580,3580,Not Available,NCCCN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CNC2=C1C=CC=C2,,Levocarnitine,DB00802
3581,3581,3581,Not Available,[H]N([H])C(=NOCCN([H])C(=O)CC1=C(C=CC(N([H])CC(F)(F)C2=CC=CC=N2)=C1F)C#N)N([H])[H],,Sildenafil,DB08280
3582,3582,3582,Not Available,[H][C@](N)(CSCCS(N)(=O)=O)C(O)=O,,Pentobarbital,DB03279
3583,3583,3583,Not Available,NC1=NC=CC=C1NCC1=CC=CC=C1,,Egaptivon pegol,DB07728
3584,3584,3584,Not Available,CC(C)(C)C1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O,,Glycopyrronium,DB03647
3585,3585,3585,Not Available,OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O,,Quercetin,DB04753
3586,3586,3586,"3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN. [PubChem]",NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O,,5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID,DB00722
3587,3587,3587,Yohimbine is an alpha-2-adrenergic blocker and sympatholytic found in supplements used to.,[H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]1([H])N(CCC3=C1NC1=CC=CC=C31)C2,,METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE,DB04502
3588,3588,3588,"Ellagic acid is present in several fruits such as cranberries, strawberries, raspberries, and pomegranates. In pomegranates, there are several therapeutic compounds but ellagic acid is the most active and abundant. Ellagic acid is also present in vegetables. Ellagic acid is an investigational drug studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines. Ellagic acid's therapeutic action mostly involves antioxidant and anti-proliferative effects.",OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2,,Quinethazone,DB01988
3589,3589,3589,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSCC1=CC=CC=C1I)C(=O)N([H])CC(O)=O)C(O)=O,,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)-4-Acetyl-Piperazine,DB01406
3590,3590,3590,Not Available,O=C(OCC1=CC=CC=C1)C1=CN2C(S1)=CC(=O)N(CC1=CC=CC=C1)C2=O,,Edotreotide gallium Ga-68,DB00024
3591,3591,3591,Not Available,[H]N([C@H](COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OCCSC)C(C)=O,,Morniflumate,DB04760
3592,3592,3592,,Cl[Al](Cl)Cl,,Ketorolac,DB07126
3593,3593,3593,Not Available,[H][C@@]1(NC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,,"4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",DB01967
3594,3594,3594,Not Available,[H][C@@](O)(CO)[C@]([H])(O)CCCC,,Telaprevir,DB14724
3595,3595,3595,Not Available,CC(=O)NC1=C(N)C=C(C=C1)C(O)=O,,Flurbiprofen Methyl Ester,DB00364
3596,3596,3596,"Mifepristone is a cortisol receptor blocker used to treat Cushing's syndrome, and to terminate pregnancies up to 70 days gestation.",[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],,Se-Ethyl-Isoselenourea,DB06732
3597,3597,3597,Not Available,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NC2CCCCC2)=C1)C(O)=O,,2-Iminobiotin,DB05679
3598,3598,3598,Not Available,NC1=C2N=CN([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)C2=NC=N1,,Belzutifan,DB08176
3599,3599,3599,Not Available,OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](F)[C@@H](O)[C@@H]1O,,"(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid",DB07373
3600,3600,3600,Not Available,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](OC(C)=O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,,Chenodeoxycholic acid,DB02474
3601,3601,3601,Not Available,C1C2=C(C=CC=C2)C2=NNC(=C12)C1=CC=NC=C1,,Betaxolol,DB02373
3602,3602,3602,Aspartic acid is an amino acid commonly found as a component in total parenteral nutrition.,N[C@@H](CC(O)=O)C(O)=O,,Guanosine 3'-monophosphate,DB06914
3603,3603,3603,"Methylprednisolone is a corticosteroid used to treat inflammation or immune reactions across a variety of organ systems, endocrine conditions, and neoplastic diseases.",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)C=C[C@]12C,,Nedocromil,DB08414
3604,3604,3604,"An alkaloid from Hydrastis canadensis L., Berberidaceae. It is also found in many other plants. It is relatively toxic parenterally, but has been used orally for various parasitic and fungal infections and as antidiarrheal.",COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC,,Beta-(2-Naphthyl)-Alanine,DB03928
3605,3605,3605,Not Available,CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O,,Aminoquinuride,DB00263
3606,3606,3606,Fidaxomicin is a macrolide antibiotic used to treat diarrhea associated with Clostridium difficile infection.,[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)C4=C(CC)C(Cl)=C(O)C(Cl)=C4O)[C@H](O)[C@@H]3OC)\C(=O)O[C@@H](C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O,,AL5424,DB11131
3607,3607,3607,Not Available,OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1,,"[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE",DB03471
3608,3608,3608,Not Available,[H]C(=C([H])C([H])(C)C([H])(OC(C)=O)[C@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)CCCC(=O)C[C@]([H])(C)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\C[C@]([H])(OC)[C@@]1([H])C)OC)N(C)CO,,Nebivolol,DB02915
3609,3609,3609,"Sulfamethazine is an antibacterial agent used in the treatment of various bacterial infections, such as bronchitis, prostatitis, and urinary tract infections.",CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1,,N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide,DB00810
3610,3610,3610,Andrographolide (HMPL-004) is a botanical product extracted from a herb that occurs naturally in China. The herb has an extensive history of use in TCM for the treatment of upper respiratory tract infections and other inflammatory and infectious diseases.,[H][C@]12CCC(=C)[C@@H](C\C=C3/[C@H](O)COC3=O)[C@]1(C)CC[C@@H](O)[C@@]2(C)CO,,Oxyphencyclimine,DB03755
3611,3611,3611,"A tripeptide with many roles in cells. It conjugates to drugs to make them more soluble for excretion, is a cofactor for some enzymes, is involved in protein disulfide bond rearrangement and reduces peroxides.",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,,Abrocitinib,DB01704
3612,3612,3612,PH-797804 has been investigated for the treatment of Osteoarthritis.,CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O,,Varenicline,DB00876
3613,3613,3613,Delafloxacin is a fluoroquinolone antibiotic used to treat skin and skin structure infections.,NC1=NC(N2C=C(C(O)=O)C(=O)C3=CC(F)=C(N4CC(O)C4)C(Cl)=C23)=C(F)C=C1F,,ISOTHIAZOLIDINONE ANALOG,DB07539
3614,3614,3614,Not Available,N[C@@H]([C@@H](O)C(O)=O)C(O)=O,,Anastrozole,DB02489
3615,3615,3615,Not Available,CC1=CC(=CC(OC2=C(Br)C=C(CC3=NNC4=NN=CC=C34)C=C2)=C1)C#N,,Methyclothiazide,DB08438
3616,3616,3616,Not Available,OC(=O)CCC(=O)CF,,9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine,DB07622
3617,3617,3617,Not Available,[H]N([C@H]1N([H])C[C@H](CO)[C@H](O)[C@@H]1O)C(C)=O,,Dexverapamil,DB01899
3618,3618,3618,"PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.",COC1=CC=C(C=C1)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O,,(3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,DB02790
3619,3619,3619,Efgartigimod alfa is a neonatal Fc receptor blocker used to treat generalized myasthenia gravis in patients who are AChR-antibody positive and chronic inflammatory demyelinating polyneuropathy.,,DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALKFHYTQKSLSLSPGK,2-Anhydro-3-Fluoro-Quinic Acid,DB08463
3620,3620,3620,Not Available,CC1=CC2=C3C=C(CCCCCCCCC(=O)N[C@H]4[C@H]5C[C@@H]6C[C@@H](C[C@H]4C6)C5)C=CN3[Ru++]34(N5C=CC=CC5=C5C=CC=CN35)(N3C=CC=CC3=C3C=CC=CN43)N2C=C1,,Glipizide,DB02472
3621,3621,3621,E5531 is an endotoxin antagonist.,[H]N([C@H]1[C@@H](OP(O)(O)=O)O[C@H](CO[C@@H]2O[C@H](COC)[C@@H](OP(O)(O)=O)[C@H](OCC[C@@H](CCCCCCC)OC(=O)CCC\C=C/CCCCCC)[C@H]2N([H])C(=O)CC(=O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OCC[C@H](O)CCCCCCC)C(=O)CC(=O)CCCCCCCCCCC,,Ciclesonide,DB02479
3622,3622,3622,Elocalcitol is a calcitriol analog for inhibition of prostate cell growth; in phase II clinical trial in patients with benign prostate hyperplasia (4/2004).,CCC(O)(CC)\C=C\C[C@H](C)C1=CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@@](F)([H])C1=C,,"3-Amino-4-{3-[2-(2-Propoxy-Ethoxy)-Ethoxy]-Propylamino}-Cyclobut-3-Ene-1,2-Dione",DB07319
3623,3623,3623,Not Available,[H]N1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],,(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE,DB05712
3624,3624,3624,Equine Botulinum Neurotoxin D Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,"9-Butyl-8-(2,5-Dimethoxy-Benzyl)-9h-Purin-6-Ylamine",DB07501
3625,3625,3625,Not Available,CC(C)[C@@H](NC(=O)CN1C(=O)C(N)=CN=C1C1=CC=CC=C1)[C@@H](O)C1=NN=C(O1)C(C)(C)C,,Topotecan,DB06700
3626,3626,3626,"A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.",CC1=CC(=O)C2=CC=CC=C2C1=O,,Nialamide,DB03925
3627,3627,3627,Erlotinib is an EGFR tyrosine kinase inhibitor used to treat certain small cell lung cancers or advanced metastatic pancreatic cancers.,COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2,,"6-hydroxy-1,6-dihydro purine nucleoside",DB06090
3628,3628,3628,Not Available,NCCNC1=NN=C(O1)C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C=C1,,Bopindolol,DB02319
3629,3629,3629,Olmutinib is an orally active epidermal growth factor receptor inhibitor used in the treatment of T790M mutation positive non-small cell lung cancer. It is available under the brand name Olita made by Hanmi Pharmaceuticals 4. Olmutinib was developed by Hanmi Pharmaceuticals and Boehringer Ingelheim. Olmutinib recieved breakthrough therapy designation in the United States in December 2015 and was approved for use in Korea in May 2016.,CN1CCN(CC1)C1=CC=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3SC=CC3=N2)C=C1,,Sobetirome,DB00198
3630,3630,3630,Not Available,N[C@@H](CC1=CC=CS1)C(O)=O,,N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide,DB00320
3631,3631,3631,Not Available,NC(=O)C1=C(N)N=C2OC3=C(C=C(F)C=C3)C(=O)C2=C1,,AS-8112,DB02433
3632,3632,3632,Not Available,NOCC[C@H](N)C(O)=O,,Serine,DB01338
3633,3633,3633,"Volasertib has been used in trials studying the treatment of Leukemia, Neoplasms, Leukemia, Myeloid, Acute, Myelodysplastic Syndromes, and Leukemia, Monocytic, Acute, among others.",CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O,,H-89,DB09244
3634,3634,3634,Not Available,CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,,"1,6-Naphthalenediol",DB09304
3635,3635,3635,Not Available,[H][C@@]1(C)C2=CC(O)=CC=C2O[C@@]([H])(C2=CC=C(OCCN3CCCC3)C=C2)[C@@]1([H])C1=CC=C(O)C=C1,,Tezepelumab,DB06433
3636,3636,3636,Not Available,NC1=NC(=NC=C1CO[P@@](O)(=O)OP(O)(O)=O)C(F)(F)F,,4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE,DB11901
3637,3637,3637,Methylthioninium is the phenothiazine cation in methylene blue commonly used to treat methemoglobinemia.,CN(C)C1=CC2=[S+]C3=CC(=CC=C3N=C2C=C1)N(C)C,,Adalimumab,DB08313
3638,3638,3638,Telotristat ethyl is a tryptophan hydroxylase inhibitor that is used to treat carcinoid syndrome diarrhea.,CCOC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=NC(N)=NC(O[C@H](C2=CC=C(Cl)C=C2N2C=CC(C)=N2)C(F)(F)F)=C1,,(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide,DB04175
3639,3639,3639,Omidenepag isopropyl is an agonist of the prostaglandin EP2 receptor indicated for the reduction of elevated intraocular pressure.,CC(C)OC(=O)CNC1=CC=CC(CN(CC2=CC=C(C=C2)N2C=CC=N2)S(=O)(=O)C2=CC=CN=C2)=N1,,Fosdenopterin,DB09296
3640,3640,3640,Not Available,N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(O)=O,,AP1081,DB02497
3641,3641,3641,Not Available,CS(=O)(=O)NC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,,Galidesivir,DB00993
3642,3642,3642,Not Available,BrC1=CC=C2C(=O)NC(=O)\C(=C/NC3=CC=C(CN4CCCC4)C=C3)C2=C1,,Loncastuximab tesirine,DB06040
3643,3643,3643,Not Available,[H][C@]1(CCCCN1)C(=O)NC(C)(C)C,,Botulinum toxin type B,DB05337
3644,3644,3644,"Prednisolone phosphate is a corticosteroid used to treat inflammation, immune reactions, as well as endocrine or neoplastic conditions.",[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine,DB00399
3645,3645,3645,Golodirsen is a drug used to treat certain mutations that cause Duchenne muscular dystrophy (DMD).,,,2-oxopropyl-CoM,DB03619
3646,3646,3646,"Vinblastine is a vinca alkaloid used to treat breast cancer, testicular cancer, neuroblastoma, Hodgkin's and non-Hodgkins lymphoma, mycosis fungoides, histiocytosis, and Kaposi's sarcoma.",[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])CN(C[C@](O)(CC)C2)CCC2=C1NC1=C2C=CC=C1)C(=O)OC,,"1-(2,2'-bithiophen-5-yl)methanamine",DB08450
3647,3647,3647,"Diclofenamide is a carbonic anhydrase inhibitor used for the management of open-angle and secondary glaucoma, as well as acute angle-closure glaucoma in delayed pre-operative setting requiring a reduction in intraocular pressure.",NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O,,Tryptamine,DB03591
3648,3648,3648,Not Available,[H][C@@](O)(CCO)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,,Acemetacin,DB00627
3649,3649,3649,"KD7040 is a topically-delivered inducible nitric oxide synthase (iNOS) inhibitor for the treatment of neuropathic pain. The KD7040 IND was filed in 4Q06, and a Phase Ib clinical trial began 2Q07. It is being developed by Kalypsys.",,,Lenograstim,DB07705
3650,3650,3650,Nocodazole is an antineoplastic agent which exerts its effect by depolymerizing microtubules.,COC(=O)NC1=NC2=CC(=CC=C2N1)C(=O)C1=CC=CS1,,Buprenorphine,DB06190
3651,3651,3651,Not Available,NCCNC1=CC(C2=CC=CN2)=C2C(=O)NC3=CC=C(F)C1=C23,,"(2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid",DB02432
3652,3652,3652,Not Available,OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O,,"N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)-4-morpholin-4-yl-4-oxobutanamide",DB02518
3653,3653,3653,Gilteritinib is an AXL receptor tyrosine kinase inhibitor used to treat relapsed or refractory acute myeloid leukemia.,CCC1=C(NC2CCOCC2)N=C(NC2=CC=C(N3CCC(CC3)N3CCN(C)CC3)C(OC)=C2)C(=N1)C(N)=O,,Ixekizumab,DB04665
3654,3654,3654,Buserelin is a LHRH agonist used for the palliative treatment of hormone-dependent advanced carcinoma of the prostate gland in males and treatment of endometriosis in females.,,,Acylated ceftazidime,DB02187
3655,3655,3655,Not Available,CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC,,Malate Like Intermediate,DB06094
3656,3656,3656,Not Available,OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1,,[5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE,DB03214
3657,3657,3657,"Nitroglycerin is a nitrate vasodilator used to treat or prevent angina, heart failure, hypertension, and anal fissures.",[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O,,Nanaomycin D,DB09166
3658,3658,3658,Not Available,CC[Si](C)(C)C,,"(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE",DB05194
3659,3659,3659,"MLN0415 is a novel, small molecule IKK2 inhibitor, discovered by Millennium scientists. In preclinical studies, MLN0415 was shown to decrease NF-kB activation and down-regulate the expression of a number of inflammatory proteins. Because inflammatory proteins play a critical role in inflammation and drive the inflammatory response to disease, controlling these proteins may prevent or slow disease progression.",,,"8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE",DB04267
3660,3660,3660,Not Available,[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O,,7-cyano-7-deazaguanine,DB01192
3661,3661,3661,Not Available,CCOP(=O)(CC1=CC=C(C)C=C1)OCC,,"8,9-Dichloro-2,3,4,5-Tetrahydro-1h-Benzo[C]Azepine",DB07456
3662,3662,3662,Tolazoline is a vasodilator used to treat pulmonary artery anomalies.,C(C1=NCCN1)C1=CC=CC=C1,,3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER,DB05869
3663,3663,3663,Oxybuprocaine is a local anesthetic used in ophthalmology.,CCCCOC1=CC(=CC=C1N)C(=O)OCCN(CC)CC,,Cyproterone acetate,DB03199
3664,3664,3664,Not Available,OCCCCC(O)=O,,Brivudine monophosphate,DB03481
3665,3665,3665,Flupentixol is a thioxanthene neuroleptic used to treat schizophrenia and depression.,[H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,,Thiocoumarin,DB08485
3666,3666,3666,"Larotrectinib is a kinase inhibitor used to treat solid tumors with neurotrophic receptor tyrosine kinase gene fusion, are metastatic, high risk for surgery, or have no alternative treatments.",O[C@H]1CCN(C1)C(=O)NC1=C2N=C(C=CN2N=C1)N1CCC[C@@H]1C1=C(F)C=CC(F)=C1,,N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE,DB06887
3667,3667,3667,"Elacytarabine is a fatty acid derivative of cytarabine, an approved cytotoxic cancer drug. Cytarabine has limitations such as minimal uptake in solid tumours and is only used to treat leukaemia. Elacytarabine is designed to overcome this limitation and has shown considerable uptake in solid tumour cells. Elacytarabine is a patented new chemical entity of the nucleoside analog class, with improved biological properties and the potential to treat solid tumours such as non-small cell lung cancer, malignant melanoma and ovarian cancer.",CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,,Myricetin,DB08704
3668,3668,3668,Human Rho(D) immune globulin is a solution of antibodies used to prevent isoimmunization of Rho(D) negative patients exposed to Rho(D) positive blood in pregnancy or transfusion.,,,Foretinib,DB08631
3669,3669,3669,"MMDA, or 3-methoxy-4,5-methylenedioxyamphetamine, is a member of the amphetamine drug class with stimulant and psychedelic properties. It also acts as an entheogen and an entactogen. MMDA bears resemblance to the psychopharmacologically active essential oils elemicin and myristicin found in nutmeg. The effects of MMDA includes feelings of euphoria and warmth, as well as realistic closed-eye visuals.",COC1=CC(CC(C)N)=CC2=C1OCO2,,"3-Decyl-2,5-Dioxo-4-Hydroxy-3-Pyrroline",DB13751
3670,3670,3670,Not Available,O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1,,Zebularine,DB00328
3671,3671,3671,Azacitidine is a pyrimidine nucleoside analogue used to treat certain subtypes of myelodysplastic syndrome.,NC1=NC(=O)N(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,"2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE",DB00613
3672,3672,3672,Disulfiram is a carbamate derivative used to treat alcohol addiction.,CCN(CC)C(=S)SSC(=S)N(CC)CC,,Dihydrofolic Acid,DB01622
3673,3673,3673,Lutetium Lu 177 dotatate is a radiolabeled somatostatin analog used to treat somatostatin receptor positive gastroenteropancreatic neuroendocrine tumors.,[177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,,N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide,DB00914
3674,3674,3674,Not Available,N[C@@H](CCC(=O)N[C@@H](CSCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,,"N,N-Bis(4-Chlorobenzyl)-1h-1,2,3,4-Tetraazol-5-Amine",DB03044
3675,3675,3675,A long-acting barbiturate that depresses most metabolic processes at high doses. It is used as a hypnotic and sedative and may induce dependence. Barbital is also used in veterinary practice for central nervous system depression. Barbital is a schedule IV controlled drug.,CCC1(CC)C(=O)NC(=O)NC1=O,,"2,3-Bis-Benzo[1,3]Dioxol-5-Ylmethyl-Succinic Acid",DB00341
3676,3676,3676,Not Available,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,,"S-METHYL-4,5,6,7-TETRABROMO-BENZIMIDAZOLE",DB00705
3677,3677,3677,Not Available,CC1=CC(NC2=NC(NC3=CC=C(CC(O)=O)C=C3)=NC=C2C(N)=O)=CC=C1,,Tianeptine,DB03098
3678,3678,3678,"Rolicyclidine (PCPy) is classified as a dissociative anesthetic agent. It also has hallucinogenic and sedative properties. Because of its pharmacodynamic similarity to the drug phencyclidine (PCP), rolicyclidine was added to the Schedule I list of illegal drugs in the USA in the 1970s.",C1CCN(C1)C1(CCCCC1)C1=CC=CC=C1,,Pipradrol,DB08532
3679,3679,3679,"Secretin human is a secretin hormone used to stimulate pancreatic or gastric secretions to diagnose exocrine pancreas dysfunction, gastrinoma, and abnormalities in the bile and pancreatic ducts.",,HSDGTFTSELSRLREGARLQRLLQGLV,Tmr,DB01306
3680,3680,3680,"XmAb 2513 is a humanized monoclonal antibody that targets the antigen CD30, a molecule expressed on the surface of a number of tumor cell types. It has been investigated for the treatment of hodgkin’s lymphoma.",,,"N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE",DB03616
3681,3681,3681,Not Available,[H][C@](N)(COP(=O)(OCC)OCC)C(O)=O,,7-Keto-8-Aminopelargonic Acid,DB07650
3682,3682,3682,Josamycin is a macrolide antibiotic used for the treatment of various susceptible bacterial infections.,CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H]([C@H]1O)N(C)C)OC(C)=O,,CTS-21166,DB02075
3683,3683,3683,Rufinamide is an antiepileptic drug used as adjunctive therapy to treat seizures associated with Lennox-Gastaut Syndrome (LGS).,NC(=O)C1=CN(CC2=C(F)C=CC=C2F)N=N1,,(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE,DB04124
3684,3684,3684,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=NC3=CC(C)=CC=C3S2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Doxercalciferol,DB02016
3685,3685,3685,"Flavoring agent sweeter than sugar, metabolized as phenylalanine and aspartic acid.",COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(O)=O,,Miglustat,DB01921
3686,3686,3686,GPX-100 is an anthracycline anticancer drug that belongs to the family of drugs called antitumor antibiotics.,COC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(CCO)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1,,Chromium,DB02447
3687,3687,3687,Zalutumumab is a fully human IgG1 monoclonal antibody designed to bind with selectivity to the epidermal growth factor receptor (EGFR). Zalutumumab has been investigated for the treatment of Squamous Cell Cancer and Head and Neck Cancer.,,QVQLVESGGGVVQPGRSLRLSCAASGFTFSTYGMHWVRQAPGKGLEWVAVIWDDGSYKYYGDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDGITMVRGVMKDYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"1,2-Dihydroxybenzene",DB15170
3688,3688,3688,"Custirsen is a benzopyran with potential antineoplastic activity. Custirsen acts as a selective estrogen receptor modulator (SERM), inhibiting the proliferation of estrogen-sensitive breast cancer cells. This agent also inhibits growth and induces apoptosis of glioblastoma cells via a mechanism independent of estrogen receptor-related mechanisms. Custirsen is also being investigated in the treatment of primary brain tumors.",,,Methicillin Acyl-Serine,DB01614
3689,3689,3689,Not Available,[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1,,Cyclacillin,DB01799
3690,3690,3690,Not Available,FC(F)(F)C1=CC(NC2=NOC3=C(C(=O)NC4=CN=CN=C4)C(Cl)=CC=C23)=CC=C1,,HGS-TR2J,DB11723
3691,3691,3691,"Azathioprine is an immunosuppressant used to prevent renal transplant rejection, treat rheumatoid arthritis, Crohn's disease, and ulcerative colitis.",CN1C=NC(=C1SC1=NC=NC2=C1NC=N2)[N+]([O-])=O,,Nitazoxanide,DB08482
3692,3692,3692,Not Available,CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1,,"[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID",DB04805
3693,3693,3693,Not Available,N1C=C(C(=N1)C1=NC=CC=C1)C1=C2C=CC=CC2=NC=C1,,Efbemalenograstim alfa,DB00929
3694,3694,3694,"Entospletinib has been used in trials studying the treatment of Oncology, Follicular Lymphoma, B-cell Malignancies, Mantle Cell Lymphoma, and Non-Hodgkin Lymphoma, among others.",C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1,,Jaspisamide A,DB02062
3695,3695,3695,Not Available,CC1=CN([C@H]2C[C@H](F)[C@@H](CO)O2)C(=O)NC1=O,,4-phospho-D-erythronic acid,DB08081
3696,3696,3696,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OCCCCC)[C@@]1([H])O,,Conestat alfa,DB02665
3697,3697,3697,A specific bacteriochlorophyll that is similar in structure to CHLOROPHYLL A.,[Mg++].CC[C@@H]1[C@@H](C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=C4[N-]\C(=C/C1=N2)C(C)=C4C(=O)[C@@H]3C(=O)OC,,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE",DB07921
3698,3698,3698,"SEP-363856 is a novel psychotropic drug being investigated for the treatment of schizophrenia. Unlike other drugs used for this condition, SEP-363856 does not bind to the dopamine D2 receptors, but exerts actions on the trace amine–associated receptor 1 (TAAR1) and 5-hydroxytryptamine type 1A (5-HT1A).1",CNC[C@@H]1OCCC2=C1SC=C2,,Fosinopril,DB11653
3699,3699,3699,Not Available,CN(C)C1=CC=C(C=C1)C(O)=O,,"2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID",DB00173
3700,3700,3700,Nirogacestat is a gamma-secretase inhibitor used to treat desmoid tumors,CCC[C@H](N[C@H]1CCC2=CC(F)=CC(F)=C2C1)C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C,,Alsterpaullone,DB01998
3701,3701,3701,Not Available,ClC1=C(NC2=NC=C(N3C=NC=C23)C2=CC=CC=C2)C=CC=C1,,Aceglutamide,DB02123
3702,3702,3702,Choline alfoscerate is a natural choline that is used to manage declining cognitive function associated with neurodegenerative and vascular diseases.,[H][C@@](O)(CO)COP([O-])(=O)OCC[N+](C)(C)C,,Cyclosporine,DB02148
3703,3703,3703,"Imlifidase is a cysteine protease that specifically cleaves human IgG antibodies, facilitating kidney transplantation in HLA sensitized patients.",,,Linifanib,DB01853
3704,3704,3704,Not Available,CC1=C(C=C)C2=CC3=[N+]4C(=CC5=C(C)C(CCC(O)=O)=C6N5[Fe]44N2C1=CC1=[N+]4C(C(CCC(O)=O)=C1C)=C6C1=CC=CC=C1)C(C=C)=C3C,,"4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE",DB02602
3705,3705,3705,"Glycyrrhizic acid is extracted from the root of the licorice plant; Glycyrrhiza glabra.11 It is a triterpene glycoside with glycyrrhetinic acid that possesses a wide range of pharmacological and biological activities. When extracted from the plant, it can be obtained in the form of ammonium glycyrrhizin and mono-ammonium glycyrrhizin.8 Glycyrrhizic acid has been developed in Japan and China as a hepatoprotective drug in cases of chronic hepatitis.1 From January 2014, glycyrrhizic acid as part of the licorice extract was approved by the FDA as an existing food sweetener.12 It was approved by Health Canada to be used in over-the-counter products but all the products are currently on the status canceled post marketed.10",[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,,"2-[4-(Hydroxy-Methoxy-Methyl)-Benzyl]-7-(4-Hydroxymethyl-Benzyl)-1,1-Dioxo-3,6-Bis-Phenoxymethyl-1lambda6-[1,2,7]Thiadiazepane-4,5-Diol",DB02925
3706,3706,3706,"Solabegron (GW-427,353) is a selective β3 adrenoceptor agonist being developed for the treatment of overactive bladder and irritable bowel syndrome.",[H][C@](O)(CNCCNC1=CC(=CC=C1)C1=CC(=CC=C1)C(O)=O)C1=CC=CC(Cl)=C1,,Cinitapride,DB08057
3707,3707,3707,Not Available,OC(=O)CCCCCCCCCCS,,({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester,DB00047
3708,3708,3708,Not Available,NC(O)=O,,"4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline",DB09041
3709,3709,3709,"Limaprost is an oral prostaglandin E1 analogue used to improve symptoms associated with thromboangiitis obliterans, acquired lumbar spinal canal stenosis, and other ischemic conditions.",CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O,,3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE,DB06678
3710,3710,3710,"Ezatiostat is investigated in clinical trials for treating myelodysplastic syndrome. This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. This medication is known to target Glutathione S-transferase P. Ezatiostat is a small molecule drug that is an analog inhibitor of glutathione S-transferase P1-1. It acts intracellularly on the MAPK signaling pathway by activating ERK2. Ezatiostat has myelostimulant activity in preclinical rodent models and human bone marrow cultures, and differentiates granulocytes and monocytes in HL60 cells. Ezatiostat is a candidate designed to stimulate the formation of bone marrow cells that are precursors to granulocytes and monocytes (white blood cells), erythrocytes (red blood cells) and platelets. Many conditions are characterized by depleted bone marrow, including myelodysplastic syndrome (MDS), a form of pre-leukemia in which the bone marrow produces insufficient levels of one or more of the 3 major blood elements (white blood cells, red blood cells and platelets). It might also be relevant as an adjunct therapy since a reduction in blood cell levels is also a common, toxic effect of many standard chemotherapeutic drugs.",CCOC(=O)[C@@H](N)CCC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)OCC)C1=CC=CC=C1,,Grazoprevir,DB05098
3711,3711,3711,Heptabarbital is an intermediate or short term barbiturate used mainly for sedation and hypnosis.,CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,,CVT-6883,DB04013
3712,3712,3712,Polymeric phosphoric acid ester of estradiol.,,,XL999,DB03108
3713,3713,3713,Not Available,OC1=CC=C(C=C1)C1=C(Br)C2=C(C=C(O)C=C2)C1=O,,4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME,DB07310
3714,3714,3714,Not Available,CC(O)(C(O)=O)C1=CC=CC=C1,,Benzylamine,DB02353
3715,3715,3715,Not Available,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C1=C2N=C[N+](C)=C(N)C2=NN1,,Chlordiazepoxide,DB14639
3716,3716,3716,"ER modulator, ERA-923(Pipendoxifene) is a estrogen receptor modulator being evaluated for the treatment of breast cancer. Pipendoxifene is a new 2-phenyl indole selective estrogen receptor modulators (SERM )that exhibits an excellent preclinical pharmacological profile and was selected for further development as a treatment for metastatic breast cancer.",CC1=C(N(CC2=CC=C(OCCN3CCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1,,BMS-181156,DB01081
3717,3717,3717,Not Available,NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,,D-Levofloxacin,DB01775
3718,3718,3718,Not Available,O[P@@](=O)(OCC1=CC=CC=C1)OC1=C(C=O)C=CC=C1,,Pentaerythritol tetranitrate,DB05423
3719,3719,3719,Not Available,CCN=O,,"6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE",DB00629
3720,3720,3720,"Olaparib is a poly (ADP-ribose) polymerase (PARP) inhibitor used to treat ovarian cancer, breast cancer, pancreatic cancer, and prostate cancer.",FC1=CC=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1C(=O)N1CCN(CC1)C(=O)C1CC1,,Furoyl-Leucine,DB06533
3721,3721,3721,Not Available,CN(CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)C(=O)NO,,Neomycin,DB04089
3722,3722,3722,Not Available,[H][C@@](C)(N)C(=O)CCCCCC(O)=O,,Tricetin,DB07255
3723,3723,3723,Not Available,CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1,,"(3s)-3,4-Di-N-Hexanoyloxybutyl-1-Phosphocholine",DB05458
3724,3724,3724,Cadaverine is a foul-smelling diamine formed by bacterial decarboxylation of lysine.,NCCCCCN,,Dienogest,DB04908
3725,3725,3725,Not Available,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=C(NC(=O)CCC(=O)N2CCOCC2)C=CC(Br)=C1,,Olsalazine,DB08163
3726,3726,3726,"Selgantolimod is under investigation in clinical trial NCT03491553 (Safety, Tolerability and Antiviral Activity of Selgantolimod in Virally-suppressed Adults With Chronic Hepatitis B).",CCCC[C@@](C)(CO)NC1=NC(N)=NC2=C1N=CC(F)=C2,,Nitric Oxide,DB08927
3727,3727,3727,"Diphenhydramine is a H1 receptor antihistamine used in the treatment of seasonal allergies, and various allergic reactions including sneezing, runny nose, itchy/watery eyes, itching of nose or throat, pruritus, urticaria, insect bites/stings, and allergic rashes.",CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1,,Didesmethylrocaglamide,DB07170
3728,3728,3728,Not Available,[H]N=C(C)N1CCC(CC1)OC1=CC2=C(C=C1)N=C(C)N2CC1=CC2=C(C=C1)C=CC(=C2)C(N)=[NH2+],,N-[O-Phosphono-Pyridoxyl]-Isoleucine,DB06780
3729,3729,3729,Spirapril is an ACE inhibitor antihypertensive drug used to treat hypertension. Spirapril is converted to the active spiraprilat after administration. ACE inhibitors are used primarily in treatment of hypertension and congestive heart failure.,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2,,S-oxy-L-cysteine,DB01345
3730,3730,3730,Not Available,COC1=C(F)C=C(CSC2=NN=C(O2)C2=CC3=C(OCO3)C=C2)C=C1,,1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE,DB02400
3731,3731,3731,Nabumetone is an NSAID used to treat osteoarthritis and rheumatoid arthritis.,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2,,AT1391,DB04206
3732,3732,3732,Not Available,CC1=CC(=CC(C)=C1O)\N=N\C1=CC=CC=C1C(O)=O,,Phenylalanine,DB03194
3733,3733,3733,Not Available,[H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Thiodigalactoside,DB05060
3734,3734,3734,Not Available,NC(=[NH2+])C1=CC=C2NC(=NC2=C1)C1=CC(OC(F)(F)F)=CC=C1[O-],,"(3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",DB01582
3735,3735,3735,Not Available,OC(=O)C1=C(C=CC=C1)C1C2=CC=C(O)C=C2OC2=CC(O)=CC=C12,,Coumarin,DB06890
3736,3736,3736,Ciprofloxacin is a second generation fluoroquinolone used to treat various susceptible bacterial infections.,OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O,,Levocetirizine,DB07723
3737,3737,3737,Not Available,[H][C@@]1(CC2=CC(C)=C(C=C2S(=O)(=O)N1)S(=O)(=O)N1CCN(C)CC1)C1CCCC1,,Plitidepsin,DB05607
3738,3738,3738,Not Available,[H][C@@]1(CO)CC[C@@]([H])(O1)N1C=NC2=C1N=C(Cl)N=C2N,,F-Loop of Vitamin B12,DB12941
3739,3739,3739,Metixene (or methixene) is a anticholinergic used as an antiparkinsonian agent.,CN1CCCC(CC2C3=CC=CC=C3SC3=CC=CC=C23)C1,,METHYL(2-ACETOXY-2-(2-CARBOXY-4-AMINO-PHENYL))ACETATE,DB12001
3740,3740,3740,Not Available,NC1=C(C=NN1C1=CC=C(F)C=C1)C(=O)C1=CC(OC2CCNCC2)=CC=C1,,"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide",DB15719
3741,3741,3741,Not Available,[H][C@@](CCSC)(NC(=O)[C@]1([H])CC[C@]([H])(C)CC1)C(=O)NC1=CC=NC=C1,,Tromethamine,DB02514
3742,3742,3742,Fingolimod is a sphingosine 1-phosphate receptor modulator used to treat patients with the relapsing-remitting form of multiple sclerosis (MS) and studied to manage lung complications of COVID-19.,CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1,,Carbimazole,DB11597
3743,3743,3743,Not Available,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@]1([H])CC[C@@]2([H])CC1)C1=CC=C(C2=CC=CC=C12)[N+]([O-])=O,,"(2s,5s)-5-Carboxymethylproline",DB01020
3744,3744,3744,Not Available,CC1=C(O)C=CC=C1C(=O)NC1=C2C=C(C=CC2=CC=C1)C(N)=N,,"4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid",DB04545
3745,3745,3745,Not Available,O=C(NC1=CC=CC=C1)NC1=CC=CC=C1,,Neflamapimod,DB01993
3746,3746,3746,Not Available,NC(=O)C1=C(C2=CC(Br)=CC=C2N1)S(=O)(=O)N1CCCC1,,Zopiclone,DB00534
3747,3747,3747,Not Available,C1(CC[C@@]2([C@@H](CC(N)=O)[C@@]3([C@@]4([N+]5=C([C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C(C)=C4[N+]6=C(C=C7[N+]8=C([C@H](C7(C)C)CCC(N)=O)C(C)=C2N3[Co-3]568([N+]2=CN([C@H]3O[C@@H]([C@@H](OP(O[C@@H](CN1)C)([O-])=O)[C@H]3O)CO)C1=CC(C)=C(C=C21)C)C)[C@H]([C@@]4(CC(N)=O)C)CCC(N)=O)C)[H])C)=O,,Ropivacaine,DB02676
3748,3748,3748,Not Available,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Ezatiostat,DB03343
3749,3749,3749,Bisoprolol is a beta-1 adrenergic blocking agent used to prevent myocardial infarction and heart failure and to treat mild to moderate hypertension.,CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1,,Dansyllysine,DB03817
3750,3750,3750,"Imidacloprid is a neonicotinoid, which is a class of neuro-active insecticides modeled after nicotine. Imidacloprid is a patented chemical, Imidacloprid is manufactured by Bayer Cropscience (part of Bayer AG) and sold under trade names Kohinor, Admire, Advantage, Gaucho, Merit, Confidor, Hachikusan, Premise, Prothor, and Winner. It is marketed as pest control, seed treatment, an insecticide spray, termite control, flea control, and a systemic insecticide.",[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1,,"1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE",DB06966
3751,3751,3751,Not Available,[H]N1C(=O)\C(C2=C1C=CC=C2)=C1/N([H])C2=CC=CC=C2/C/1=N\OCC[C@@]([H])(O)CO,,1-Deoxy-Ribofuranose-5'-Phosphate,DB03021
3752,3752,3752,"Finerenone is a nonsteroidal mineralocorticoid receptor antagonist indicated to lower the risk of eGFR decline, end stage kidney disease, cardiovascular death, heart attack, and hospitalization for heart failure in chronic kidney disease associated with type 2 diabetes.",CCOC1=NC=C(C)C2=C1[C@H](C1=CC=C(C=C1OC)C#N)C(C(N)=O)=C(C)N2,,Ribociclib,DB08149
3753,3753,3753,"Thymectacin, a phosphoramidate derivative of (E)-5-(2-bromovinyl)-2'-deoxyuridine, is a novel small molecule anticancer agent. Thymectacin is selectively active against tumor cells expressing high levels of thymidylate synthase (TS), a critical enzyme in DNA biosynthesis. Thymectacin was as efficacious as irinotecan, a drug recently approved for the treatment of 5-fluorouracil-resistant colon cancer.",COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O)OC1=CC=CC=C1,,"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid",DB00827
3754,3754,3754,Not Available,OCCNC(=O)C1=CC=C(Cl)C=C1,,"1-{4-[4-Amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea",DB06817
3755,3755,3755,Not Available,[H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC,,Lasmiditan,DB07287
3756,3756,3756,Not Available,[O-][Cl](=O)(=O)=O,,"N-(TERT-BUTYL)-3,5-DIMETHYL-N'-[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)CARBONYL]BENZOHYDRAZIDE",DB05084
3757,3757,3757,"Lanreotide is a somatostatin analog used for the treatment of unresectable, well- or moderately-differentiated, locally advanced or metastatic gastroenteropancreatic neuroendocrine tumors and acromegaly.",[H]N([H])CCCCC1N([H])C(=O)C(CC2=CN([H])C3=CC=CC=C23)N([H])C(=O)C(CC2=CC=C(O)C=C2)N([H])C(=O)C(CSSCC(N([H])C(=O)C(N([H])C1=O)C(C)C)C(=O)N([H])C(C(C)O)C(=O)N([H])[H])N([H])C(=O)C(CC1=CC2=CC=CC=C2C=C1)N([H])[H],,Triclosan,DB12169
3758,3758,3758,"Bupranolol is a non-selective beta blocker with potency similar to propanolol. It does not have intrinsic sympathomimetic activity (ISA), but does have strong membrane stabilizing activity.",CC1=CC(OCC(O)CNC(C)(C)C)=C(Cl)C=C1,,"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE",DB12852
3759,3759,3759,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC(F)=C1F,,XL281,DB07917
3760,3760,3760,Not Available,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O,,"2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DB03338
3761,3761,3761,Bulevirtide is a drug for the treatment of chronic Hepatitis D infection in adults with compensated liver disease.,,,"2,6-Diamino-8-(1h-Imidazol-2-Ylsulfanylmethyl)-3h-Quinazoline-4-One",DB01982
3762,3762,3762,"Perospirone is an atypical or second-generation antipsychotic of the azapirone family that antagonizes serotonin 5HT2A receptors and dopamine D2 receptors. It also displays affinity towards 5HT1A receptors as a partial agonist. Dainippon Sumitomo Pharma developed perospirone in Japan in 2001 for the treatment of acute schizophrenia and bipolar mania as well as chronic schizophrenia. It is commonly present as the hydrated hydrochloride salt form. Classified as a neuroleptic agent, perospirone is shown to be effective against positive, negative and general symptoms in patients with schizophrenia 1. It is also shown to be less associated with extrapyramidal symptoms as a side effect compared to Haloperidol.",[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O,,(2R)-2-Acetamido-3-(octadecyloxy)propyl 2-(methylsulfanyl)ethyl hydrogen phosphate,DB09065
3763,3763,3763,Not Available,[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O,,IDD594,DB07175
3764,3764,3764,Argatroban is a synthetic direct thrombin inhibitor used for the prevention and treatment of thrombosis related to heparin use.,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=C1NCC(C)C2,,"(6S)-5,6,7,8-tetrahydrofolic acid",DB08652
3765,3765,3765,Beclomethasone dipropionate is an inhaled corticosteroid used as maintenance treatment in the prophylaxis of asthma attacks.,[H][C@@]12C[C@H](C)[C@](OC(=O)CC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Cintredekin besudotox,DB04451
3766,3766,3766,Travoprost is a prostaglandin analog used in the treatment of elevated intraocular pressure due to open angle glaucoma or ocular hypertension.,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1\C=C\[C@@H](O)COC1=CC=CC(=C1)C(F)(F)F,,Methyl beta-L-fucopyranoside,DB02163
3767,3767,3767,Not Available,[H][C@@](C)(N)[P@](O)(=O)C[C@@]([H])(CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N[C@@]([H])(C)C(O)=O,,Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine,DB07578
3768,3768,3768,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=CC=C1F,,tert-butanol,DB03892
3769,3769,3769,Not Available,CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1,,DoxacuriumCommonly known or available as Doxacurium chloride,DB00259
3770,3770,3770,"ISS 1018 is a short, synthetic, unmethylated CpG oligodeoxynucleotide (CpG ODN) with immunostimulatory activity. ISS 1018 signals through Toll-like receptor 9 (TLR9) to induce the production of immunoglobulin by B cells and interferon (IFN) -alpha, IFN-beta, interleukin-12 (IL-12), and tumor necrosis factor - alpha (TNF-alpha) by plasmacytoid dendritic cells (pDC). ISS 1018 CpG ODN promotes antigen presentation and co-stimulatory molecule expression. ISS 1018 is currently being investigated in combination with HBsAg vaccine as a prophylactic treatment for to prevent Hepatitis B in adults. It is also being investigated in combination with rituximab for treatment of b-cell or non-hodgkin's lymphoma.",,,Aspartate beryllium trifluoride,DB04129
3771,3771,3771,Caplacizumab is a von Willebrand factor (vWF)-directed antibody fragment used to treat acquired thrombotic thrombocytopenic purpura (aTTP).,,EVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSSAAAEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSS,Reteplase,DB06228
3772,3772,3772,9-(4-hydroxybutyl)-N2-phenylguanine is a solid. This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. 9-(4-hydroxybutyl)-n2-phenylguanine is known to target thymidine kinase.,OCCCCN1C=NC2=C1N=C(NC1=CC=CC=C1)NC2=O,,Ubenimex,DB04082
3773,3773,3773,"Vemurafenib is a kinase inhibitor used to treat patients with Erdheim-Chester Disease who have the BRAF V600 mutation, and melanoma in patients who have the BRAF V600E mutation.",CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1,,2-aminoethyl naphthalen-1-ylacetate,DB00902
3774,3774,3774,Geptanolimab is under investigation in clinical trial NCT03502629 (Clinical Trial in Chinese Patients of Relapsed and Refractory Peripheral T Cell Lymphoma (GB226)).,,,Tridolgosir,DB07996
3775,3775,3775,Not Available,[H]P(=O)(OCC)OCC,,M-Cresol,DB00823
3776,3776,3776,Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety.,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,,N-[(6-butoxynaphthalen-2-yl)sulfonyl]-D-glutamic acid,DB11841
3777,3777,3777,Not Available,[H]N([H])CCCCN([H])CCCN([H])C(=O)CN([H])C(=O)[C@H](CSSC[C@H](N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O)C(=O)N([H])CC(=O)N([H])CCCN([H])CCCCN([H])[H])N([H])C(=O)CC[C@@H](N([H])[H])C(O)=O,,Motixafortide,DB06421
3778,3778,3778,"Liothyronine is a thyroid hormone replacement therapy used to treat hypothyroidism, to suppress TSH, and to help in the diagnosis of hyperthyroidism.",N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O,,RU90395,DB09036
3779,3779,3779,"The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.",[H][C@](O)(CCCCC)\C=C\[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C=C/CCCC(O)=O,,"2-{2-hydroxy-[1,1'-biphenyl]-3-yl}-1H-1,3-benzodiazole-5-carboximidamide",DB01878
3780,3780,3780,"Chorionic Gonadotropin (Human) is a naturally-occurring hormone produced during human placenta used for the treatment of prepubertal cryptorchidism and hypogonadotropic hypogonadism in selected males, and induction of pregnancy in selected infertile women.",,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID,DB06619
3781,3781,3781,"Idraparinux, a synthetic pentasaccharide is an antithrombin-dependent inhibitor of activated factor X. It was developed for the treatment and prevention of thromboembolic events. However, clinical trials have revealed that idraparinux had lead to bleeding. As a result, Sanofi stopped the development of the drug.",[H][C@]1(O[C@H]2[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]3[C@@H](COS(O)(=O)=O)O[C@]([H])(O[C@H]4[C@H](OC)[C@@H](OC)[C@]([H])(O[C@@H]5[C@@H](COS(O)(=O)=O)O[C@H](OC)[C@H](OS(O)(=O)=O)[C@H]5OS(O)(=O)=O)O[C@H]4C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3OS(O)(=O)=O)O[C@@H]2C(O)=O)O[C@H](COS(O)(=O)=O)[C@@H](OC)[C@H](OC)[C@H]1OC,,Piribedil,DB01851
3782,3782,3782,Not Available,NC(N)=NC1=CC=C(CC(NC(=O)CSC2=CC=C(Cl)C=C2)C(N)=O)C=C1,,4-Methylimidazole,DB03493
3783,3783,3783,Not Available,[H][C@@]1(CC[N@@+](C)([O-])CC1)[Si](C)(C)C1=CC=CC=C1,,"5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide",DB08524
3784,3784,3784,Coltuximab ravtansine (SAR3419) targets CD19 and is being investigated for the treatment of acute lymphoblastic leukemia (ALL).,,,"5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide",DB07381
3785,3785,3785,Romilkimab is under investigation in clinical trial NCT02345070 (Efficacy and Safety of SAR156597 in the Treatment of Idiopathic Pulmonary Fibrosis).,,,Hydrocortisone,DB03740
3786,3786,3786,Sofosbuvir is a direct-acting antiviral agent used to treat specific hepatitis C virus (HCV) infections in combination with other antiviral agents.,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)OC1=CC=CC=C1,,Trehalose-6-Phosphate,DB02181
3787,3787,3787,Not Available,NC1=NC2=C(N(CO)[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1,,"3,4-Dihydroxy-1-Methylquinolin-2(1h)-One",DB04239
3788,3788,3788,Oxandrolone is an androgenic hormone used to treat muscle loss from prolonged corticosteroid treatment and to treat bone pain associated with osteoporosis.,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C,,Phenylboronic acid,DB08649
3789,3789,3789,Not Available,[H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O,,Fludrocortisone,DB05246
3790,3790,3790,Not Available,CN1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CC=C2C=C1,,L-1-naphthyl-2-acetamido-ethane boronic acid,DB04000
3791,3791,3791,TO-901317 is an LXRalpha and LXRbeta agonist.,OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C1=CC=CC=C1)(C(F)(F)F)C(F)(F)F,,3-FORMYL-2-HYDROXY-5-METHYL-HEXANOIC ACID HYDROXYAMIDE,DB02168
3792,3792,3792,"Talimogene laherparepvec is a genetically modified virus used to treat recurrent melanoma, or metastatic melanoma.",,,"(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL",DB01129
3793,3793,3793,Not Available,CCCCB(O)O,,2-Fluoroaniline,DB08073
3794,3794,3794,"Pralnacasan is an orally bioavailable pro-drug of a potent, non-peptide inhibitor of interleukin-1beta converting enzyme (ICE).",CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)C1=NC=CC2=CC=CC=C12,,Cemiplimab,DB00555
3795,3795,3795,Not Available,CC1=C(CNC2=CC=CC3=NC=CC=C23)C=NC2=NC(N)=NC(N)=C12,,"3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid",DB00127
3796,3796,3796,Not Available,[H][C@]1(CN)CN(CCO1)C1=C(Br)C=NC2=C1C=NN2,,Chromic chloride,DB03336
3797,3797,3797,Not Available,[H][C@@]1(CN(CC2=C1C=CC(C)=C2C)C(=O)N(C)C)C1=CC(O)=CC=C1,,Cellotetraose,DB00505
3798,3798,3798,Hydroxyprogesterone caproate is a synthetic progestin used for the prevention of spontaneous preterm births in singleton pregnancies in women who have previously had a spontaneous preterm birth.,[H][C@@]12CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Moexipril,DB04105
3799,3799,3799,Dexrazoxane is a cytoprotective drug used to prevent and improve cardiomyopathy associated with doxorubicin treatment for metastatic breast cancer.,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,,Epinastine,DB15617
3800,3800,3800,Paliperidone is an atypical antipsychotic used in the treatment of schizophrenia and other schizoaffective or delusional disorders.,CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCC(O)C2=N1,,2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID,DB04339
3801,3801,3801,Not Available,CC1=NC=C(C[N+]2=CC=CC(CCO[P@](O)(=O)OP(O)(O)=O)=C2C)C(N)=N1,,Cefotiam,DB06512
3802,3802,3802,Not Available,CC1=C(CCO)SC=N1,,Emedastine,DB01906
3803,3803,3803,"Lometrexol has been used in trials studying the treatment of Lung Cancer, Drug/Agent Toxicity by Tissue/Organ, and Unspecified Adult Solid Tumor, Protocol Specific.",NC1=NC(=O)C2=C(NC[C@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2)N1,,Allantoate,DB00034
3804,3804,3804,Acetylcysteine is a medication that can be used as a mucolytic in patients with certain lung conditions and as an antidote for acetaminophen overdose.,CC(=O)N[C@@H](CS)C(O)=O,,Nifedipine,DB16255
3805,3805,3805,E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease.,[H]\C(C1=CC(OC)=C(C=C1)N1C=NC(C)=C1)=C1\CCCN(C1=O)[C@@]([H])(C)C1=CC=C(F)C=C1,,Ubidecarenone,DB00153
3806,3806,3806,"AGRO100 is an oligonucleotide that functions as an aptamer and binds to nucleolin, a protein found intranuclear in all cells, but uniquely expressed on the surface of tumor cells. Such binding leads to internalization of the complex, and a strong anti-proliferative response in the tumor cell.
Pre-clinical testing demonstrates that the AGRO100 inhibition of nucleolin function produces anti-cancer effects against multiple types of the disease, including lung, prostate, breast, cervical, and colon cancer, as well as malignant melanoma and leukemia.",,,5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID,DB08469
3807,3807,3807,Not Available,CN(C)CC(O)=O,,3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL,DB11607
3808,3808,3808,Not Available,IC1=CC2=C(CCNC2)C=C1,,Insulin aspart,DB07101
3809,3809,3809,Not Available,CC(=[NH2+])C([O-])=O,,Velpatasvir,DB07469
3810,3810,3810,Not Available,CC(C)(C)NC1=NC(N)=C(S1)C(=O)C1=CC=CC=C1,,Elsamitrucin,DB00821
3811,3811,3811,"Pradefovir mesilate (previously known as MB-06886, Hepavir B and remofovir mesylate) is an orally administered small molecule compound that belongs to a novel series of phosphate and phosphonate prodrugs of adefovir. Adefovir (Hepsera) is an acyclic phosphonate analogue of adenine that is used to treat hepatitis B virus. As adefovir is poorly absorbed and associated with a high level of nephrotoxicity, pradefovir mesilate was designed to specifically target the liver and reduce risks to external tissue, especially the kidneys, while improving results of adefovir.",CS(O)(=O)=O.NC1=C2N=CN(CCOC[P@@]3(=O)OCC[C@H](O3)C3=CC(Cl)=CC=C3)C2=NC=N1,,"1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide",DB00748
3812,3812,3812,Not Available,[S-]SSS[S-],,Rhodamine 6G,DB06850
3813,3813,3813,"A viscous, hygroscopic amino alcohol with an ammoniacal odor. It is widely distributed in biological tissue and is a component of lecithin. It is used as a surfactant, fluorimetric reagent, and to remove CO2 and H2S from natural gas and other gases.",NCCO,,beta-D-galactose 6-phosphate,DB09030
3814,3814,3814,"Talbutal, also called 5-allyl-5-sec-butylbarbituric acid, is a barbiturate with a short to intermediate duration of action. Talbutal is a schedule III drug in the U.S.",CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,,CoA-s-acetyl tryptamine,DB07652
3815,3815,3815,"Furosemide is a loop diuretic used to treat hypertension and edema in congestive heart failure, liver cirrhosis, renal disease, and hypertension.",NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(O)=O,,(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE,DB03509
3816,3816,3816,Not Available,COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(=O)=O)C(=O)C1=C(O)N(N=C1)C(C)(C)C,,"N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",DB00039
3817,3817,3817,Not Available,COC(=O)C1=C(C)C=C(OC2=C(O)C(O)=CC(C)=C2)C=C1O,,Pretomanid,DB00622
3818,3818,3818,Oregovomab is a murine monoclonal antibody that attaches to the tumor-associated antigen CA125.,,,"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE",DB15328
3819,3819,3819,Mobocertinib is an oral kinase inhibitor targeted against EGFR and used in the treatment of NSCLC with EGFR exon 20 insertion mutations.,COC1=C(NC2=NC=C(C(=O)OC(C)C)C(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,,"N,N-dimethylglycine",DB01021
3820,3820,3820,Phenprocoumon is an anticoagulant drug used for the prevention of thrombosis.,CCC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,,Olopatadine,DB01200
3821,3821,3821,Not Available,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,,Temocapril,DB02669
3822,3822,3822,Hydrocortisone butyrate is a corticosteroid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses.,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Balanol,DB08075
3823,3823,3823,Acifluorfen is a protoporphyrinogen oxidase inhibitor.,OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O,,"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide",DB14568
3824,3824,3824,"Safinamide is a MAO-B inhibitor used as an add-on treatment to levodopa/carbidopa for Parkinson's disease during ""off"" episodes.",C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,,N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide,DB00102
3825,3825,3825,Cerivastatin is a statin (or HMG CoA reductase inhibitor) used with dietary changes to decrease lipid levels and reduce the risk of cardiovascular events.,COCC1=C(C2=CC=C(F)C=C2)C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)=C(C(C)C)N=C1C(C)C,,N-Acetyl-Serine,DB14731
3826,3826,3826,"YKP1358 is a novel serotonin (5-HT2A) and dopamine (D2) antagonist that has demonstrated potent activity in animals that relates to both positive and negative symptoms of schizophrenia. In addition, the YKP1358 pharmacological profile suggests a very low potential for extrapyramidal side effects.",,,Abaloparatide,DB11136
3827,3827,3827,"Samidorphan is a novel opioid-system modulator, similar to naltrexone, that functions primarily as a μ-opioid receptor antagonist in vivo and is used primarily in combination with antipsychotics to reduce their metabolic dysfunction-associated adverse effects.",NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)C2=C1O,,"2,3-Dimethyl-1,4-naphthoquinone",DB08655
3828,3828,3828,Calcifediol is an active metabolite of vitamin D used to treat hyperparathyroidism as well as to combat hypocalcemia in dialysis patients.,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,,"(2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE",DB15791
3829,3829,3829,Not Available,ClCCCl,,Manitimus,DB07003
3830,3830,3830,"Zuclopenthixol is an antipsychotic indicated for the management of schizophrenia. The acuphase formulation is indicated for initial treatment of acute psychosis or exacerbation of psychosis, while the depot formulation is best for maintenance.",OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1,,Cilostazol,DB08875
3831,3831,3831,Not Available,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC(C)=CC(C)=C1,,Phenazopyridine,DB03153
3832,3832,3832,Not Available,CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,,XL844,DB07964
3833,3833,3833,Not Available,[H][C@@](CC1=CNC2=CC=CC=C12)(NS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1)C(O)=O,,"N-[2-hydroxy-1-indanyl]-5-[(2-tertiarybutylaminocarbonyl)-4(benzo[1,3]dioxol-5-ylmethyl)-piperazino]-4-hydroxy-2-(1-phenylethyl)-pentanamide",DB01588
3834,3834,3834,Not Available,OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(O)=O,,"2,6-dicarboxynaphthalene",DB06860
3835,3835,3835,Not Available,CC(C)CCC(O)=O,,5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide,DB00060
3836,3836,3836,Not Available,CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O,,"4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE",DB03981
3837,3837,3837,Ritanserin has been used in trials studying the treatment of Cocaine-Related Disorders.,CC1=C(CCN2CCC(CC2)=C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(=O)N2C=CSC2=N1,,Molindone,DB00264
3838,3838,3838,Dalfampridine is a potassium channel blocker used for the improvement of motor function in patients with multiple sclerosis (MS).,NC1=CC=NC=C1,,(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE,DB04852
3839,3839,3839,Not Available,NCCCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,,2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol,DB00674
3840,3840,3840,Not Available,CC(C)CCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(O)C=C2)C2=CC(C[C@H](NC(=O)[C@H](C)NC1=O)C(O)=O)=CC=C2O,,Cholic Acid,DB01118
3841,3841,3841,Not Available,CSC[C@H](N)C(O)=O,,Huperzine B,DB05110
3842,3842,3842,Not Available,[H][C@]1(COP(O)([O-])=O)O[C@@]([H])([N+]2=CC=CC(=C2)C(O)=O)[C@]([H])(O)[C@]1([H])O,,Edotecarin,DB03443
3843,3843,3843,Not Available,[H][C@](NCC1=CC=CC=C1)(C1=CC=CC=C1)P(O)(O)=O,,Isoglutamine,DB05332
3844,3844,3844,Not Available,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(NCC4=CC=CC=C4)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Perifosine,DB00129
3845,3845,3845,Not Available,CCCCCCCCCCCCCCCCOC[C@H](CO[P@@]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O,,Ovalicin,DB08019
3846,3846,3846,Citric acid is an anti-chelation additive used in blood collection tubes and as a flavoring and preservative agent in various cosmetic and pharmaceutical products.,OC(=O)CC(O)(CC(O)=O)C(O)=O,,Solriamfetol,DB16309
3847,3847,3847,"Bisegliptin is a compound for the treatment of type 2 diabetes. It is an orally active, dipeptidyl peptidase-IV (DPPIV) inhibitor which lowers blood glucose levels by blocking the degradation of the hormone GLP-1 thereby stimulating glucose-dependent insulin secretion and lowering blood glucose levels without hypoglycemic effects.",[H][C@@]1(F)CN(C(=O)CNC23CCC(CC2)(CC3)C(=O)OCC)[C@@]([H])(C1)C#N,,Trypanothione,DB07876
3848,3848,3848,Brinzolamide is a carbonic anhydrase inhibitor used for the reduction of elevated intraocular pressure in patients with ocular hypertension or open-angle glaucoma.,CCN[C@H]1CN(CCCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Cycloserine,DB02301
3849,3849,3849,"Bivatuzumab (previously BIWA 4) is a humanized monoclonal antibody against CD44 v6. 1,2",,,MLN8054,DB07612
3850,3850,3850,Not Available,[H]N(O)C(=O)C[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC,,Levamisole,DB01954
3851,3851,3851,"Loperamide is a long acting antidiarrheal used to control nonspecific diarrhea and chronic diarrhea caused by inflammatory bowel disease, or gastroenteritis.",CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC=C(Cl)C=C1)(C1=CC=CC=C1)C1=CC=CC=C1,,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone Hydrate,DB07345
3852,3852,3852,Not Available,[H]N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,Bezlotoxumab,DB07355
3853,3853,3853,Tafasitamab is a CD19-directed cytolytic monoclonal antibody used in the treatment of B-cell malignancies.,,,3'-Phosphate-Adenosine-5'-Diphosphate,DB01854
3854,3854,3854,Not Available,NC1=NC=CC(OC2=C(F)C=C(NC(=O)NC(=O)CC3=CC=C(F)C=C3)C=C2)=C1,,Talnetant,DB04446
3855,3855,3855,Carisoprodol is a centrally acting muscle relaxant used to relieve the discomfort associated with various musculoskeletal conditions.,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,,Glutathione disulfide,DB06292
3856,3856,3856,Not Available,CC(=O)N[C@@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O,,"(2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE",DB05449
3857,3857,3857,Ferric cation is an iron supplement indicated in the treatment of iron deficiency anemia.,[Fe+3],,Vinflunine,DB04381
3858,3858,3858,Flucytosine is an antifungal indicated only to treat severe infections throughout the body caused by susceptible strains of Candida or Cryptococcus.,NC1=NC(=O)NC=C1F,,TNP-470,DB03067
3859,3859,3859,Not Available,NCC(=O)NC1=CC=C(OCC2=CC=CC=C2)C=C1,,"1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE",DB02544
3860,3860,3860,Belinostat is a histone deacetylase (HDAC) inhibitor used for the treatment of patients with relapsed or refractory peripheral T-cell lymphoma (PTCL).,ONC(=O)\C=C\C1=CC=CC(=C1)S(=O)(=O)NC1=CC=CC=C1,,Chloramphenicol,DB02491
3861,3861,3861,,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1,,S-Hydroxymethyl Glutathione,DB15489
3862,3862,3862,Not Available,COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)B(O)O,,Methylthioinosine,DB13003
3863,3863,3863,"SR-9011 is a REV-ERB agonist. SR-9011 has been demonstrated that it is specifically lethal to cancer cells and oncogene-induced senescent cells, including melanocytic naevi, and has no effect on the viability of normal cells or tissues 1.",CCCCCNC(=O)N1CCC(CN(CC2=CC=C(S2)[N+]([O-])=O)CC2=CC=C(Cl)C=C2)C1,,Vicriviroc,DB01731
3864,3864,3864,Not Available,COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O,,Altropane,DB13192
3865,3865,3865,Not Available,OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O,,Darusentan,DB00126
3866,3866,3866,"Golimumab is a TNFα inhibitor used in the symptomatic treatment of various active inflammatory disorders, such as rheumatoid arthritis, psoriatic arthritis, ankylosing spondylitis, and ulcerative colitis.",,,"7-Methyl-7,8-dihydroguanosine 5'-(tetrahydrogen triphosphate)",DB02315
3867,3867,3867,A macrolide antibiotic that is similar to erythromycin.,CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,,Uridylyl-2'-5'-phospho-adenosine,DB00920
3868,3868,3868,Not Available,CC1=CC(N)=C(N)C=C1C,,GALACTOSE GREASE,DB08879
3869,3869,3869,"An adrenocortical steroid that has modest but significant activities as a mineralocorticoid and a glucocorticoid. (From Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p1437)",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@]([H])(O)C[C@]12C)C(=O)CO,,Etoricoxib,DB04628
3870,3870,3870,Not Available,[H][C@]1(CN)CN(CCO1)C1=C(C=NC2=C1C=NN2)C1=CC=CC=C1,,"(2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine",DB04198
3871,3871,3871,Ambrisentan is a selective type A endothelin receptor antagonist used to treat primary pulmonary arterial hypertension and pulmonary arterial hypertension based on diagnostic classifications.,COC([C@H](OC1=NC(C)=CC(C)=N1)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1,,Fish oil,DB11569
3872,3872,3872,Not Available,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)CC2)C=C1,,"(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime",DB08640
3873,3873,3873,Not Available,CN1C2=CC=CC=C2C(C#N)(C(=O)NCCC(O)=O)C2=C1C=CC=C2,,{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID,DB08279
3874,3874,3874,Not Available,OC(=O)C1=CC=C(O)C=C1,,Flovagatran,DB07192
3875,3875,3875,Not Available,N[C@@H](CCCC(=C)C(O)=O)C(O)=O,,1-(4-thiophen-2-ylphenyl)methanamine,DB02140
3876,3876,3876,Not Available,O[Hg]C1=CC=C(C=C1)C(O)=O,,6-(Oxalyl-Amino)-1h-Indole-5-Carboxylic Acid,DB00211
3877,3877,3877,"Methyldopa is a centrally-acting alpha-2 adrenergic agonist used to manage hypertension alone or in combination with hydrochlorothiazide, and to treat hypertensive crises.",C[C@](N)(CC1=CC=C(O)C(O)=C1)C(O)=O,,Phenylalanine-N-Sulfonamide,DB02038
3878,3878,3878,Not Available,[H]\C(OC)=C(/[H])[C@]([H])(N)C(O)=O,,Plazomicin,DB09060
3879,3879,3879,Calcium citrate is an ingredient found in a variety of supplements and vitamins.,[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,,Benzimidazole,DB03247
3880,3880,3880,Not Available,CC1=C(O)[C@](C)(SC1=O)\C=C\C=C,,"5-methoxy-N,N-dimethyltryptamine",DB07529
3881,3881,3881,Not Available,CN\C(NCCC[C@H](N)C(O)=O)=N\C,,Tioconazole,DB03352
3882,3882,3882,Dichlorobenzyl alcohol is a medication used to treat a sore throat.,OCC1=C(Cl)C=C(Cl)C=C1,,SD-0006,DB11365
3883,3883,3883,Mexiletine is a class 1B antiarrhythmic agent used in the treatment of documented ventricular arrhythmias that warrant treatment.,CC(N)COC1=C(C)C=CC=C1C,,Midomafetamine,DB08767
3884,3884,3884,Valbenazine is a vesicular monoamine transporter 2 inhibitor used to treat tardive dyskinesia and chorea associated with Huntington's disease.,COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=C1,,Shikimate-3-Phosphate,DB02896
3885,3885,3885,Sodium sulfate is an agent used for bowel cleansing prior to colonoscopy or barium enema X-ray examination.,[Na+].[Na+].[O-]S([O-])(=O)=O,,11-MERCAPTOUNDECANOIC ACID,DB07128
3886,3886,3886,Not Available,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O,,7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE,DB05524
3887,3887,3887,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=C2N=CN=C3[SeH])[C@]([H])(O)[C@]1([H])O,,Bebtelovimab,DB01520
3888,3888,3888,Imdevimab is part of an investigational recombinant monoclonal antibody cocktail used to treat mild to moderate COVID-19.,,,"2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione",DB08383
3889,3889,3889,Not Available,N[C@@H](CC1CCCCC1)C(O)=O,,9-Butyl-8-(3-Methoxybenzyl)-9h-Purin-6-Amine,DB00020
3890,3890,3890,Choriogonadotropin alfa is a recombinant form of human chorionic gonadotropin used to treat female infertility by inducing ovulation.,,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,Diclofenamide,DB08393
3891,3891,3891,Not Available,[NH3+]CCCCO,,C31G,DB00950
3892,3892,3892,Not Available,[H][C@@]1(N)CCCN(C1)C1=NC2=C(C=CC=C2)C(=O)N1CC1=C(C=CC=C1)C#N,,Idronoxil,DB05183
3893,3893,3893,Not Available,OCCOCCOCCO,,Ancestim,DB02530
3894,3894,3894,"Vilanterol is a long-acting beta2-adrenergic agonist used in combination with other bronchodilators for the management of chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema.",OCC1=C(O)C=CC(=C1)[C@@H](O)CNCCCCCCOCCOCC1=C(Cl)C=CC=C1Cl,,Ubrogepant,DB01336
3895,3895,3895,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]2([H])N=C(O[C@@]2([H])[C@]1([H])CO)N=C,,"N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE",DB01400
3896,3896,3896,Not Available,COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1,,"(3S)-Tetrahydro-3-furanyl {(2S,3S)-4-[(2S,4R)-4-{(1S,2R)-2-[(S)-amino(hydroxy)methoxy]-2,3-dihydro-1H-inden-1-yl}-2-benzyl-3-oxo-2-pyrrolidinyl]-3-hydroxy-1-phenyl-2-butanyl}carbamate",DB02918
3897,3897,3897,Heparin is an anticoagulant indicated for thromboprophylaxis and to treat thrombosis associated with a variety of conditions such as pulmonary embolism and atrial fibrillation.,,,EM-1745,DB05792
3898,3898,3898,A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration.,OC[C@@H](OP(O)(O)=O)C(O)=O,,Compound 19,DB08321
3899,3899,3899,Not Available,COC1=C(C=C2CC[C@H]3[C@@H]4CC=C[C@@]4(C)CC[C@@H]3C2=C1)C(N)=O,,Butyrfentanyl,DB00369
3900,3900,3900,Not Available,[H][C@](N)(CCC(=O)N[C@@]([H])(CS[C@]1([H])C2=CC=CC=C2C2=CC=CC=C2[C@@]1([H])O)C(=O)NCC(O)=O)C(O)=O,,"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol",DB12865
3901,3901,3901,Not Available,C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,,2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID,DB02125
3902,3902,3902,Not Available,OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S,,Carboxyatractyloside,DB07127
3903,3903,3903,Not Available,CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,,"Thieno[2,3-B]Pyridine-2-Carboxamidine",DB04035
3904,3904,3904,A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS. [PubChem],OC(=O)C1=CC=CN=C1C(O)=O,,Carindacillin,DB07468
3905,3905,3905,Pertuzumab is an antineoplastic agent used in the treatment of HER2-positive metastatic breast cancer in combination with other antineoplastic agents.,,DIQMTQSPSSLSASVGDRVTITCKASQDVSIGVAWYQQKPGKAPKLLIYSASYRYTGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYIYPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,"1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE",DB03200
3906,3906,3906,Not Available,CN1CCN(CC1)C(O)=O,,Balsalazide,DB08505
3907,3907,3907,Pralidoxime is a cholinesterase reactivator used to treat organophosphate poisoning.,C[N+]1=C(\C=N\O)C=CC=C1,,Probucol,DB07825
3908,3908,3908,"Technetium Tc-99m nofetumomab merpentan (Tc-99m nm) consists of a Fab fragment of an IgG2b of the pancarcinoma murine antibody NR-LU-10.1 The NR-LU-10 antibody is directed against a 40 kDa glycoprotein antigen expressed in a variety of cancers and some normal tissues.Label Tc-99m nm was developed by Boehringer Ingelheim Pharma KG and FDA approved on September 14, 1992. It was after discontinued on August 13, 2013, but in the 2018 FDA submission list, it can be found as a substance type II (Drug substance) with an active status.8,9",,,Selexipag,DB04569
3909,3909,3909,"Vercirnon is a novel, orally active anti-inflammatory agent that targets a chemokine receptor protein implicated in both Crohn's disease and ulcerative colitis, the two principal forms of IBD. It is under investigation in clinical trial NCT01611805 (Japanese Phase I of GSK1605786).",CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(Cl)C=C1)C(=O)C1=CC=[N+]([O-])C=C1,,5'-O-(N-(Alanyl)sulfamoyl)adenosine,DB08010
3910,3910,3910,Propafenone is a Class 1C antiarrhythmic agent used in the management of paroxysmal atrial fibrillation/flutter and ventricular arrhythmias.,CCCNCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1,,SU-11652,DB04767
3911,3911,3911,Acarbose is an alpha-glucosidase inhibitor used in adjunctly with diet and exercise for the management of glycemic control in patients with type 2 diabetes mellitus.,[H]C(=O)[C@H](O)[C@@H](O)[C@]([H])(O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@H]2O[C@H](C)[C@@H](N[C@@]3([H])C=C(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO,,3-Oxiran-2ylalanine,DB08173
3912,3912,3912,Canfosfamide is an active agent in chemotherapy-resistant ovarian cancer.,N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(O)=O)C1=CC=CC=C1)C(O)=O,,"1-Beta-Ribofuranosyl-1,3-Diazepinone",DB15270
3913,3913,3913,Not Available,CCC1=C2C=C(O)C=CC2=NN1C1=CC=C(O)C=C1,,Dioxyselenocysteine,DB14996
3914,3914,3914,Not Available,COCCOC1=C(OC)C=C2C(=C1)N=CC1=C(N)N=C(C=C21)N1C=CN=C1,,Tavaborole,DB06991
3915,3915,3915,Not Available,C(OC1=CC=C(C=C1)C1=NNC=C1CC1=CC=NC=C1)C1=NC2=CC=CC=C2C=C1,,N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID,DB05258
3916,3916,3916,Not Available,NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O,,"(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one",DB09109
3917,3917,3917,,C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1,,ETHYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE,DB03999
3918,3918,3918,Not Available,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC=C1,,(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE,DB08760
3919,3919,3919,Vilobelimab is an antibody directed against anti-human complement factor 5a is used to treat COVID-19 in adults for emergency use.,,QVQLQQSGPQLVRPGTSVKISCKASGYSFTTFWMDWVKQRPGQGLEWIGRIDPSDSESRLDQRFKDRATLTVDKSSSTVYMQLSSPTSEDSAVYYCARGNDGYYGFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPSCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Pentamidine,DB04740
3920,3920,3920,Not Available,[H][C@@](C)(NC1=NC=CC(=N1)N(C(=O)NC1=CC=CC=C1Cl)C1=CC=C(OC)C=C1)C(C)(C)O,,Pantothenic acid,DB08612
3921,3921,3921,"Cryptenamine is a mixture of closely related hypotensive alkaloids from Veratrum album (Liliaceae). It has been used in the treatment of hypertension but has largely been replaced by drugs with fewer adverse effects. Cryptenamine has a marked and re-producible depressor effect when given intravenously to hypertensive patients, however the mechanism of action is not known.",,,Sinapoyl coenzyme A,DB02849
3922,3922,3922,Levoketoconazole is one of two enantiomeric forms of racemic ketoconazole that strongly inhibits multiple steroidogenic enzymes and is used for the symptomatic treatment of endogenous Cushing's syndrome.,CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1,,Protoporphyrin,DB06650
3923,3923,3923,Not Available,[H][C@]12O[C@]([H])(C(=C1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1)[C@]([H])(C(=O)OCC)[C@]2([H])C(=O)OCC,,"(2R)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(9E)-HEXADEC-9-ENOYLOXY]PROPYL (9E)-OCTADEC-9-ENOATE",DB13025
3924,3924,3924,Isavuconazonium is a triazole antifungal used for the treatment of invasive aspergillosis and mucormycosis.,[H]C(C)(OC(=O)N(C)C1=C(COC(=O)CNC)C=CC=N1)[N+]1=CN(C[C@](O)(C2=C(F)C=CC(F)=C2)[C@@]([H])(C)C2=NC(=CS2)C2=CC=C(C=C2)C#N)N=C1,,Pyridoxal,DB04233
3925,3925,3925,Not Available,[H][C@@](C)(N(C)C=O)C1=CC=CC=C1,,Threonine,DB03369
3926,3926,3926,Not Available,OCCCCCCBr,,Copanlisib,DB00570
3927,3927,3927,Not Available,OC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1,,Clofedanol,DB01889
3928,3928,3928,Not Available,F[Al-](F)(F)F,,Eugenol,DB06855
3929,3929,3929,Not Available,[H][C@]1(O)CC(=O)O[C@@]([H])(CC[C@@]2([H])[C@@]([H])(C)C=CC3=CCC[C@]([H])(O)[C@]23[H])C1,,"GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE",DB07302
3930,3930,3930,"Bezafibrate is a lipid-lowering fibrate used in the management of primary and secondary hyperlipidaemia, when there is a lack of clinical improvement following lifestyle modifications or correction of the underlying disorder.",CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O,,Isavuconazonium,DB07900
3931,3931,3931,Zolpidem is a sedative hypnotic used for the short-term treatment of insomnia to improve sleep latency.,CN(C)C(=O)CC1=C(N=C2C=CC(C)=CN12)C1=CC=C(C)C=C1,,2-Ethoxyethanol,DB00870
3932,3932,3932,Perhexiline is a coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,,difluoro(5-{2-[(5-octyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}pentanoato)boron,DB01931
3933,3933,3933,"An ergot derivative that acts as an agonist at dopamine D2 receptors (dopamine agonists). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (serotonin agonists).",[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@@H](CN2C)NC(=O)N(CC)CC,,Rimtuzalcap,DB03870
3934,3934,3934,Not Available,CCCS(=O)(=O)N1N=CC2=C(C=C(C)S2)B1O,,"3,4-Dihydroxycinnamic Acid",DB09013
3935,3935,3935,Pretomanid is part of a three-drug regimen used for the treatment of extensively drug-resistant and multidrug-resistant pulmonary tuberculosis.,[O-][N+](=O)C1=CN2C[C@@H](COC2=N1)OCC1=CC=C(OC(F)(F)F)C=C1,,Citicoline,DB03072
3936,3936,3936,Not Available,,,3-phenyl-5-(1H-pyrazol-3-yl)isoxazole,DB05846
3937,3937,3937,Not Available,[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])C1=C(OC)C=CC=C1OC)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O,,Cadaverine,DB03145
3938,3938,3938,An alpha-glucosidase inhibitor with antiviral action. Derivatives of deoxynojirimycin may have anti-HIV activity. [PubChem],[H][C@@]1(O)CN[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,,Glasdegib,DB02103
3939,3939,3939,Not Available,OC(=O)CC1=CC(=O)NC(=O)N1,,Desoximetasone,DB04555
3940,3940,3940,Not Available,OC1=CC=C(CCC2=CC(O)=CC(O)=C2)C=C1,,"2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL",DB00204
3941,3941,3941,Not Available,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C1=O)C(=O)N1CCOCC1,,XL019,DB07657
3942,3942,3942,Not Available,[H]N([H])C1=NC(=CS1)C(=N\OC(C)(C)C(O)=O)\C(=O)N([H])[C@H](C=O)[C@@]1([H])SCC(=C)C(=N1)C(O)=O,,"(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol",DB05489
3943,3943,3943,"Boehringer Ingelheim Pharmaceuticals’ olcegepant (BIBN 4096) is a selective Calcitonin Gene-Related Peptide (CGRP) antagonist, a new class of drugs in development for the treatment of acute migraine attacks. Olcegepant is undergoing phase II trials in Europe and the US, with preliminary results suggesting that CGRP antagonists may represent a potential new approach to the treatment of migraine.",NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N1CCC(CC1)N1CC2=C(NC1=O)C=CC=C2)C(=O)N1CCN(CC1)C1=CC=NC=C1,,Glucagon,DB00393
3944,3944,3944,"Rituximab is a monoclonal anti-CD20 antibody used to treat non-Hodgkin's lymphoma, chronic lymphocytic leukemia, Wegener's granulomatosis, pemphigus vulgaris, and rheumatoid arthritis.",,QVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGRGLEWIGAIYPGNGDTSYNQKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSTYYGGDWYFNVWGAGTTVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKAEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Antihemophilic factor human,DB00150
3945,3945,3945,Not Available,[H][C@@]1(O)C[C@@](O)(C\C(=N/O)[C@@]1([H])O)C(O)=O,,Cobimetinib,DB02506
3946,3946,3946,Not Available,S=C1NC2=C(S1)C=CC=C2,,Dicyclomine,DB05218
3947,3947,3947,Amphetamine is a CNS stimulant and sympathomimetic agent indicated for the treatment of Attention Deficit Hyperactivity Disorder (ADHD).,CC(N)CC1=CC=CC=C1,,Isosorbide,DB05713
3948,3948,3948,"Cyclosporine is a steroid-sparing immunosuppressant used in organ and bone marrow transplants as well as inflammatory conditions such as ulcerative colitis, rheumatoid arthritis, and atopic dermatitis.",CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,,NADH,DB07781
3949,3949,3949,Not Available,C1=CN(C=N1)[Os++]123[N]4=CC=CC=C4C4=[N]1C=CC=C4.C1=CC(C4=CC=CC=[N]24)=[N]3C=C1,,Nicotinamide Mononucleotide,DB01337
3950,3950,3950,Not Available,[H][C@@]12CO[C@](C)(O[C@]1([H])[C@H](O)[C@@H](O)[C@H](OC)O2)C(O)=O,,Methadone,DB00371
3951,3951,3951,Not Available,NC1=NC2=C(C(N)=N1)C(SC1=CC=C(C=C1)N1CCOCC1)=CC=C2,,Doxapram,DB00353
3952,3952,3952,Rivaroxaban is a factor Xa inhibitor used to treat deep vein thrombosis (DVT) and pulmonary embolism (PE). May also be used as thrombosis prophylaxis in specific situations.,[H][C@]1(CNC(=O)C2=CC=C(Cl)S2)CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O,,Remdesivir,DB04287
3953,3953,3953,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N2C=CC(=O)N([H])C2=O)[C@@H](O)[C@H]1O,,PP-121,DB00029
3954,3954,3954,Hexachlorophene is a chlorinated bisphenol antiseptic used as a surgical scrub and skin cleanser.,OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl,,MMDA,DB06472
3955,3955,3955,Not Available,N[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)C(=O)N1CCC[C@H]1C#N,,Hydrocortisone aceponate,DB08717
3956,3956,3956,Denosumab is a RANK ligand (RANKL) inhibitor used for the management of osteoporosis in patients at high risk for bone fractures.,,EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSGITGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDPGTTVIMSWFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID",DB05883
3957,3957,3957,Vernakalant is an antiarrhythmic medication used to treat patients with atrial fibrillation.,COC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1,,Dexfosfoserine,DB09128
3958,3958,3958,Not Available,IC1=CNN=C1,,Nitrous acid,DB14070
3959,3959,3959,Not Available,[H][C@]1(O)[C@]([H])(O)[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O)[C@]1([H])O,,"2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM",DB07153
3960,3960,3960,Not Available,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1C(=O)OCC1=CC=CC=C1)C=O,,"7,8-Diamino-Nonanoic Acid",DB01007
3961,3961,3961,Not Available,CC1=CC(OCCNC2=CC=[NH+]C=C2)=CC(NS(=O)(=O)C2=CC=CC=C2)=C1,,Tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate,DB03667
3962,3962,3962,Omadacycline is a tetracycline antibiotic used to treat community acquired bacterial pneumonia.,[H][C@@]12CC3=C(C=C(CNCC(C)(C)C)C(O)=C3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2)N(C)C,,D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide,DB00025
3963,3963,3963,Mecamylamine is a nicotine antagonist used to treat moderate to severe essential hypertension and uncomplicated malignant hypertension.,CNC1(C)C2CCC(C2)C1(C)C,,Cytidine,DB07427
3964,3964,3964,"Tryptophan is one of the 20 standard amino acids, as well as an essential amino acid in the human diet. It is encoded in the standard genetic code as the codon UGG. The D-stereoisomer is occasionally found in naturally produced peptides (for example, the marine venom peptide contryphan). The distinguishing structural characteristic of tryptophan is that it contains an indole functional group. It is an essential amino acid as defined by its growth effects on rats.",N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O,,"3,4-Dichloroisocoumarin",DB06971
3965,3965,3965,Not Available,C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@@H]1NC(C)=O)C(O)=O,,Thrombin alfa,DB03966
3966,3966,3966,Pargyline is a monoamine oxidase inhibitor with antihypertensive properties.,CN(CC#C)CC1=CC=CC=C1,,Amivantamab,DB00227
3967,3967,3967,"Spironolactone is an aldosterone receptor antagonist used to treat edema, hypertension, heart failure, and aldosteronism.",[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@]([H])(CC2=CC(=O)CC[C@]12C)SC(C)=O,,CRA_10972,DB04180
3968,3968,3968,Not Available,NC1=NC2=C(N=CN2)C(OC[C@H]2CCC(=O)N2)=N1,,"1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine",DB06729
3969,3969,3969,Not Available,OP(=O)(OC1=CC=C(C=C1)[N+]([O-])=O)OC1=CC=C(C=C1)[N+]([O-])=O,,Olutasidenib,DB05848
3970,3970,3970,Not Available,N[C@@H]([C@H](O)C(N)=O)C(O)=O,,Chromium gluconate,DB08691
3971,3971,3971,Glutathione disulfide is an ingredient of ophthalmic irrigation solutions used during ophthalmological procedures.,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,,Coccidioides immitis spherule,DB06423
3972,3972,3972,Not Available,OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1,,Angiotensin II,DB08332
3973,3973,3973,"Desogestrel is a synthetic progestin used in contraception, often in combination with ethinyl estradiol.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],,Hexachlorophene,DB06875
3974,3974,3974,"Clindamycin is a lincosamide antibiotic used to treat serious infections caused by susceptible anaerobic, streptococcal, staphylococcal, and pneumococcal bacteria.",[H][C@@](NC(=O)[C@@H]1C[C@@H](CCC)CN1C)([C@H](C)Cl)[C@@]1([H])O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O,,"3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole",DB07589
3975,3975,3975,Not Available,[H][C@@](C)(CC)NC1=NC=C(S1)C(=O)NC1=C(C)C=CC(=C1)C(=O)NC,,Acetohydroxamic acid,DB04918
3976,3976,3976,Not Available,[H][C@]1(C[C@]1([H])C1=C(OC)C=CC(C(C)=O)=C1O)NC(=S)NC1=NC=C(C=C1)C#N,,"4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE",DB08170
3977,3977,3977,"Naproxen is an NSAID used to treat rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, polyarticular juvenile idiopathic arthritis, tendinitis, bursitis, acute gout, primary dysmenorrhea, and mild to moderate pain.",COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O,,"Alpha-D-Glucose 1,6-Bisphosphate",DB03284
3978,3978,3978,Brolucizumab is an anti VEGF-A monoclonal antibody indicated to treat neovascular age related macular degeneration.,,,Tetracosactide,DB05214
3979,3979,3979,Lupeol has been investigated for the treatment of Acne.,[H][C@]12[C@@H](CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C,,(+)-Rutamarin alcohol,DB04055
3980,3980,3980,Eslicarbazepine is an antiepileptic indicated as a monotherapy or adjunct therapy in the treatment of epilepsy.,NC(=O)N1C2=CC=CC=C2[C@@H](O)CC2=C1C=CC=C2,,Chlormerodrin,DB04205
3981,3981,3981,Not Available,COC1=CC=C2N(C(=O)C3=CC=C(I)C=C3)C(C)=C(CC(O)=O)C2=C1,,p1-(5'-adenosyl)p5-(5'-thymidyl)pentaphosphate,DB03255
3982,3982,3982,Not Available,[Zn++].NC(=[NH2+])C1=CC2=C([N-]C(CC3=NC4=C([N-]3)C=CC(=C4)C(N)=[NH2+])=N2)C=C1,,Thiamphenicol,DB03223
3983,3983,3983,Not Available,[H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1,,Opaganib,DB05297
3984,3984,3984,Nonivamide is found in herbs and spices. It is an alkaloid from the Capsicum species. The structures of Capsaicin and nonivamide differ only slightly with respect to the fatty acid moiety of the side chain (8-methyl nonenoic acid versus nonanoic acid) 15.,CCCCCCCCC(=O)NCC1=CC(OC)=C(O)C=C1,,Sri-9662,DB04964
3985,3985,3985,Not Available,CCC\C(N)=N/CCC[C@H]([NH3+])C(O)=O,,4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine,DB08310
3986,3986,3986,"SD118 was previously under investigation in Japan for a different indication and now, following re-profiling and evaluation in experimental animal models, has demonstrated its potential as a new oral therapy for neuropathic pain.",,,Dihydromorphine,DB06586
3987,3987,3987,Not Available,[H]N1C=C[C@H](O)N([H])C1=O,,Isoamyl alcohol,DB08791
3988,3988,3988,"Sonidegib is an antineoplastic agent used for the treatment of locally advanced recurrent basal cell carcinoma (BCC) following surgery and radiation therapy, or in cases where surgery or radiation therapy are not appropriate.",[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1,,"1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE",DB02376
3989,3989,3989,Gimeracil is a DPD inhibitor used as an adjunct to antineoplastic therapy to increase the systemic concentrations and therapeutic effectiveness of other antineoplastic agents.,OC1=CC(=O)NC=C1Cl,,3-Hydroxypyruvic Acid,DB07147
3990,3990,3990,"Sulfisoxazole acetyl is an ester of sulfisoxazole, a broad-spectrum sulfanilamide and a synthetic analog of para-aminobenzoic acid (PABA) with antibacterial activity. Sulfisoxazole acetyl competes with PABA for the bacterial enzyme, dihydropteroate synthase, preventing the incorporation of PABA into dihydrofolic acid, which is the precursor of folic acid. This process causes an inhibition of bacterial folic acid synthesis and de novo synthesis of purines and pyrimidines, resulting in cell growth arrest and cell death 2.",CC(=O)N(C1=C(C)C(C)=NO1)S(=O)(=O)C1=CC=C(N)C=C1,,6-Hydroxymethylpterin,DB07537
3991,3991,3991,"C31G is a potent broad spectrum antimicrobial agent, effective against gram positive and gram negative bacteria, yeast and fungi.C31G, vaginal gel is developed by Biosyn Inc. and has commenced enrollment in a phase III pivotal clinical trial for the reduction of sexual transmission of human immunodeficiency virus (HIV).",CCCCCCCCCCCC[N+](C)(C)[O-].CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,,4-{2-[4-(2-Aminoethyl)Piperazin-1-Yl]Pyridin-4-Yl}-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine,DB07585
3992,3992,3992,Not Available,[H][C@]1(C[C@@]1([H])C1=CC2=CC=C(C=C2C=C1)C(N)=N)C1=CC=CC=C1,,Myristoyl-Coa,DB10772
3993,3993,3993,An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. [PubChem],N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(O)=O,,CP-320626,DB02786
3994,3994,3994,Not Available,CC1=NOC(CCCCCOC2=CC=C(C=C2Cl)C2=NCCO2)=C1,,"5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE",DB03329
3995,3995,3995,Not Available,[H][C@](CC)(C=O)[C@@]1([H])NC(C(O)=O)=C2[C@@]1([H])CCC[C@@]2([H])OCCCC,,Tubocurarine,DB07570
3996,3996,3996,Not Available,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1,,Trametinib,DB15490
3997,3997,3997,"Triprolidine is a sedating antihistamine combined with pseudoephedrine and guaifenesin in various types of cold and allergy medications to relieve allergy symptoms, hay fever and common cold symptoms, and to aid in sleep.",CC1=CC=C(C=C1)C(=C/CN1CCCC1)\C1=CC=CC=N1,,N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide,DB07976
3998,3998,3998,Not Available,CCN(CC)C(=O)C1=C(NC(=O)C2=CC=CS2)SC2=C1CCCC2,,Methacholine,DB00511
3999,3999,3999,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CC[C@@H](F)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]",DB14904
4000,4000,4000,Not Available,CCOC1=C(NC(=O)C2=CC(C)=C(OCCN)C(C)=C2)C=C(C=C1Cl)N1CCCCC1,,7-Alpha-D-Ribofuranosyl-Purine-5'-Phosphate,DB08154
4001,4001,4001,Not Available,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2,,"N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine",DB07638
4002,4002,4002,Not Available,N\C(NO)=N/C1=CC=C(Cl)C=C1,,4-Iodobenzo[B]Thiophene-2-Carboxamidine,DB01106
4003,4003,4003,Rasagiline is an irreversible inhibitor of monoamine oxidase used for the symptomatic management of idiopathic Parkinson's disease as initial monotherapy and as adjunct therapy to levodopa.,C#CCN[C@@H]1CCC2=CC=CC=C12,,Paclitaxel docosahexaenoic acid,DB00268
4004,4004,4004,Clobazam is a benzodiazepine used as adjunct treatment in seizures associated with Lennox-Gastaut syndrome.,CN1C2=C(C=C(Cl)C=C2)N(C2=CC=CC=C2)C(=O)CC1=O,,indane-5-sulfonamide,DB00497
4005,4005,4005,Not Available,[H]\C(CCC[C@@]([H])(C)C1=CC(=O)C([H])(C(=O)C(\C)=C(/[H])\C(\[H])=C(/C)CCC)C(=O)O1)=N/C(=O)OC,,JNJ-17216498,DB03162
4006,4006,4006,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE",DB03729
4007,4007,4007,Not Available,[H][C@@]1(CCCN(CC2=CC3=C(OCO3)C=C2)C1)OC1=CC=C(C=C1)N1C=CN=C1,,N2-({[(4-Bromophenyl)Methyl]Oxy}Carbonyl)-N1-[(1s)-1-Formylpentyl]-L-Leucinamide,DB01171
4008,4008,4008,Not Available,[H]N([H])C(=N[C@H](C1CCCCC1)C(=O)N([H])CC(=O)N1CCC(CC1)C1=CC(=NN1[H])C1=C(Cl)C(Cl)=CC=C1)N([H])[H],,"{4-Amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone",DB03250
4009,4009,4009,Ginseng is a herbal supplement used in many health products.,,,"3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE",DB08366
4010,4010,4010,Not Available,O=C1NC=CC2=C(C=CC=C12)S(=O)(=O)N1CCCNCC1,,"[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE",DB03152
4011,4011,4011,Not Available,CCC1=CC=C(O1)\C=C1/SC(N[C@H](C2=NN=NN2)C2=CC=C(F)C=C2)=NC1=O,,Cetirizine,DB05004
4012,4012,4012,Luliconazole is a topical antifungal agent used to treat fungal infections.,ClC1=CC(Cl)=C(C=C1)[C@@H]1CS\C(S1)=C(\C#N)N1C=CN=C1,,"5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole",DB00905
4013,4013,4013,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(C)=O)C(O)(O)C(F)(F)F,,Eplivanserin,DB03088
4014,4014,4014,Not Available,[H][C@@]12C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@]1(CO)O2,,Cositecan,DB07225
4015,4015,4015,Not Available,CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1,,2-deoxy-2-fluoro-β-D-galactose,DB11731
4016,4016,4016,Not Available,O=C1CCCCC2=C3N=C(NC4=CC(N1)=CC=C4)N=C(NC1CC1)N3N=C2,,"(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",DB08903
4017,4017,4017,"Bradanicline, a novel small molecule that modulates the activity of the neuronal nicotinic receptor (NNR) subtype known as alpha7(α7). Bradanicline belongs to a new class of drugs for the treatment of central nervous system diseases and disorders.",[H][C@@]1(CC2=CC=CN=C2)N2CCC(CC2)[C@@]1([H])NC(=O)C1=CC2=C(O1)C=CC=C2,,1-Dodecanol,DB01181
4018,4018,4018,Not Available,[H]O[Sb](O[H])O[H],,"(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine",DB08387
4019,4019,4019,Amiloride is a pyrizine compound used to treat hypertension and congestive heart failure.,NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N,,(4e)-4-Aminohex-4-Enoic Acid,DB06916
4020,4020,4020,"(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.",[H][C@]1(O)C=CC2=C(C=CC=C2)[C@@]1([H])O,,Latrunculin A,DB01246
4021,4021,4021,"Dacetuzumab has been used in trials studying the treatment of Multiple Myeloma, Non-Hodgkin Lymphoma, Leukemia, Lymphocytic, Chronic, and Lymphoma, Large B-Cell, Diffuse. It is a humanized anti-CD40 antibody and induces cytotoxicity in human multiple myeloma cells.",,,Metronidazole,DB01950
4022,4022,4022,KW-6356 is a selective antagonist of adenosine A2A receptors developed by Kyowa Kirin.1,,,Pimavanserin,DB08596
4023,4023,4023,Not Available,CC1=CC=CC(CC=C)=C1O,,Bromo-WR99210,DB09333
4024,4024,4024,Not Available,[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O,,4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID,DB03410
4025,4025,4025,Not Available,CS(=O)(=O)C1=CC=C(NC2=CC(Cl)=NC3=CC=NN23)C=C1,,Citraconic acid,DB08443
4026,4026,4026,Dacomitinib is a medication used to treat non small cell lung cancer with EGFR exon 19 deletion of exon 21 L858R substitution.,COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1,,"2-Amino-N,3,3-Trimethylbutanamide",DB02051
4027,4027,4027,"Benzamidine is a drug used to treat painful and inflammatory conditions of the oral cavity, such as infections and gingivitis.",NC(=[NH2+])C1=CC=CC=C1,,CCX915,DB04318
4028,4028,4028,Tetracycline is an antibiotic used to treat a wide variety of susceptible infections.,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O,,Triazolopyridine,DB05867
4029,4029,4029,Mogamulizumab is a monoclonal antibody used to treat relapsed or refractory mycosis fungoides or Sézary syndrome after attempting one other therapy.,,EVQLVESGGDLVQPGRSLRLSCAASGFIFSNYGMSWVRQAPGKGLEWVATISSASTYSYYPDSVKGRFTISRDNAKNSLYLQMNSLRVEDTALYYCGRHSDGNFAFGYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,ENMD-1198,DB08731
4030,4030,4030,Not Available,[H][C@]1(C)O[C@]([H])(C[C@]1([H])OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Profenamine,DB07880
4031,4031,4031,Ethambutol is an antituberculosis agent used in the prophylaxis and treatment of tuberculosis (TB).,CC[C@@H](CO)NCCN[C@@H](CC)CO,,"3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid",DB08547
4032,4032,4032,Not Available,[H][C@]1(CCCN1C(=O)CCN1C(=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C(=O)N1CCCC1,,E-2012,DB02399
4033,4033,4033,Mupirocin is an antibacterial ointment used to treat impetigo and secondary skin infections caused by Staphylococcus aureus and Streptococcus pyogenes.,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O,,3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol,DB03642
4034,4034,4034,Not Available,NC(=O)C1=C(NC(=O)C2CC2)SC2=C1CCCC2,,N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine,DB06992
4035,4035,4035,Ancrod is an anticoagulant purified from the venom of the Malayan pit viper that functions by inactivating circulating plasma fibrinogen. Not currently approved for use or marketed in any country.,,,3-Deazaadenosine,DB04583
4036,4036,4036,"Porphobilinogen is a pyrrole involved in porphyrin metabolism. It is generated by the enzyme ALA dehydratase, and converted into hydroxymethyl bilane by the enzyme porphobilinogen deaminase.",NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1,,Thioridazine,DB05119
4037,4037,4037,Imipenem is a carbapenem antibiotic normally administered with cilastatin to treat a variety of infections.,[H][C@]12CC(SCC\N=C\N)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,,SGS-742,DB12228
4038,4038,4038,Not Available,CC(=O)NC1=NC(=C(N1)C1=CC=C2N=CC=NC2=C1)C1=NC(C)=C(F)C=C1,,4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine,DB02421
4039,4039,4039,Not Available,OC(=O)CC1=CC(O)=CC=C1O,,alpha-Methyl-2-hydroxy-4-diethylaminocinnamic acid,DB01956
4040,4040,4040,Not Available,CCNC1=NC(Cl)=NC(NC(C)(CC)C#N)=N1,,Nd1-Phosphonohistidine,DB08184
4041,4041,4041,"Pentaerythritol tetranitrate is the nitrate ester of pentaerythritol that possesses explosive properties. When mixed with a plasticizer, this chemical forms a plastic explosive. It is recognized by the FDA to be a coronary vasodilator in the treatment of heart conditions such as angina 9.",[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,,5-Bromo-2'-deoxyuridine 5'-(dihydrogen phosphate),DB11714
4042,4042,4042,An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.,CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2,,Lestaurtinib,DB06195
4043,4043,4043,Not Available,NC(=[NH2+])N1C=NC=N1,,Lumasiran,DB07634
4044,4044,4044,Bexagliflozin is a sodium-glucose co-transporter 2 inhibitor used to improve glycemic control in patients with type 2 diabetes mellitus.,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(OCCOC3CC3)C=C2)=C1,,Tecadenoson,DB03863
4045,4045,4045,Enfortumab vedotin is an antibody-drug conjugate comprised of a fully human monoclonal antibody and microtubule-disrupting chemotherapeutic agent used in the treatment of advanced or metastatic urothelial cancer.,,,Galantamine,DB04956
4046,4046,4046,Not Available,OC(=O)CCC(=O)CCC(=O)CCC(O)=O,,"2-HYDROXYMETHYL-6-OCTYLSULFANYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL",DB07814
4047,4047,4047,Dasatinib is a tyrosine kinase inhibitor used for the treatment of Philadelphia chromosome-positive acute lymphoblastic leukemia or chronic myeloid leukemia.,CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1,,SOT-107,DB00182
4048,4048,4048,Sunitinib is a receptor tyrosine kinase inhibitor and chemotherapeutic agent used for the treatment of renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor (GIST).,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C,,"(R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER",DB03213
4049,4049,4049,Emtricitabine is a nucleoside reverse transcriptase inhibitor used for the treatment and prophylaxis of HIV.,[H][C@@]1(CO)O[C@@]([H])(CS1)N1C=C(F)C(=N)N=C1O,,Irbesartan,DB01228
4050,4050,4050,Not Available,O[C@@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O,,3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID,DB07712
4051,4051,4051,Not Available,[H]N1[C@H](O)C=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C1=O,,Alpha-D-Glucose-1-Phosphate-6-Vanadate,DB01281
4052,4052,4052,Not Available,[H][C@]1(COS(=O)(=O)NCC)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Hexamethylene diamine,DB04917
4053,4053,4053,Not Available,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,,N-(Sulfanylacetyl)Tyrosylprolylmethioninamide,DB16418
4054,4054,4054,"Cetilistat is a novel inhibitor of pancreatic lipase being developed by Alizyme for the treatment of obesity and associated co-morbidities, including type 2 diabetes.",CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C)C=C2)C(=O)O1,,Tezacitabine,DB00636
4055,4055,4055,Not Available,OC1=CC=C(C=C1)\N=C1/C(=O)NC2=CC=CC=C12,,D-Xylulose,DB06083
4056,4056,4056,Coagulation Factor IX Human is a coagulation factor used to treat hemophilia B or factor IX hemophilia.,,YNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAEAVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT,(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE,DB14058
4057,4057,4057,Not Available,[H][C@]1(CO)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OC(=O)CCCCCCC)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,,1-Deaza-Adenosine,DB02663
4058,4058,4058,Not Available,CN1C=C(C2=C1C=CC=C2)C1=C(C(=O)NC1=O)C1=CN(CCCN)C2=C1C=CC=C2,,(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One,DB06538
4059,4059,4059,Not Available,OC(=O)C1=CC=C(Cl)C=C1,,Sucrose,DB03977
4060,4060,4060,Dextroamphetamine is a sympathomimetic agent used in the treatment of attention deficit hyperactivity disorder (ADHD) and narcolepsy.,C[C@H](N)CC1=CC=CC=C1,,Ixabepilone,DB07382
4061,4061,4061,Not Available,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=C(F)C=C(Br)C=C1,,Tramadol,DB04849
4062,4062,4062,Not Available,CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCC[C@H](N)C(O)=O,,Denibulin,DB05078
4063,4063,4063,Not Available,NC(=O)C(CS)NC(=O)CCCCCNC(=O)[C@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)NC(=O)C(CC(O)=O)NC(=O)CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O,,Felypressin,DB00092
4064,4064,4064,Not Available,N[C@H](CO)CCCCNC(O)=O,,Ethanolamine,DB08338
4065,4065,4065,"Chlorothiazide is a thiazide diuretic used to treat hypertension and edema in congestive heart failure, hepatic cirrhosis, and corticosteroid and estrogen therapy.",NS(=O)(=O)C1=C(Cl)C=C2NC=NS(=O)(=O)C2=C1,,"(8alpha,10alpha,13alpha,17beta)-17-[(4-hydroxyphenyl)carbonyl]androsta-3,5-diene-3-carboxylic acid",DB04295
4066,4066,4066,"Dibotermin alfa is a recombinant human bone morphogenetic protein-2 (rhBMP-2) derived from a recombinant Chinese Hamster Ovary (CHO) cell line Label. It is implanted in patients undergoing bone surgeries or those with fractures. BMPs are subfamily of the transforming growth factor-β (TGF-β) superfamily that have different actions on the bone matrix 2. BMP-2 is a potent osteoinductive protein that plays a critical role in the differentiation of osteoprogenitor cells into osteoblasts, thus promoting bone and cartilage formation 3. Through enhancing osteogenesis at the site of implantation, dibotermin alfa accelerates the healing of open tibial shaft fractures and reduces the need for secondary intervention 1. In a prospective clinical study of patients with an open tibial fracture, administration of dibotermin alfa resulted in faster fracture- or wound-healing, significantly fewer secondary invasive interventions, and reduced infection rate post-operation 1. Dibotermin alfa was approved by the EMA in 2002 as Inductos for implantation matrix. In 2004, it was approved by the FDA and is marketed as Infuse. In Infuse, rhBMP is a disulfide-linked dimeric protein molecule with two major subunit species of 114 and 131 amino acids. Each subunit is glycosylated with high-mannose-type glycans Label.",,,Amikacin,DB06634
4067,4067,4067,Not Available,[H][C@](C)(CN(C)C)OC1=CN=CC(NC(=O)NC2=C(OC)C=CC(Cl)=C2)=N1,,"4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Alpha-D-Lyxo-Hexopyranosyl-(1->4)-Alpha-D-Threo-Hexopyranosyl-(1->6)-Alpha-L-Threo-Hexopyranose",DB02759
4068,4068,4068,Not Available,CN1C=[N+]([C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N)N=CN=C34)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,,O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE,DB13953
4069,4069,4069,Clocortolone is a corticosteroid used to treat inflammatory and pruritic dermatoses of the scalp.,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,Pegvisomant,DB06987
4070,4070,4070,"Verapamil is a non-dihydropyridine calcium channel blocker used in the treatment of angina, arrhythmia, and hypertension.",COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1,,Bempedoic acid,DB02200
4071,4071,4071,Galiximab is a chimeric monoclonal antibody which is used as an immunosuppressive drug.,,,Deacetoxycephalosporin C,DB03231
4072,4072,4072,Difelikefalin is a kappa opioid receptor agonist used in the treatment of pruritus associated with chronic kidney disease in patients undergoing hemodialysis.,CC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O,,Phthalic Acid,DB02180
4073,4073,4073,Valsartan is an angiotensin-receptor blocker used to manage hypertension alone or in combination with other antihypertensive agents and to manage heart failure in patients who are intolerant to ACE inhibitors.,CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O,,1-Hydroxyamine-2-Isobutylmalonic Acid,DB08722
4074,4074,4074,Not Available,OC(=O)C1=CC=C(O1)C1=C(OC(F)(F)F)C=CC=C1,,Elvitegravir,DB14064
4075,4075,4075,"Hyperforin is a phytochemical generated by the plants of the Hypericum family. One of the most important members of this family, due to its medical properties, is Hypericum perforatum, also known as St John's wort.",CC(C)C(=O)[C@@]12C(O)=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O,,N-(Phosphonoacetyl)-L-Ornithine,DB03802
4076,4076,4076,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=CC=CNC2=O)[C@]([H])(O)[C@]1([H])O,,"5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE",DB06039
4077,4077,4077,Not Available,FC1=CC=C(C=C1)C1=NN=C(N1)C1=CC=CC=C1,,Clomifene,DB07187
4078,4078,4078,Lifitegrast is a medication used to treat dry eye disease.,CS(=O)(=O)C1=CC(C[C@H](NC(=O)C2=C(Cl)C3=C(CN(CC3)C(=O)C3=CC=C4C=COC4=C3)C=C2Cl)C(O)=O)=CC=C1,,Rosoxacin,DB07062
4079,4079,4079,"Anakinra is a recombinant form of human interleukin-1 receptor antagonist used in the treatment of rheumatoid arthritis, neonatal-onset multisystem inflammatory disease and deficiency of interleukin-1 receptor antagonist (DIRA).",,MRPSGRKSSKMQAFRIWDVNQKTFYLRNNQLVAGYLQGPNVNLEEKIDVVPIEPHALFLGIHGGKMCLSCVKSGDETRLQLEAVNITDLSENRKQDKRFAFIRSDSGPTTSFESAACPGWFLCTAMEADQPVSLTNMPDEGVMVTKFYFQEDE,"N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide",DB07676
4080,4080,4080,Piperazine is a medication used to treat roundworm and pinworm.,C1CNCCN1,,Calystegine B2,DB07122
4081,4081,4081,Diethylpropion is an appetite suppressant used for the short term treatment of exogenous obesity in addition to calorie restriction.,CCN(CC)C(C)C(=O)C1=CC=CC=C1,,CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE,DB08639
4082,4082,4082,Von Willebrand factor human is a blood clotting factor used to manage bleeding episodes in von Willebrand disease and hemophilia A.,,MIPARFAGVLLALALILPGTLCAEGTRGRSSTARCSLFGSDFVNTFDGSMYSFAGYCSYLLAGGCQKRSFSIIGDFQNGKRVSLSVYLGEFFDIHLFVNGTVTQGDQRVSMPYASKGLYLETEAGYYKLSGEAYGFVARIDGSGNFQVLLSDRYFNKTCGLCGNFNIFAEDDFMTQEGTLTSDPYDFANSWALSSGEQWCERASPPSSSCNISSGEMQKGLWEQCQLLKSTSVFARCHPLVDPEPFVALCEKTLCECAGGLECACPALLEYARTCAQEGMVLYGWTDHSACSPVCPAGMEYRQCVSPCARTCQSLHINEMCQERCVDGCSCPEGQLLDEGLCVESTECPCVHSGKRYPPGTSLSRDCNTCICRNSQWICSNEECPGECLVTGQSHFKSFDNRYFTFSGICQYLLARDCQDHSFSIVIETVQCADDRDAVCTRSVTVRLPGLHNSLVKLKHGAGVAMDGQDVQLPLLKGDLRIQHTVTASVRLSYGEDLQMDWDGRGRLLVKLSPVYAGKTCGLCGNYNGNQGDDFLTPSGLAEPRVEDFGNAWKLHGDCQDLQKQHSDPCALNPRMTRFSEEACAVLTSPTFEACHRAVSPLPYLRNCRYDVCSCSDGRECLCGALASYAAACAGRGVRVAWREPGRCELNCPKGQVYLQCGTPCNLTCRSLSYPDEECNEACLEGCFCPPGLYMDERGDCVPKAQCPCYYDGEIFQPEDIFSDHHTMCYCEDGFMHCTMSGVPGSLLPDAVLSSPLSHRSKRSLSCRPPMVKLVCPADNLRAEGLECTKTCQNYDLECMSMGCVSGCLCPPGMVRHENRCVALERCPCFHQGKEYAPGETVKIGCNTCVCQDRKWNCTDHVCDATCSTIGMAHYLTFDGLKYLFPGECQYVLVQDYCGSNPGTFRILVGNKGCSHPSVKCKKRVTILVEGGEIELFDGEVNVKRPMKDETHFEVVESGRYIILLLGKALSVVWDRHLSISVVLKQTYQEKVCGLCGNFDGIQNNDLTSSNLQVEEDPVDFGNSWKVSSQCADTRKVPLDSSPATCHNNIMKQTMVDSSCRILTSDVFQDCNKLVDPEPYLDVCIYDTCSCESIGDCACFCDTIAAYAHVCAQHGKVVTWRTATLCPQSCEERNLRENGYECEWRYNSCAPACQVTCQHPEPLACPVQCVEGCHAHCPPGKILDELLQTCVDPEDCPVCEVAGRRFASGKKVTLNPSDPEHCQICHCDVVNLTCEACQEPGGLVVPPTDAPVSPTTLYVEDISEPPLHDFYCSRLLDLVFLLDGSSRLSEAEFEVLKAFVVDMMERLRISQKWVRVAVVEYHDGSHAYIGLKDRKRPSELRRIASQVKYAGSQVASTSEVLKYTLFQIFSKIDRPEASRITLLLMASQEPQRMSRNFVRYVQGLKKKKVIVIPVGIGPHANLKQIRLIEKQAPENKAFVLSSVDELEQQRDEIVSYLCDLAPEAPPPTLPPDMAQVTVGPGLLGVSTLGPKRNSMVLDVAFVLEGSDKIGEADFNRSKEFMEEVIQRMDVGQDSIHVTVLQYSYMVTVEYPFSEAQSKGDILQRVREIRYQGGNRTNTGLALRYLSDHSFLVSQGDREQAPNLVYMVTGNPASDEIKRLPGDIQVVPIGVGPNANVQELERIGWPNAPILIQDFETLPREAPDLVLQRCCSGEGLQIPTLSPAPDCSQPLDVILLLDGSSSFPASYFDEMKSFAKAFISKANIGPRLTQVSVLQYGSITTIDVPWNVVPEKAHLLSLVDVMQREGGPSQIGDALGFAVRYLTSEMHGARPGASKAVVILVTDVSVDSVDAAADAARSNRVTVFPIGIGDRYDAAQLRILAGPAGDSNVVKLQRIEDLPTMVTLGNSFLHKLCSGFVRICMDEDGNEKRPGDVWTLPDQCHTVTCQPDGQTLLKSHRVNCDRGLRPSCPNSQSPVKVEETCGCRWTCPCVCTGSSTRHIVTFDGQNFKLTGSCSYVLFQNKEQDLEVILHNGACSPGARQGCMKSIEVKHSALSVELHSDMEVTVNGRLVSVPYVGGNMEVNVYGAIMHEVRFNHLGHIFTFTPQNNEFQLQLSPKTFASKTYGLCGICDENGANDFMLRDGTVTTDWKTLVQEWTVQRPGQTCQPILEEQCLVPDSSHCQVLLLPLFAECHKVLAPATFYAICQQDSCHQEQVCEVIASYAHLCRTNGVCVDWRTPDFCAMSCPPSLVYNHCEHGCPRHCDGNVSSCGDHPSEGCFCPPDKVMLEGSCVPEEACTQCIGEDGVQHQFLEAWVPDHQPCQICTCLSGRKVNCTTQPCPTAKAPTCGLCEVARLRQNADQCCPEYECVCDPVSCDLPPVPHCERGLQPTLTNPGECRPNFTCACRKEECKRVSPPSCPPHRLPTLRKTQCCDEYECACNCVNSTVSCPLGYLASTATNDCGCTTTTCLPDKVCVHRSTIYPVGQFWEEGCDVCTCTDMEDAVMGLRVAQCSQKPCEDSCRSGFTYVLHEGECCGRCLPSACEVVTGSPRGDSQSSWKSVGSQWASPENPCLINECVRVKEEVFIQQRNVSCPQLEVPVCPSGFQLSCKTSACCPSCRCERMEACMLNGTVIGPGKTVMIDVCTTCRCMVQVGVISGFKLECRKTTCNPCPLGYKEENNTGECCGRCLPTACTIQLRGGQIMTLKRDETLQDGCDTHFCKVNERGEYFWEKRVTGCPPFDEHKCLAEGGKIMKIPGTCCDTCEEPECNDITARLQYVKVGSCKSEVEVDIHYCQGKCASKAMYSIDINDVQDQCSCCSPTRTEPMQVALHCTNGSVVYHEVLNAMECKCSPRKCSK,Bisindolylmaleimide VIII,DB02637
4083,4083,4083,Not Available,[H][C@](CCN1C(=O)C2=CC=CC=C2C1=O)(CC(=O)C1=CC=C(C=C1)C1=CC=C(OCC)C=C1)C(O)=O,,N-acetyl-N'-beta-D-glucopyranosyl urea,DB05518
4084,4084,4084,Lecanemab is an amyloid beta-targeting antibody used to treat Alzheimer’s Disease in patients with mild cognitive impairment or mild dementia with a known amyloid beta pathology.,,EVQLVESGGGLVQPGGSLRLSCSASGFTFSSFGMHWVRQAPGKGLEWVAYISSGSSTIYYGDTVKGRFTISRDNAKNSLFLQMSSLRAEDTAVYYCAREGGYYYGRSYYTMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,AM103,DB04400
4085,4085,4085,Not Available,C[C@@H]([C@H](N)C(O)=O)C(O)=O,,Clomipramine,DB00073
4086,4086,4086,Not Available,[H][C@](C)(O)[C@@]1([H])O[C@@]([H])(N2C=NC3=C(C)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,4-methyl-umbelliferyl-N-acetyl-chitobiose,DB05039
4087,4087,4087,Not Available,[H][C@@]1(CNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C[C@]([H])(CN1)OCC1=CC=C(Cl)C=C1,,Fluorometholone,DB07279
4088,4088,4088,Zaleplon is a sedative used for short term treatment of insomnia in adults.,CCN(C(C)=O)C1=CC=CC(=C1)C1=CC=NC2=C(C=NN12)C#N,,Omacetaxine mepesuccinate,DB04781
4089,4089,4089,"CA-170 is a selective, small molecule inhibitor of PD-L1.",,,Panitumumab,DB02921
4090,4090,4090,Not Available,[H][C@]1(N)CN(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)C1=CC(=NC=N1)C1=CC=C(OC)N=C1,,beta-D-glucose 6-phosphate,DB00564
4091,4091,4091,,CN1CCN(CC1)C1=CC=C(C(=O)NC2=NNC3=CC=C(CC4=CC(F)=CC(F)=C4)C=C23)C(NC2CCOCC2)=C1,,Butyl alcohol,DB01275
4092,4092,4092,Not Available,[H][C@](CN)(NC(=O)C1=CC=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1,,D-glucitol 6-phosphate,DB02441
4093,4093,4093,Not Available,N[C@@H](C#C)C(O)=O,,"tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate",DB04250
4094,4094,4094,Rolitetracycline is a broad-spectrum tetracycline antibiotic used in cases needing high concentrations or when oral administration is impractical.,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C,,REP8839,DB03469
4095,4095,4095,Not Available,[H]N(O)C1=NC[C@@H](O)[C@H](O)[C@H]1O,,Dihydrolipoic Acid,DB03690
4096,4096,4096,Not Available,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,,Emtricitabine,DB15347
4097,4097,4097,"Fondaparinux is an anticoagulant used to prevent venous thromboembolism, to treat deep vein thrombosis, and to improve survival following myocardial infarction.",CO[C@H]1O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS(O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@H]1NS(O)(=O)=O,,Alpha-Aminobutyric Acid,DB00452
4098,4098,4098,Not Available,COC(=O)C1=CC(OC)=C(O)C=C1,,H3B-8800,DB08273
4099,4099,4099,Not Available,O[C@@H]([C@H](O)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2)[C@@H](CCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=C1C=CC=C2,,Isavuconazole,DB04474
4100,4100,4100,Infigratinib is an FGFR inhibitor used to treat locally advanced or metastatic cholangiocarcinoma in adults with a fibroblast growth factor receptor 2 (FGFR2) rearrangement.,CCN1CCN(CC1)C1=CC=C(NC2=CC(=NC=N2)N(C)C(=O)NC2=C(Cl)C(OC)=CC(OC)=C2Cl)C=C1,,"(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL",DB04560
4101,4101,4101,Not Available,[Mg++].CC(O)C([O-])=O.CC(O)C([O-])=O,,Branebrutinib,DB01595
4102,4102,4102,Tizanidine is an alpha-2 adrenergic agonist used for the short-term treatment of muscle spasticity.,ClC1=C(NC2=NCCN2)C2=NSN=C2C=C1,,R-348,DB02085
4103,4103,4103,Rolofylline is under clinical development by pharmaceutical company NovaCardia for the treatment of congestive heart failure.,CCCN1C2=C(NC(=N2)C23C[C@@H]4CC2C[C@H](C3)C4)C(=O)N(CCC)C1=O,,Fluocinolone acetonide,DB00116
4104,4104,4104,Not Available,OCCCCC(CCO)CCCCO,,Vanucizumab,DB01394
4105,4105,4105,Not Available,[H][C@@](O)(COC1=C(C)C=CC(C)=C1)CN1CCOCC1,,Betadex,DB08600
4106,4106,4106,AVE9633 is an anti-CD33 monoclonal antibody-DM4 conjugate.,,,Piperazine,DB09421
4107,4107,4107,Vinorelbine is a vinca alkaloid used in the treatment of metastatic non-small cell lung carcinoma (NSLC) and in conjunction with other drugs in locally advanced NSCLC.,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC)[C@]1(C[C@@]2([H])CN(CC(CC)=C2)CC2=C1NC1=CC=CC=C21)C(=O)OC,,4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one,DB05391
4108,4108,4108,Not Available,IC1=CC=CC(CNC2=C3CCCCC3=NC3=C2C=CC=C3)=C1,,CP-94707,DB08281
4109,4109,4109,Human C1-esterase inhibitor is a C1 inhibitor used to prevent angioedema attacks associated with hereditary angioedema.,,,Tagetitoxin,DB00830
4110,4110,4110,Not Available,[H][C@](N)(CC1=CC=CC=C1)B(O)O,,Saquinavir,DB08124
4111,4111,4111,"Oxaprozin is an NSAID used to treat osteoarthritis, rheumatoid arthritis, and juvenile rheumatoid arthritis.",OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1,,Capsicum oleoresin,DB05414
4112,4112,4112,"Pilaralisib is an orally available small molecule that selectively inhibits the activity of phosphoinositide-3 kinase (PI3K). Pilaralisib has been used in trials studying the treatment of Cancer, Lymphoma, Solid Tumors, Glioblastoma, and Breast Cancer, among others.",COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1,,Firocoxib,DB08458
4113,4113,4113,Rezafungin is an echinocandin antifungal indicated in patients over 18 years old who have limited or no alternative options for the treatment of candidemia and invasive candidiasis.,[H][C@](C)(O)[C@]1([H])\N=C(O)/[C@]([H])(C[C@@]([H])(O)[C@@]([H])(OCC[N+](C)(C)C)\N=C(O)/[C@@]2([H])N(C[C@]([H])(C)[C@]2([H])O)C(=O)[C@@]([H])(\N=C(O)/[C@@]([H])(\N=C(O)/[C@]2([H])C[C@@]([H])(O)CN2C1=O)[C@]([H])(O)[C@@]([H])(O)C1=CC=C(O)C=C1)[C@@]([H])(C)O)\N=C(/O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCCCCC)C=C1,,4-(5-Bromo-2-Oxo-2h-Indol-3-Ylazo)-Benzenesulfonamide,DB08088
4114,4114,4114,Not Available,COC1=CC2=C(OC(=C2)C2CCNCC2)C(Br)=C1,,Endostatin,DB01952
4115,4115,4115,"A key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of sucrose lipopolysaccharides, and glycosphingolipids.",OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,,Clofazimine,DB01004
4116,4116,4116,Firocoxib is a cycooxygenase-2 (COX-2) selective non-steroidal anti-inflammatory drug. It currently approved for veterinary use in dogs and horses under the brand names Equioxx and Previcox. Firocoxib was the first COX-2 inhibitor approved by the U.S. Food and Drug Administration for horses. Firocoxib is not intended or approved for use in human medicine.,CC1(C)OC(=O)C(OCC2CC2)=C1C1=CC=C(C=C1)S(C)(=O)=O,,"(R,R)-2,3-Butanediol",DB07579
4117,4117,4117,Not Available,[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]2([H])O,,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",DB00867
4118,4118,4118,"7-ethyl-10-hydroxycamptothecin (SN 38) is a liposomal formulation of the active metabolite of Irinotecan Irinotecan, a chemotherapeutic pro-drug approved for the treatment of advanced colorectal cancer. SN 38 has been used in trials studying the treatment of Cancer, Advanced Solid Tumors, Small Cell Lung Cancer, Metastatic Colorectal Cancer, and Triple Negative Breast Cancer, among others.",CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O,,Monoisopropylphosphorylserine,DB02365
4119,4119,4119,Not Available,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,,Eptifibatide,DB12157
4120,4120,4120,"Tigapotide is a synthetic 15-mer peptide that is derived from the natural sequence of amino acids of the prostate secretory protein (PSP94), one of three predominant proteins found in human seminal fluid.",,PGDSTRKCMDLKGNK,Avibactam,DB00518
4121,4121,4121,Not Available,[H][C@]12CO\C(=N/CCCCCCCC)N1[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O,,Dequalinium,DB01639
4122,4122,4122,"Tripelennamine is a histamine H1 antagonist used to treat hypersensitivity reactions, coughs, and the common cold.",CN(C)CCN(CC1=CC=CC=C1)C1=CC=CC=N1,,3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE,DB05169
4123,4123,4123,Not Available,NCC1=CC=C(NC(=O)C2=CC(NC3=NC=CC=N3)=C3C=C(C=CC3=C2)C(N)=N)C=C1,,Tariquidar,DB07720
4124,4124,4124,Not Available,N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O,,Isocitric Acid,DB07635
4125,4125,4125,Rutin is a flavonoid found in over-the-counter vitamin supplements.,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,,"2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone",DB11753
4126,4126,4126,Not Available,[H]N(OC[C@@H](O)CO)C(=O)C1=CC(Br)=C(F)C(F)=C1N([H])C1=C(F)C=C(I)C=C1,,"(5R,6S,7S,8S)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-A]piperidine",DB09108
4127,4127,4127,"Trapidil, a platelet-derived growth factor antagonist, was originally developed as a vasodilator and anti-platelet agent and has been used to treat patients with ischemic coronary heart, liver, and kidney disease.",CCN(CC)C1=CC(C)=NC2=NC=NN12,,Leukotriene C4,DB03725
4128,4128,4128,Not Available,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE",DB03683
4129,4129,4129,Not Available,CN(C)C1=CC=C(C=C1)\N=N\C1=CC=CC=C1C(O)=O,,gamma-Glutamyl[S-(2-iodobenzyl)cysteinyl]glycine,DB01366
4130,4130,4130,Not Available,N[C@@H](CSSCCO)C(O)=O,,"(2R)-2-{(1R)-2-oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2h-1,3-thiazine-4-carboxylic acid",DB06061
4131,4131,4131,Vinylglycine is an irreversible inhibitor of aspartate aminotransferase.,N[C@@H](C=C)C(O)=O,,"2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID",DB08333
4132,4132,4132,Not Available,ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O,,Carbaphosphonate,DB00881
4133,4133,4133,"Bevirimat, also known as PA-457 or YK-FH312, is investigated in clinical trials for treating HIV infection. Bevirimat is a solid. This compound belongs to the androgens and derivatives, which are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Bevirimat targets the protein gag-pol polyprotein. Bevirimat is derived from a betulinic acid-like compound, first isolated from Syzygium claviflorum, a Chinese herb. It is not currently FDA-approved, but is undergoing clinical trials conducted by the pharmaceutical company Panacos.",[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C,,Tocilizumab,DB03931
4134,4134,4134,Not Available,CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,"2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB08092
4135,4135,4135,Ozanimod is a sphingosine 1-phosphate receptor modulator being studied to treat Multiple Sclerosis (MS) and inflammatory bowel disease (IBD).,CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N,,Epoprostenol,DB00620
4136,4136,4136,Cycrimine is a drug used to reduce levels of acetylcholine to return a balance with dopamine in the treatment and management of Parkinson's disease.,OC(CCN1CCCCC1)(C1CCCC1)C1=CC=CC=C1,,Eflapegrastim,DB09236
4137,4137,4137,"AVI-4557 is an oral antisense compound that selectively inhibits the metabolic enzyme cytochrome P450 3A4 (CYP), a liver enzyme responsible for the metabolism or breakdown of approximately half of currently marketed drugs. Studies indicate that AVI-4557 can successfully reduce the rate of metabolism for certain drugs, therefore allowing greater and longer availability of the drug in the patient's system through a decrease in clearance and an increase in maximal blood concentration (Cmax). AVI-4557 is therefore indicated to limit toxicity for patients receiving highly-toxic therapeutic drugs for treatment of anxiety, cancer, and a number of other serious conditions.",,,"5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol",DB02796
4138,4138,4138,Not Available,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=CC(Br)=CC=C12,,Dihydroxy(oxo)molybdenum(6+),DB04289
4139,4139,4139,Not Available,[H]\C(=C(\[H])C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C1=C(N[C@]([H])(SC1)[C@]([H])(N=C([O-])CC1=CC=CS1)C(=O)OC[C@]([H])(N)C([O-])=O)C(O)=O,,Bufuralol,DB02689
4140,4140,4140,Not Available,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)O[C@]2(C[C@@H](O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H]1O,,Obatoclax,DB12364
4141,4141,4141,Not Available,CC(C)C1=CC(OC2=C(C)C=C(C=C2C)N2N=CC(=O)NC2=O)=CC=C1O,,1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-phenylurea,DB08422
4142,4142,4142,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS[C@@]1([H])C[C@H](O)O[C@@H]1CCCCC)C(=O)N([H])CC(O)=O)C(O)=O,,Fenofibric acid,DB00989
4143,4143,4143,"Adapalene is a third-generation topical retinoid with anti-comedogenic, comedolytic, and anti-inflammatory properties used to treat acne vulgaris in adolescents and adults.",COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2,,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile,DB03962
4144,4144,4144,Not Available,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC(=CC=C1O)C1=CC=CC=C1,,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE",DB02668
4145,4145,4145,Not Available,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,,Labradimil,DB04127
4146,4146,4146,"Benzatropine is an anticholinergic drug used to treat Parkinson's disease (PD) and extrapyramidal symptoms, except tardive dyskinesia.",[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2C,,NPS-2143,DB00222
4147,4147,4147,Dextropropoxyphene is an opioid analgesic used to treat mild to moderate pain.,CCC(=O)O[C@@](CC1=CC=CC=C1)([C@H](C)CN(C)C)C1=CC=CC=C1,,Deacetoxyvinzolidine,DB03607
4148,4148,4148,"Phentolamine is an alpha-adrenergic blocker used to treat hypertensive episodes, diagnose pheochromocytoma, treat norepinephrine administration site reactions, and reverse soft tissue anesthesia and mydriasis.",CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1,,"2-Prolyl-5-Tert-Butyl-[1,3,4]Oxadiazole",DB01078
4149,4149,4149,Not Available,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,,"2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline",DB06734
4150,4150,4150,Not Available,NC1=C(C=NN1C1=CC=C(Cl)C=C1)C#N,,Spiramycin,DB14962
4151,4151,4151,Not Available,[H][C@]1(F)[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,,"S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate",DB13896
4152,4152,4152,Not Available,[H][C@@](N)(C[C@]([H])(CC1=CC2=CC=CC=C2C=C1)C(O)=O)C(O)=O,,"2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate",DB07677
4153,4153,4153,Not Available,O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,,Risedronic acid,DB02269
4154,4154,4154,Not Available,CNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)N1CCC(=O)N(CC2=CC3=CC=CC=C3N=C2)[C@@H](CC(C)C)C1=O,,Succinylcholine,DB07926
4155,4155,4155,Insulin beef has been discontinued in the US and Canada since 2017.1,,,Tetryzoline,DB04695
4156,4156,4156,Not Available,[H][C@@](CCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O,,"N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE",DB07915
4157,4157,4157,Not Available,OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,,Spartalizumab,DB01784
4158,4158,4158,Not Available,CC(C)SC(N)=N,,"(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID",DB11938
4159,4159,4159,Not Available,[H][C@]1(CSCN1)C(O)=O,,Pteroic acid,DB05448
4160,4160,4160,Not Available,FC1=CC=C(CN2C(NC3CCNCC3)=NC3=CC=CC=C23)C=C1,,Caspofungin,DB15011
4161,4161,4161,Not Available,CS(=O)(=O)C1=CC=C(C=C1)C(N)=N,,Nojirimycine Tetrazole,DB00293
4162,4162,4162,Not Available,[H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O,,LY231514 tetra glu,DB14041
4163,4163,4163,"Nitrazepam is a long-acting benzodiazepine with intermediate onset commonly used to treat panic disorders, severe anxiety, insomnia, and seizures.",[O-][N+](=O)C1=CC2=C(NC(=O)CN=C2C2=CC=CC=C2)C=C1,,Matuzumab,DB01789
4164,4164,4164,Tolnaftate is an antifungal agent used to treat various skin infections caused by fungi.,CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1,,Eravacycline,DB04934
4165,4165,4165,Repaglinide is a antihyperglycemic used to improve glycemic control in diabetes.,CCOC1=C(C=CC(CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N2CCCCC2)=C1)C(O)=O,,Chloroprocaine,DB07944
4166,4166,4166,Diacerein is an slow-onset anthraquinone IL-1 inhibitor used in the treatment of degenerative joint diseases like osteoarthritis.,CC(=O)OC1=CC=CC2=C1C(=O)C1=C(OC(C)=O)C=C(C=C1C2=O)C(O)=O,,4-[(5-CHLOROINDOL-2-YL)SULFONYL]-2-(2-METHYLPROPYL)-1-[[5-(PYRIDIN-4-YL)PYRIMIDIN-2-YL]CARBONYL]PIPERAZINE,DB01817
4167,4167,4167,Lenacapavir is a first-in-class capsid inhibitor being investigated for use in HIV-1 treatment.,[H][C@]12C[C@@]1([H])C(F)(F)C1=C2C(=NN1CC(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)C1=NC(=CC=C1C1=CC=C(Cl)C2=C1N(CC(F)(F)F)N=C2NS(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F,,2(S)-Amino-6-Boronohexanoic Acid,DB01044
4168,4168,4168,Cenegermin is a recombinant human nerve growth factor used to treat neurotrophic keratitis.,,,Inhibitor Bea428,DB06968
4169,4169,4169,Casimiroin is a quinone reductase 2 inhibitor isolated from Casimiroa edulis.,COC1=CC(=O)N(C)C2=C3OCOC3=CC=C12,,Voacamine,DB08077
4170,4170,4170,Not Available,OCC1=NNN=C1C1=CC2=C(C=C1)C(=NN2)C1=CC2=C(N1)C=CC(CN1CCCCC1)=C2,,"5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE",DB00883
4171,4171,4171,Magnesium acetate tetrahydrate is an ionic compound used for electrolyte replenishment and total parenteral nutrition (TPN) therapy.,O.O.O.O.[Mg++].CC([O-])=O.CC([O-])=O,,Bucladesine,DB04216
4172,4172,4172,Not Available,N[C@@H](CCCC[NH3+])C(N)=O,,Malathion,DB04632
4173,4173,4173,Not Available,FC1=C(C=CC=C1)C1=CC(=CC=N1)C1=CC2=C(CCNC2=O)N1,,Nicotinamide 8-bromo-adenine dinucleotide phosphate,DB00671
4174,4174,4174,"NRP409 is a triiodothyronine (T3) hormone, being investigated by New River Pharmaceuticals as a treatment for patients with primary hypothyroidism.",,,Brinzolamide,DB03553
4175,4175,4175,Thioridazine is a phenothiazine antipsychotic used to treat schizophrenia and generalized anxiety disorder.,CSC1=CC2=C(SC3=CC=CC=C3N2CCC2CCCCN2C)C=C1,,2-deoxy-2-fluoro-α-D-mannose,DB07224
4176,4176,4176,Vildagliptin is a once-daily dipeptidyl peptidase 4 (DPP-4) inhibitor used in the management of type 2 diabetes mellitus.,OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N,,Reidispongiolide A,DB13140
4177,4177,4177,Vanoxerine is an investigational dopamine transporter antagonist suggested to be beneficial in the treatment of cocaine addiction.,FC1=CC=C(C=C1)C(OCCN1CCN(CCCC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,,Isovaleric Acid,DB07173
4178,4178,4178,Not Available,[H][C@@]12CCCCN1C(=O)C(=O)C(C)(C)COC(=O)CCCCCCCCCCCOC2=O,,L-2-aminopimelic acid,DB03212
4179,4179,4179,Not Available,N[C@@H](CCC(=O)N[C@@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O,,Belimumab,DB06681
4180,4180,4180,"Clorobiocin is an aminocoumarin antibiotic, similar to novobiocin and coumermycin A1.",CO[C@@H]1[C@@H](OC(=O)C2=CC=C(C)N2)[C@@H](O)[C@H](OC2=C(Cl)C3=C(C=C2)C(O)=C(NC(=O)C2=CC(CC=C(C)C)=C(O)C=C2)C(=O)O3)OC1(C)C,,Dofetilide,DB14581
4181,4181,4181,Not Available,CC(C)(C)O,,Dibromotyrosine,DB08800
4182,4182,4182,Not Available,[H][C@@](C[P@@](O)(=O)[C@@]([H])(NS(=O)(=O)CCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC=CC(CN)=C1,,Glycol salicylate,DB01630
4183,4183,4183,Medazepam is a long-acting benzodiazepine used for its sedative and anxiolytic properties.,CN1CCN=C(C2=CC=CC=C2)C2=C1C=CC(Cl)=C2,,Icotinib,DB01035
4184,4184,4184,Not Available,[H]N1C(=O)C(=C)OC2=CC(OC)=CC(C(=O)O[C@H]3COC(=O)C[C@@H](C4=CC(O)=C(O[C@]5([H])C6=C(C=C3C=C6)C3=CC=C[C@]53O[C@@H]3OC(C)(C)[C@H]([C@@H](O)[C@H]3O)N(C)C)C(Cl)=C4)[N+]([H])([H])[H])=C12,,Gabaculine,DB16820
4185,4185,4185,"An isoflavonoid derived from soy products. It inhibits protein-tyrosine kinase and topoisomerase-II (DNA topoisomerases, type II) activity and is used as an antineoplastic and antitumor agent. Experimentally, it has been shown to induce G2 phase arrest in human and murine cell lines.",OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O,,Ceftazidime,DB04442
4186,4186,4186,Ixabepilone is a microtubule inhibitor administered in combination with capecitabine or alone in the treatment of metastatic or locally advanced breast cancer that has shown inadequate response to taxanes and anthracyclines.,[H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\C1=CSC(C)=N1,,"4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile",DB05906
4187,4187,4187,"Cystine is an oxidated derivative of the amino acid cysteine found in various nutritional products, acne treatments, and creams to treat cervical injury or inflammation.",N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O,,ES-936,DB08148
4188,4188,4188,Not Available,[H][C@]1(CCC2=C1C=CC=C2O)\N=C\C=C,,"2-(3-BROMOPHENYL)-6-[(2-HYDROXYETHYL)AMINO]-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE",DB03077
4189,4189,4189,Not Available,CC1=C(SC2=CC=CC=C2)N(COCCO)C(=O)NC1=O,,"(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid",DB09017
4190,4190,4190,"Arbutamine, administered through a closed-loop, computer-controlled drug-delivery system, is indicated to elicit acute cardiovascular responses, similar to those produced by exercise, in order to aid in diagnosing the presence or absence of coronary artery disease in patients who cannot exercise adequately .",O[C@@H](CNCCCCC1=CC=C(O)C=C1)C1=CC(O)=C(O)C=C1,,1-Deoxy-1-acetylamino-beta-D-gluco-2-heptulopyranosonamide,DB02894
4191,4191,4191,Adenosine is a medication used in myocardial perfusion scintigraphy and to treat supraventricular tachycardia.,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,,Kelatorphan,DB08636
4192,4192,4192,Lofexidine is a centrally acting alpha2-adrenergic agonist used for the symptomatic treatment of acute opioid withdrawal syndrome to facilitate abrupt opioid discontinuation in adults.,CC(OC1=C(Cl)C=CC=C1Cl)C1=NCCN1,,UDP-alpha-D-xylose,DB06097
4193,4193,4193,Mk 0752 is under investigation in clinical trial NCT00572182 (MK0752 in Treating Young Patients With Recurrent or Refractory CNS Cancer).,OC(=O)CC[C@H]1CC[C@@](CC1)(C1=C(F)C=CC(F)=C1)S(=O)(=O)C1=CC=C(Cl)C=C1,,Fenoldopam,DB02268
4194,4194,4194,Not Available,[H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O,,Idoxuridine,DB01033
4195,4195,4195,Tilsotolimod is under investigation in clinical trial NCT03865082 (Study of Tilsotolimod in Combination With Nivolumab and Ipilimumab for the Treatment of Solid Tumors (ILLUMINATE-206)).,,,Setiptiline,DB11327
4196,4196,4196,Not Available,[H][C@]1(CO[C@]2([H])[C@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC(=CC=C1)C(N)=N,,Nz-(1-Carboxyethyl)-Lysine,DB08423
4197,4197,4197,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CSC(O)OCC1=CC=C(C=C1)[N+]([O-])=O)C(=O)N([H])CC(O)=O)C(O)=O,,3'-O-N-Octanoyl-a-D-Glucopyranosyl-B-D-Fructofuranoside,DB13170
4198,4198,4198,Abaloparatide is a parathyroid hormone-related protein (PTHrP) analog used for the treatment of osteoporosis in patients with a high risk of fracture.,,AVSEHQLLHDKGKSIQDLRRRELLEKLLXKLHTA,Elexacaftor,DB02137
4199,4199,4199,A transdermal gel containing ethinyl estradiol and norelgestromin being investigated by Antares Pharma for use as a female contraceptive.,,,2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID,DB08579
4200,4200,4200,Not Available,[H][C@]1(CC2=CC=C(Cl)C(Cl)=C2)SC(=S)N(NS(=O)(=O)C2=CC=CS2)C1=O,,Clenbuterol,DB04799
4201,4201,4201,Spartalizumab is under investigation in clinical trial NCT02605967 (Safety and Efficacy Study of PDR001 in Patients With Recurrent or Metastatic Nasopharyngeal Carcinoma).,,,Chlorcyclizine,DB05697
4202,4202,4202,Not Available,[H][C@](O)(CO)[C@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CCO)C(=O)CCCCCCCC,,Metenkefalin,DB12248
4203,4203,4203,Not Available,CC(C)[C@@H](N)C(=O)NO,,Olomoucine,DB12773
4204,4204,4204,"A compound that, along with its isomer, Cleland's reagent (dithiothreitol), is used for the protection of sulfhydryl groups against oxidation to disulfides and for the reduction of disulfides to sulfhydryl groups. [PubChem]",[H][C@](O)(CS)[C@]([H])(O)CS,,Allolactose,DB07649
4205,4205,4205,Not Available,CC1=CC=CC=C1S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(C=C1)C#N)C(O)=O,,Midostaurin,DB15163
4206,4206,4206,Aurodox is an antibiotic obtained from a streptomyces variant considered as possibly effective against streptococcus pyogenes infections. It may promote growth in poultry.,[H][C@@]1(O[C@@]([H])([C@H](C)[C@H](OC)C(\C)=C\C=C\CNC(=O)[C@@H](CC)[C@@]2(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O)\C=C\C=C\C=C(/C)C(=O)C1=C(O)C=CN(C)C1=O,,5-Chloro-N-{(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]-2-oxo-3-pyrrolidinyl}-1H-indole-2-sulfonamide,DB00852
4207,4207,4207,Not Available,OP(O)(=O)CC=O,,"4-(2-{[4-{[3-(4-Chlorophenyl)Propyl]Sulfanyl}-6-(1-Piperazinyl)-1,3,5-Triazin-2-Yl]Amino}Ethyl)Phenol",DB02597
4208,4208,4208,Velpatasvir is a NS5A inhibitor used to treat chronic hepatitis C infections in patients without cirrhosis or with compensated cirrhosis.,COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)C1=CC=CC=C1)C1=NC=C(N1)C1=CC=C2C(COC3=CC4=C(C=CC5=C4NC(=N5)[C@@H]4CC[C@H](C)N4C(=O)[C@@H](NC(=O)OC)C(C)C)C=C23)=C1,,"4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile",DB06739
4209,4209,4209,Moexipril is an angiotensin converting enzyme inhibitor prodrug used to treat hypertension.,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC(OC)=C(OC)C=C2C[C@H]1C(O)=O,,Toremifene,DB04487
4210,4210,4210,Parathyroid hormone is an analog of human parathyroid hormone (PTH) used to treat hypocalcemia caused by hypoparathyroidism.,,SVSEIQLMHNLGKHLNSMERVEWLRKKLQDVHNFVALGAPLAPRDAGSQRPRKKEDNVLVESHEKSLGEADKADVNVLTKAKSQ,N-Methylmesoporphyrin containing copper,DB08226
4211,4211,4211,Pyrimethamine is an antiparasitic drug used in the prevention and treatment of toxoplasmosis and malaria.,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1,,(R)-1-phenylethanol,DB12119
4212,4212,4212,Ceritinib is an antineoplastic kinase inhibitor used to treat anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) in patients with inadequate clinical response or intolerance to crizotinib.,CC(C)OC1=C(NC2=NC(NC3=CC=CC=C3S(=O)(=O)C(C)C)=C(Cl)C=N2)C=C(C)C(=C1)C1CCNCC1,,S-octylglutathione,DB04662
4213,4213,4213,"Hyaluronic acid is a glycosaminoglycan used for the relief of joint pain, wound healing, ophthalmologic treatment, cosmetic treatment, and various other applications.",CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)C1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O,,Gavorestat,DB08370
4214,4214,4214,"Guanosine is a nucleoside comprising guanine attached to a ribose (ribofuranose) ring via a β-N9-glycosidic bond. Guanosine can be phosphorylated to become GMP (guanosine monophosphate), cGMP (cyclic guanosine monophosphate), GDP (guanosine diphosphate) and GTP (guanosine triphosphate) which are factors in signal transduction pathways.",NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,,"6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid",DB06918
4215,4215,4215,Not Available,CSCC[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)NC=NC12,,Ephedra sinica rootCommonly known or available as Ephedra,DB05595
4216,4216,4216,Not Available,NCC1=C(C=CC=C1)C1=CC=CC=C1,,Pimagedine,DB02059
4217,4217,4217,"Chloroquine is an antimalarial drug used to treat susceptible infections with P. vivax, P. malariae, P. ovale, and P. falciparum. It is also used for second line treatment for rheumatoid arthritis.",CCN(CC)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12,,Phencyclidine,DB08108
4218,4218,4218,Not Available,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC,,3-(4-Phenylamino-Phenylamino)-2-(1h-Tetrazol-5-Yl)-Acrylonitrile,DB07760
4219,4219,4219,Baloxavir marboxil is a polymerase acidic endonuclease inhibitor used to treat uncomplicated influenza.,[H][C@@]12COCCN1C(=O)C1=C(OCOC(=O)OC)C(=O)C=CN1N2[C@H]1C2=CC=C(F)C(F)=C2CSC2=CC=CC=C12,,L-Rhamnitol,DB03984
4220,4220,4220,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)S(=O)(=O)N1CCC[C@]1([H])C(O)=O)C(O)=O,,"(3S)-3-hydroxy-1-methyl-2,3-dihydro-1H-indole-5,6-dione",DB05207
4221,4221,4221,Not Available,[H]N1C(=S)N2C[C@H](C)N(CC=C(C)C)CC3=C(Cl)C=CC1=C23,,"N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE",DB04526
4222,4222,4222,N2-[(benzyloxy)carbonyl]-n1-[(3S)-1-cyanopyrrolidin-3-yl]-l-leucinamide is a solid. This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. It is known to target cathepsin K.,[H][C@@](CC(C)C)(NC(=O)OCC1=CC=CC=C1)C(=O)N[C@]1([H])CCN(C1)C#N,,Heptanoic acid,DB07335
4223,4223,4223,Not Available,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,,Asenapine,DB02138
4224,4224,4224,Not Available,CN1C=NC(C[C@H](N)C(O)=O)=C1,,K-00546,DB02850
4225,4225,4225,Pramocaine is a local anesthetic and antipruritic agent found in various topical preparations.,CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1,,Benzophenone,DB16222
4226,4226,4226,Apraclonidine is an alpha adrenergic agonist used to treat raised intraocular pressure.,NC1=CC(Cl)=C(NC2=NCCN2)C(Cl)=C1,,Phenacetin,DB05854
4227,4227,4227,Not Available,O=C(CC1=CC=C(C=C1)N1CCCCC1)NC1=NNC2=C1C=C(C=C2)N1CCCS1(=O)=O,,"4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE",DB08247
4228,4228,4228,Olokizumab is a humanized anti-IL-6 IgG4κ antibody under investigation for use in autoimmune conditions including rheumatoid arthritis.,,,2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose,DB00277
4229,4229,4229,"PSN9301 is an oral small molecule inhibitor of Dipeptidyl Peptidase IV (DP-IV), being developed for the treatment of type 2 diabetes. PSN9301 has a very rapid onset and a relatively short duration of action, and available pre-clinical and clinical data indicate that it may be an ideal product candidate for meal-related dosing.",,,2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE,DB13978
4230,4230,4230,Estramustine is an antineoplastic agent used for the management of metastatic and/or progressive prostate cancer in palliative setting.,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(=O)N(CCCl)CCCl)C=C3CC[C@@]21[H],,Metoprine,DB05740
4231,4231,4231,Not Available,CC1=CC=C(C=C1)C1=NN(C2=C1C(N)=NC=N2)C(C)(C)C,,Technetium Tc-99m tilmanocept,DB04459
4232,4232,4232,Not Available,[H][C@]1(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]([H])(OS(O)(=O)=O)[C@]1([H])OS(O)(=O)=O,,1-Butane Boronic Acid,DB00595
4233,4233,4233,Not Available,COC1=CC(OC)=C(\C=C2\C(=O)NC3=CC=CC=C23)C(OC)=C1,,N-cyclohexyltaurine,DB00248
4234,4234,4234,Not Available,OCC(Br)=C,,KIN-3248,DB06948
4235,4235,4235,"GC-373 is a peptide aldehyde which is metabolized from the bisulfide adduct, GC-376 free acid1,2. It is an inhibitor of Mpro (otherwise known as 3CLpro), a viral encoded protease that cleaves and activates functional proteins involved in viral replication and transcription2. GC-373 has been shown to inhibit the Mpro target in various coronavirus strains, including feline, mink, and ferret Mpro 3. Along with its prodrug, GC-376, GC-373 was recently investigated in vitro in cell culture against SARS-Cov-2 Mpro 2. The results showed potent inhibition of the target, suggesting that GC-373 holds therapeutic potential for Covid-192.",CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CC1CCNC1=O)C=O,,4-Nitrophenyl-Ara,DB02406
4236,4236,4236,Fluvastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and reduce the risk of cardiovascular disease including myocardial infarction and stroke.,CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1,,4-hydroxycoumarin,DB02393
4237,4237,4237,Not Available,OC1=CC=CC(Cl)=C1,,MM3122,DB04342
4238,4238,4238,Insulin glulisine is a short-acting form of insulin used for glycemic control in type 1 and type 2 diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,Amitriptyline,DB01031
4239,4239,4239,"Developed by Sanofi-Aventis (formerly Sanofi-Synthelabo), osanetant (SR-142801) is an NK3 receptor antagonist which was under development for the treatment of schizophrenia and other Central Nervous System (CNS) disorders. In a review of its R&D portfolio, the company announced in August 2005 that it would cease any further development of osanetant. This follows an earlier decision to discontinue development of eplivanserin for schizophrenia.",CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1,,Trandolapril,DB15534
4240,4240,4240,Not Available,[H][C@@](CC1=CC=CC=C1)(OC1=CC=C(Cl)C=C1)C(O)=O,,Butobarbital,DB08550
4241,4241,4241,Not Available,[H][C@@](CNC(=O)C1=NC=CS1)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@]([H])(C(=O)NC)C(C)(C)C,,Phenylpyruvic acid,DB02804
4242,4242,4242,Treprostinil is a prostacyclin vasodilator for the treatment of pulmonary arterial hypertension to relieve exercise associated symptoms and to prevent clinical deterioration after stopping epoprostenol.,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1,,Tacrolimus,DB14109
4243,4243,4243,Terbinafine is an allylamine antifungal used to treat dermatophyte infections of toenails and fingernails as well as other fungal skin infections.,CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12,,Ketobemidone,DB06273
4244,4244,4244,Vedolizumab is an integrin blocker and anti-inflammatory agent used to manage ulcerative colitis and Crohn's disease in adults.,,QVQLVQSGAEVKKPGASVKVSCKGSGYTFTSYWMHWVRQAPGQRLEWIGEIDPSESNTNYNQKFKGRVTLTVDISASTAYMELSSLRSEDTAVYYCARGGYDGWDYAIDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELAGAPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Liotrix,DB02953
4245,4245,4245,Not Available,[H]N1C=C([C@H]2[C@H](O)[C@H](O)[C@@H](CSC)[N+]2([H])[H])C2=C1C(=O)N=CN2[H],,Dextrothyroxine,DB12845
4246,4246,4246,Not Available,[H]N([H])C(=O)C1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](OP(O)(O)=O)[C@@H]3O)N3C=NC4=C(N=CN=C34)N([H])[H])[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)C1,,Alirocumab,DB07138
4247,4247,4247,4-(4-fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine is a solid. This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. This substance targets the protein methionine aminopeptidase.,FC1=CC=C(NN=C2C(=N)N=NC2=N)C=C1,,[(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid,DB00990
4248,4248,4248,Xylitol is an ingredient added to dental products to remove bacteria.,OC[C@H](O)[C@@H](O)[C@H](O)CO,,"5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE",DB07726
4249,4249,4249,Almotriptan is a 5-HT1B/1D receptor agonist used to treat migraines.,CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2,,"Compound 5, 2-(Naphthalen-1-Yl-Oxalyl-Amino)-Benzoicacid",DB07248
4250,4250,4250,Not Available,CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCC1=CC=C(C=C1)C(N)=N,,"8-Hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid",DB00661
4251,4251,4251,Not Available,CC(=N)NCCC[C@H](N)C(O)=O,,Repinotan,DB02657
4252,4252,4252,A phenothiazine used as an antipsychotic agent and as an antiemetic.,CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F,,Mequitazine,DB08268
4253,4253,4253,Not Available,CCCCCC\C=C/CCCCCCCC(O)=O,,4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid,DB04593
4254,4254,4254,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC=C(C=C1)[C@@]([H])(CCCC1C(O)=N[C@]([H])(N)N[C@]1([H])N)C(O)(O)C(F)(F)F)C(O)=O,,Perhexiline,DB12411
4255,4255,4255,Dinoprostone is a prostaglandin used to induce labor or abortion as well as to treat nonmetastatic gestational trophoblastic disease.,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,,Ethyl N-methylcarbamate,DB08270
4256,4256,4256,Not Available,[H][C@@]([NH3+])(CO)CC1=CN=CN1,,Voglibose,DB02754
4257,4257,4257,Bopindolol (INN) is an ester prodrug for the beta blocker pindolol.,CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C1=CC=CC=C1,,Metoclopramide,DB06457
4258,4258,4258,Not Available,COC1=C(OC)C=C2C3=C([NH+]=CC2=C1)C1=C(C3)C=C2OCOC2=C1,,Evolocumab,DB04270
4259,4259,4259,"Highly potent and selective non-competitive antagonist acting at the strychnine-insensitive glycine binding site of the NMDA receptor-channel complex (Kd = 0.8 nM). Gavestinel displays > 1000-fold selectivity over NMDA, AMPA and kainate binding sites and is orally bioavailable and active in vivo.",OC(=O)C1=C(\C=C\C(=O)NC2=CC=CC=C2)C2=C(Cl)C=C(Cl)C=C2N1,,BMSC-0013,DB07867
4260,4260,4260,Edoxudine is a deoxythymidine analog used to treat herpetic keratitis.,CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,,"2-{(9as)-9a-[(1s)-1-Hydroxyethyl]-2,7-Dimethyl-9a,10-Dihydro-5h-Pyrimido[4,5-D][1,3]Thiazolo[3,2-a]Pyrimidin-8-Yl}Ethyl Trihydrogen Diphosphate",DB04865
4261,4261,4261,,CC1=C(CCO[P@](O)(=O)O[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,,(3R)-3-{[(Benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium,DB02987
4262,4262,4262,Not Available,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1,,"3-{2,6,8-trioxo-9-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1,2,3,6,8,9-hexahydro-7H-purin-7-Yl}propyl dihydrogen phosphate",DB01631
4263,4263,4263,"At low concentrations, this compound inhibits reduction of conventional hydrophilic electron acceptors, probably acting as a plastoquinone antagonist. At higher concentrations, it acts as an electron acceptor, intercepting electrons either before or at the site of its inhibitory activity. [PubChem]",CC(C)C1=C(Br)C(=O)C(C)=C(Br)C1=O,,Bafilomycin B1,DB07797
4264,4264,4264,Not Available,C\C(O)=C(/C#N)C(=O)NC1=CC(Cl)=C(C=C1)C1=CC=CC=C1Cl,,"6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine",DB01115
4265,4265,4265,Not Available,CC(C)CCN1C(=O)C(C2=NS(=O)(=O)C3=CC=CC=C3N2)=C(O)C2=CC=CC=C12,,Cambinol,DB07555
4266,4266,4266,"Bioymifi is a small molecule that acts as a tumor necrosis factor-related apoptosis-induced ligand (TRAIL) mimetic. Upon binding to the death receptor 5 (DR5) on cancer cells, bioymifi triggers apoptosis, possibly through a caspase-dependent pathway. Bioymifi is currently being investigated as an anti-tumor agent.1,2",[H]N=C1S\C(=C(\[H])C2=CC=C(O2)C2=CC3=C(C=C2)C(O)=NC3=O)C(=O)N1C1=CC=C(Br)C=C1,,N-(indole-3-acetyl)-L-aspartic acid,DB07084
4267,4267,4267,"Niflumic acid is a cyclooxygenase-2 inhibitor used to alleviate inflammation, pain, and edema associated with acute and chronic inflammatory conditions, such as rheumatoid arthritis, osteoarthritis, post-operative inflammatory conditions, and physical trauma.",OC(=O)C1=C(NC2=CC=CC(=C2)C(F)(F)F)N=CC=C1,,(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine,DB03940
4268,4268,4268,Troglitazone was withdrawn in 2000 due to risk of hepatotoxicity. It was superseded by pioglitazone and rosiglitazone.,CC1=C(C)C2=C(CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)O2)C(C)=C1O,,CGP 4832,DB00814
4269,4269,4269,ABX-PTH is a fully human monoclonal antibody generated by Abgenix's technology platform. This drug targets and neutralizes the action of parathyroid hormone (PTH) for the treatment of a secondary hyperparathyroidism.,,,Veliparib,DB03444
4270,4270,4270,Not Available,[H]N1C=C([C@@H]2N([H])[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],,(2Z)-N-(3-chloro-2'-methoxybiphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide,DB06785
4271,4271,4271,"WX-UK1 is a 3-amidinophenylalanine-based non-cytotoxic small molecule that belongs to a new class of drugs. In animal models, WX-UK1 blocks tumor cell invasion, metastasis and primary tumor growth by inhibiting serine proteases and the urokinase Plasminogen Activator (uPA) system, which have been shown to play a key role in metastasis and primary tumor growth of breast, gastric, colon cancer, and various other solid tumors. Independent studies show that administration of Wx-UK1 resulted in a decrease of tumor cell invasion, suggesting its efficacy as a an adjuvant antimetastatic therapy of carcinomas.",Cl.CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C,,Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester,DB04298
4272,4272,4272,Ganirelix is a GnRH antagonist used in assisted reproduction in women undergoing controlled ovarian hyperstimulation to control ovulation by inhibiting the premature LH surges.,CCNC(NCC)=NCCCC[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,,Oxazepam,DB04957
4273,4273,4273,"PhIP (2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine) has been used in trials studying the basic science of Pancreas Cancer.",CN1C(N)=NC2=NC=C(C=C12)C1=CC=CC=C1,,LY-294002,DB07091
4274,4274,4274,Not Available,CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1,,SP1049C,DB07811
4275,4275,4275,Not Available,[H]N(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,,13-deoxydoxorubicin,DB06281
4276,4276,4276,Not Available,[H][C@]1(CC2=C(Cl)C=CC=C2)CCCN1C(=O)C1=CC(Br)=CC=C1N,,Indecainide,DB00630
4277,4277,4277,Not Available,CC(=O)NCC(O)=O,,Capravirine,DB13346
4278,4278,4278,Mavorixafor is a CXC chemokine receptor 4 antagonist used to treat WHIM syndrome.,NCCCCN(CC1=NC2=CC=CC=C2N1)[C@H]1CCCC2=C1N=CC=C2,,"Cp-166572, 2-Hydroxymethyl-4-(4-N,N-Dimethylaminosulfonyl-1-Piperazino)-Pyrimidine",DB06584
4279,4279,4279,Not Available,[H]N(C)C(=O)[C@H]1CC2=C(CN1C(=O)OC(C)(C)C)C=C(C=C2)N([H])S(O)(=O)=O,,2-(Acetylamino)-2-Deoxy-6-O-Methyl-Alpha-D-Allopyranose,DB04879
4280,4280,4280,Not Available,CC(C)(C1=CC=C(OCC2CO2)C=C1)C1=CC=C(OCC2CO2)C=C1,,"3-(3-methoxybenzyl)-1H-pyrrolo[2,3-b]pyridine",DB08669
4281,4281,4281,Cysteamine is a cystine depleting agent used to treat the effects of cystinosis.,NCCS,,Phosphoramidon,DB02616
4282,4282,4282,Not Available,[H][C@@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12,,2-Hydroxy-5-({1-[(2-Naphthyloxy)Methyl]-3-Oxoprop-1-Enyl}Amino)Tyrosine,DB04915
4283,4283,4283,Not Available,[H][C@](CO)(CCC1=CC=CC2=C1C=CC=C2)N1C=NC(=C1)C(N)=O,,Pyromellitic Acid,DB01864
4284,4284,4284,Not Available,OC(=O)CO\N=C1/C2=CC=CCC2=N/C/1=C1\C(=O)N=C2CC=CC=C12,,"3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol",DB02084
4285,4285,4285,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@]3([H])F)[C@@H](O)[C@H]2O)C1=O,,Adefovir dipivoxil,DB03703
4286,4286,4286,"Tofacitinib is a Janus kinase (JAK) inhibitor used to treat rheumatic conditions, such as rheumatoid arthritis and ankylosing spondylitis, and ulcerative colitis.",C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N,,SYRINGATE,DB00334
4287,4287,4287,"Zeranol is a non-steroidal estrogen agonist. It is a mycotoxin, derived from fungi in the Fusarium family, and may be found as a contaminant in fungus-infected crops. It is 3-4x more potent as an estrogen agonist than the related compound zearalenone.",C[C@H]1CCC[C@H](O)CCCCCC2=CC(O)=CC(O)=C2C(=O)O1,,Thymidine-5'-diphospho-beta-D-xylose,DB08166
4288,4288,4288,"LY2181308 is investigated in clinical trials for treating solid tumors. LY2181308 is a solid. LY2181308 is directed against a molecular target called survivin. LY2181308 is known to target baculoviral IAP repeat-containing protein 5. LY2181308 is an anti-sense oligonucleotide that potently downregulated survivin expression in human cancer cells derived from lung, colon, breast, prostate, ovary, cervix, skin and brain.",,,"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE",DB06986
4289,4289,4289,"Kappadione is a Vitamin K derivative (chemically, it is menadiol sodium diphosphate), previously approved by FDA prior to 1982 and marketed by Lilly Marketing for this drug has been discontinued and is not available in North America 3. It has been found to have carcinogenic potential in mammalian cells as well as cytotoxic properties 4. Studies involving the active metabolite of this formulation, menadione, showed oocyte toxicity in a study of mice 4.",[Na+].[Na+].[Na+].[Na+].CC1=C(OP([O-])([O-])=O)C2=CC=CC=C2C(OP([O-])([O-])=O)=C1,,"N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine",DB08633
4290,4290,4290,Not Available,C[C@H](C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,,5-(2-methylpiperazine-1-sulfonyl)isoquinoline,DB08177
4291,4291,4291,"Warfarin is a vitamin K antagonist used to treat venous thromboembolism, pulmonary embolism, thromboembolism with atrial fibrillation, thromboembolism with cardiac valve replacement, and thromboembolic events post myocardial infarction.",CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,,Cyclizine,DB03967
4292,4292,4292,"SUVN-502 is a novel, potent, safe, highly selective and orally active antagonist at a central nervous system serotonin receptor site 5-HT6 intended for treatment of cognitive disorders such as Alzheimer’s and Schizophrenia, an unmet medical need.",COC1=CC=C2N(C=C(CN3CCN(C)CC3)C2=C1)S(=O)(=O)C1=CC=CC=C1Br,,"4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide",DB15588
4293,4293,4293,Not Available,COC1=CC=C2NC(=O)\C(=C/C3=CN=CN3)C2=C1,,Argatroban,DB05311
4294,4294,4294,Not Available,CN1N=C(C2=C1SC(=C2)C(=O)NCCS)C(F)(F)F,,Etretinate,DB07376
4295,4295,4295,Interferon alfacon-1 is a recombinant interferon similar the interferon alfa subtype which is used to treat hepatitis C infections.,,MCDLPQTHSLGNRRALILLAQMRRISPFSCLKDRHDFGFPQEEFDGNQFQKAQAISVLHEMIQQTFNLFSTKDSSAAWDESLLEKFYTELYQQLNDLEACVIQEVGVEETPLMNVDSILAVKKYFQRITLYLTEKKYSPCAWEVVRAEIMRSFSLSTNLQERLRRKE,Perindopril,DB02192
4296,4296,4296,Elotuzumab is an antineoplastic agent and SLAMF7-directed immunostimulatory antibody used for the treatment of refractory multiple myeloma in combination with other antineoplastic agents.,,EVQLVESGGGLVQPGGSLRLSCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYAPSLKDKFIISRDNAKNSLYLQMNSLRAEDTAVYYCARPDGNYWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,(Diaminomethyl-Methyl-Amino)-Acetic Acid,DB06503
4297,4297,4297,Not Available,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,,Modified Acarbose Pentasaccharide,DB02500
4298,4298,4298,Not Available,OC(=O)C(=O)CC1=CC=C(O)C=C1,,Oteseconazole,DB06931
4299,4299,4299,Not Available,[H][C@](CCCCC(O)=O)(CCSCN)SSCCO,,Didanosine,DB02305
4300,4300,4300,"Azilsartan medoxomil is an angiotensin II receptor blocker used to treat hypertension alone or in combination with other antihypertensive agents, such as chlorthalidone.",CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NOC(=O)N1)C(=CC=C2)C(=O)OCC1=C(C)OC(=O)O1,,"6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine",DB04465
4301,4301,4301,Corifollitropin alfa is a FSH analogue indicated for Controlled Ovarian Stimulation (COS) in combination with a GnRH antagonist for the development of multiple follicles in women participating in an Assisted Reproductive Technology (ART) program.,,,Halofantrine,DB01381
4302,4302,4302,Not Available,CC(C)(C)NC1=NC(=NC2=C1C=C(C=C2)C1=CC=CC(N)=C1)C(F)(F)F,,"3,4-Xylenol",DB02408
4303,4303,4303,Not Available,[H][C@](C)(C[C@]([H])(C[C@@]([H])(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O,,Clindamycin,DB01017
4304,4304,4304,Not Available,NCC1=CC=C(NC(=O)C(O)=O)C=C1,,Methantheline,DB13146
4305,4305,4305,Not Available,[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O,,"(2S,3S,4R,5S)-2-(4-Amino-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]-3,4-pyrrolidinediol",DB02545
4306,4306,4306,Not Available,ClC1=CC=C2CCCNCC2=C1Cl,,Ethinamate,DB07541
4307,4307,4307,Trifarotene is a topical retinoid indicated for the treatment of acne vulgaris.,CC(C)(C)C1=CC(=CC=C1N1CCCC1)C1=CC(=CC=C1OCCO)C1=CC=C(C=C1)C(O)=O,,Tremelimumab,DB09279
4308,4308,4308,Not Available,[H][C@@]1(CCN(CC2=CC3=C(N2)C=NC=C3)C1=O)NS(=O)(=O)C1=CC2=C(S1)C=CC=N2,,"S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE",DB01965
4309,4309,4309,Not Available,CSC1=C2C=CC=CC2=C(S1)C(=O)N1CCC2(COC3=C2C=C(CN)C=C3)CC1,,"5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide",DB04556
4310,4310,4310,Not Available,[H]N(O)C(=O)N([H])[C@@H](CC1=CC=CC=C1)C(O)=O,,(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE,DB02615
4311,4311,4311,Not Available,CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,,"2,5-O,O-BIS-{4',4''-AMIDINOPHENYL}-1,4:3,6-DIANHYDRO-D-SORBITOL",DB07785
4312,4312,4312,Gluconolactone is a polyhydroxy acid used in the dissolution of calculi and used as an additive in various drug products to maintain consistency and other characteristics.,OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O,,"2,5-Dimethoxy-4-ethylthioamphetamine",DB06354
4313,4313,4313,Not Available,[H][C@](O)(NC1=CC(=C(C=C1)C#N)C(F)(F)F)[C@@](C)(O)COC1=CC=C(C=C1)[N+]([O-])=O,,Pyrrole-2-Carboxylate,DB05190
4314,4314,4314,Not Available,CC(=O)ONC(=O)C1=C(O)C=CC=C1,,N-(2-ferrocenylethyl)maleimide,DB02522
4315,4315,4315,Nicotine is a stimulatory alkaloid found in tobacco products that is often used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation.,CN1CCC[C@H]1C1=CN=CC=C1,,Trimethyllysine,DB08219
4316,4316,4316,Not Available,[H][C@](N)(CC1=CC=C(CC(F)(F)F)C=C1)C(O)=O,,Besifovir dipivoxil,DB01625
4317,4317,4317,Not Available,CC1=C(CCNC(=O)C2=CC=CS2)C2=CC=CC=C2N1,,N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DB08460
4318,4318,4318,Amiodarone is a class III antiarrhythmic indicated for the treatment of recurrent hemodynamically unstable ventricular tachycardia and recurrent ventricular fibrillation.,CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2,,"N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-ISOLEUCINE",DB07371
4319,4319,4319,Not Available,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=C(OC)C=C1)C(=O)NC,,beta-D-glucuronic acid,DB02586
4320,4320,4320,Not Available,NNC(=O)C1=C(C2=C(N1)C=CC(=C2)S(N)(=O)=O)C1=CC=CC=C1,,Methoxyphenamine,DB00922
4321,4321,4321,Not Available,[H][P@@](=O)(CCCCCCCCCCC)OCCCC,,Tafluprost,DB06282
4322,4322,4322,Indapamide is a thiazide diuretic used to treat hypertension as well as edema due to congestive heart failure.,CC1CC2=CC=CC=C2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,,Dronedarone,DB02593
4323,4323,4323,Not Available,[H][C@@](CC)(CCCC)COS(O)(=O)=O,,(S)-tacrine(10)-hupyridone,DB02996
4324,4324,4324,Not Available,OC(=O)C1=C(C=CS1)S(=O)(=O)NC1=CC=C(Cl)C=C1,,1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide,DB07563
4325,4325,4325,Not Available,CC1=NC2=NC=NN2C(NC2=CC3=CC4=CC=CC=C4C=C3C=C2)=C1,,Glutamic acid,DB13144
4326,4326,4326,"Conjugated estrogens is a mixture of estrogens used in estrogen replacement therapy for menopause and hypoestrogenism, used in the treatment of various malignancies, and used in the treatment of postmenopausal osteoporosis.",,,"4-(1,3,2-Dioxaborolan-2-Yloxy)Butan-1-Aminium",DB06904
4327,4327,4327,Lixisenatide is a GLP-1 receptor agonist used for the management of type 2 diabetes mellitus.,,HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPSKKKKKK,Cytidine 5'-diphosphoglycerol,DB03225
4328,4328,4328,"Aripiprazole is an atypical antipsychotic used in the treatment of a wide variety of mood and psychotic disorders, such as schizophrenia, bipolar I, major depressive disorder, irritability associated with autism, and Tourette's syndrome.",ClC1=CC=CC(N2CCN(CCCCOC3=CC4=C(CCC(=O)N4)C=C3)CC2)=C1Cl,,3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID,DB04417
4329,4329,4329,Not Available,NCCNS(=O)(=O)C1=CC=C(Cl)C2=C1C=NC=C2,,Mupirocin,DB09040
4330,4330,4330,Not Available,[H][C@](N)(CC1=CC=C(O)C=C1)C(N)=O,,CRA_17693,DB00432
4331,4331,4331,Not Available,[H][C@@](O)(COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1,,Flunitrazepam,DB02588
4332,4332,4332,Not Available,O.O.[Ca++].OP([O-])([O-])=O,,Selinexor,DB06833
4333,4333,4333,"Calcium chloride is an ionic compound used for the treatment of hypocalcemia and hyperkalemia, and as an antidote to magnesium intoxication due to overdosage of magnesium sulfate.",[Cl-].[Cl-].[Ca++],,Levonorgestrel,DB03143
4334,4334,4334,"Homatropine methylbromide is a muscarinic receptor antagonist used to treat peptic ulcers, gastric ulcers, and duodenal ulcers.",[Br-].C[N+]1(C)C2CCC1CC(C2)OC(=O)C(O)C1=CC=CC=C1,,Valaciclovir,DB16385
4335,4335,4335,Olaratumab is a platelet-derived growth factor receptor alpha blocking antibody used with doxorubicin to treat patients with certain types of soft tissue sarcoma (STS).,,QLQLQESGPGLVKPSETLSLTCTVSGGSINSSSYYWGWLRQSPGKGLEWIGSFFYTGSTYYNPSLRSRLTISVDTSKNQFSLMLSSVTAADTAVYYCARQSTYYYGSGNYYGWFDRWDQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Pozelimab,DB07260
4336,4336,4336,Folic acid is a nutrient used to treat megaloblastic anemia and is found in many supplements.,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1,,"(2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidine",DB00575
4337,4337,4337,Not Available,CCCCCCCCCCCCSC1=C(N=NN1)C(O)=O,,CR002,DB04901
4338,4338,4338,"Benserazide is a medication used to treat Parkinson's disease, parkinsonism, and restless leg syndrome.",NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1,,Xylarohydroxamate,DB14072
4339,4339,4339,"Acetazolamide is a carbonic anhydrase inhibitor used to treat edema from heart failure or medications, certain types of epilepsy, and glaucoma.",CC(=O)NC1=NN=C(S1)S(N)(=O)=O,,Belinostat,DB14539
4340,4340,4340,Not Available,[H][C@]1(O)C[C@]([H])(O[C@]2([H])[C@]([H])(C)O[C@]([H])(C[C@]2([H])N(C)C)O[C@@]2([H])C[C@](O)(CC)[C@]([H])(O)C3=C2C(O)=C2C(=O)C4=C(C=CC=C4O)C(=O)C2=C3)O[C@@]([H])(C)[C@]1([H])O[C@@]1([H])CCC(=O)[C@@]([H])(C)O1,,Chlorothiazide,DB05243
4341,4341,4341,Not Available,[H][C@@](CCC(O)=O)(C[P@](O)(=O)CC1=CC=C(I)C=C1)C(O)=O,,Roxadustat,DB07400
4342,4342,4342,Not Available,[H]N([H])[C@@H](C[C@@H](F)CC\N=C(/C)N([H])[H])C(O)=O,,Pafolacianine,DB01247
4343,4343,4343,Lefradafiban is an oral platelet glycoprotein IIb/IIIa receptor antagonist being investigated in the treatment of angina.,[H][C@@]1(COC2=CC=C(C=C2)C2=CC=C(C=C2)C(=N)NC(=O)OC)C[C@@H](CC(=O)OC)C(=O)N1,,"(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL",DB01828
4344,4344,4344,"Extracted from the dried leaves of bearberry plant in the genus Arctostaphylos and other plants commonly in the Ericaceae family, arbutin is a beta-D-glucopyranoside of Hydroquinone. It is found in foods, over-the-counter drugs, and herbal dietary supplements 6. Most commonly, it is an active ingredient in skincare and cosmetic products as a skin-lightening agent for the prevention of melanin formation in various skin conditions that involve cutaneous hyperpigmentation or hyperactive melanocyte function 1. It has also been used as an anti-infective for the urinary system as well as a diuretic 6. Arbutin is available in both natural and synthetic forms; it can be synthesized from acetobromglucose and Hydroquinone 6. Arbutin is a competitive inhibitor of tyrosinase (E.C.1.14.18.1) in melanocytes 1, and the inhibition of melanin synthesis at non-toxic concentrations was observed in vitro. Arbutin was shown to be less cytotoxic to melanocytes in culture compared to Hydroquinone 5.",OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,,"4-Acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid",DB08266
4345,4345,4345,"Nitazoxanide is a thiazolide anti-infective used to treat infections by protozoa, helminths, anaerobic bacteria, microaerophilic bacteria, and viruses.",CC(=O)OC1=CC=CC=C1C(=O)NC1=NC=C(S1)[N+]([O-])=O,,Allosamizoline,DB00767
4346,4346,4346,Sodium oxybate is a central nervous system depressant used to treat cataplexy and excessive daytime sleepiness (EDS) associated with narcolepsy.,[Na+].OCCCC([O-])=O,,N-Hydroxy-4-(Methyl{[5-(2-Pyridinyl)-2-Thienyl]Sulfonyl}Amino)Benzamide,DB08217
4347,4347,4347,"Aranidipine is a novel dihydropyridine derivative that gives rise to two active metabolites (M-1α and M-1β) that exhibit hypotensive activity. It is a calcium antagonist with the formula methyl 2-oxopropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate.1 It was developed by Maruko Seiyaku, introduced by Taiho and launched in Japan in 1997.5",COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)=O,,"(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE",DB02318
4348,4348,4348,Lepirudin is a protein-based direct thrombin inhibitor used as an anticoagulant in patients with heparin-induced thrombocytopenia.,,LTYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ,1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA,DB11113
4349,4349,4349,Not Available,OC(=O)CC1=C(O)C2=C(C=C1)C(=O)C1=C(C(O)=CC=C1)C2=O,,"(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE",DB04511
4350,4350,4350,Dasabuvir is a direct-acting antiviral agent used to treat specific hepatitis C virus (HCV) infections in combination with other antiviral agents.,COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C,,"3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole",DB05223
4351,4351,4351,"Guanosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes.",NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]2O)C(=O)N1,,Human interferon beta,DB01429
4352,4352,4352,Not Available,[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP(O)(O)=O)N1C=NC2=C1N=CN=C2NC(=O)NCC)\C=C\C1=CC=CC=C1,,Coenzyme A,DB08499
4353,4353,4353,Not Available,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,,MEDI0680,DB07640
4354,4354,4354,Not Available,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#CC,,Benzylpenicillin,DB08750
4355,4355,4355,Not Available,NCCCC1=CC=CC=C1,,"4,5-Dehydro-L-Iduronic Acid",DB07618
4356,4356,4356,Not Available,[H]N1C(=O)\C(C2=C1C=CC(Br)=C2)=C1/N([H])C2=CC=CC=C2C1=O,,Cefprozil,DB00606
4357,4357,4357,Not Available,OC(=O)[C@@H]1CC(=O)NC(=O)N1,,Aurodox,DB16407
4358,4358,4358,"Bufuralol is a new, non-selective -adrenoceptor blocking agent.",CCC1=CC=CC2=C1OC(=C2)C(O)CNC(C)(C)C,,Acetylcholine,DB00337
4359,4359,4359,"Romosozumab is a monoclonal antibody used to treat osteoporosis in postmenopausal women at high risk of fracture, patients who are intolerant of other treatments, or patients who have failed other treatments.",,,Imdevimab,DB11740
4360,4360,4360,Not Available,NC(=N)C1=CC=C(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)C=C1,,4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL,DB08487
4361,4361,4361,"Selective inhibitor of SIRT1 that does not inhibit histone deacetylase (HDAC) or other sirtuin deacetylase family members (IC50 values are 98, 19600, 48700, > 100000 and > 100000 nM for SIRT1, SIRT2, SIRT3, HDAC and NADase respectively). Enhances p53 acetylation in response to DNA damaging agents.",NC(=O)C1CCCC2=C1NC1=C2C=C(Cl)C=C1,,Sodium sulfate,DB06800
4362,4362,4362,Not Available,CC1=NC=C(COP(O)(O)=O)C(CNC2(CC2)C(O)=O)=C1O,,alpha-D-Fucopyranose,DB07493
4363,4363,4363,Phenylalanine is an amino acid commonly found as a component of total parenteral nutrition.,N[C@@H](CC1=CC=CC=C1)C(O)=O,,Mercaptoethanol,DB00405
4364,4364,4364,Not Available,I[Hg]I,,"5-[(3S)-3-(2-methoxybiphenyl-4-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DB07135
4365,4365,4365,Sarilumab is a monoclonal antibody used to treat moderate to severe rheumatoid arthritis who have responded poorly or are intolerant of other DMARDs.,,EVQLVESGGGLVQPGRSLRLSCAASRFTFDDYAMHWVRQAPGKGLEWVSGISWNSGRIGYADSVKGRFTISRDNAENSLFLQMNGLRAEDTALYYCAKGRDSFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Piritrexim,DB02934
4366,4366,4366,Profenamine is an antidyskinetic phenothiazine used to treat the symptoms of Parkinson's disease.,CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12,,"2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DB01070
4367,4367,4367,Vadadustat is an oral hypoxia-inducible factor prolyl-hydroxylase inhibitor used to treat symptomatic anemia associated with chronic kidney disease in adults on chronic maintenance dialysis.,OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1,,UDP-alpha-D-glucuronic acid,DB06636
4368,4368,4368,Not Available,CN1N=C(C)C2=C1N(O)C1=C(C=C(Cl)C=C1)C2=O,,"3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER",DB13923
4369,4369,4369,"Promethazine is a first-generation antihistamine used for the treatment of allergic conditions, nausea and vomiting, and motion sickness.",CC(CN1C2=CC=CC=C2SC2=CC=CC=C12)N(C)C,,Ridaforolimus,DB06159
4370,4370,4370,Erythromycin is a macrolide antibiotic used to treat and prevent a variety of bacterial infections.,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,,2-{5-[3-(7-PROPYL-3-TRIFLUOROMETHYLBENZO[D]ISOXAZOL-6-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID,DB02805
4371,4371,4371,Copper oxodotreotide Cu-64 is a Cu labeled somatostatin analog used in positron emission tomography to detect certain types of neuroendocrine tumors.,[64Cu++].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,,Darolutamide,DB07231
4372,4372,4372,Not Available,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC=C(Br)C=C1,,A-674563,DB02446
4373,4373,4373,Not Available,[H]\C(NC1=CC=C(C=C1)S(=O)(=O)NC)=C1\C(=O)NC2=CC=CC=C12,,Pralsetinib,DB06237
4374,4374,4374,"Chymopapain was first isolated in 1941 from the crude latex derived from the fruit of Carica papaya by squeezing the green papaya while on the plant prior to harvest.6It is an extracellular plant cysteine proteinase similar to papain in specificity.2 Chymopapain was developed by Chart Medcl and FDA approved on November 10, 1982. It is currently discontinued.8",,MATMSSISKIIFLATCLIIHMGLSSADFYTVGYSQDDLTSIERLIQLFDSWMLKHNKIYESIDEKIYRFEIFRDNLMYIDETNKKNNSYWLGLNGFADLSNDEFKKKYVGFVAEDFTGLEHFDNEDFTYKHVTNYPQSIDWRAKGAVTPVKNQGACGSCWAFSTIATVEGINKIVTGNLLELSEQELVDCDKHSYGCKGGYQTTSLQYVANNGVHTSKVYPYQAKQYKCRATDKPGPKVKITGYKRVPSNCETSFLGALANQPLSVLVEAGGKPFQLYKSGVFDGPCGTKLDHAVTAVGYGTSDGKNYIIIKNSWGPNWGEKGYMRLKRQSGNSQGTCGVYKSSYYPFKGFA,Heptamolybdate,DB01296
4375,4375,4375,A phosphodiesterase inhibitor with antidepressant properties. [PubChem],[H][C@@]1(CNC(=O)C1)C1=CC=C(OC)C(OC2CCCC2)=C1,,"4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID",DB06243
4376,4376,4376,"ISIS 113715 is our second-generation antisense inhibitor of protein tyrosine phosphatase 1b, or PTP‑1b, for the treatment of type 2 diabetes. In early trials, ISIS 113715 induced statistically significant improvements in multiple measures of glucose control along with statistically significant
reductions in LDL-cholesterol.",,,"3-methyl-benzene-1,2-diol",DB07113
4377,4377,4377,Not Available,[H][C@@]1(CC(N)=O)CCCC2=C1C1=C(S2)N=C(NC1=O)C(=O)NCC1=CC=C2OCC(=O)NC2=C1,,Trovafloxacin,DB01860
4378,4378,4378,Balicatib has been used in trials studying the treatment of Osteoporosis and Knee Osteoarthritis.,CCCN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1(CCCCC1)C(=O)NCC#N,,Tebentafusp,DB13954
4379,4379,4379,"Sotorasib is an experimental KRAS inhibitor being investigated for the treatment of KRAS G12C mutant non small cell lung cancer, colorectal cancer, and appendix cancer.",CC(C)C1=NC=CC(C)=C1N1C(=O)N=C(N2CCN(C[C@@H]2C)C(=O)C=C)C2=CC(F)=C(N=C12)C1=C(O)C=CC=C1F,,Amcinonide,DB00790
4380,4380,4380,Pyridoxine is a vitamin used to correct vitamin B6 deficiency and to treat nausea during pregnancy.,CC1=C(O)C(CO)=C(CO)C=N1,,"1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DB03333
4381,4381,4381,"Epratuzumab is a humanized monoclonal antibody derived from the murine IG2a monoclonal antibody, LL2 (EPB-2). This agent may subsequently be well matched for use in oncology and the treatment of inflammatory autoimmune disorders, such as lupus.",,,N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine,DB08918
4382,4382,4382,Not Available,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C(=O)NC1=C(F)C=C(C=C1)C(O)=O,,"[(3R)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",DB01937
4383,4383,4383,Not Available,NC1=CC=C(CCC(O)=O)C=C1,,Tridihexethyl,DB00604
4384,4384,4384,Not Available,CC1=CC=CC2=C1CCNC2=O,,[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-ACETIC ACID,DB08689
4385,4385,4385,Not Available,[H][C@@]1(C)CNC2=C(SC3=C2C2=C(C=C3)N=C(C=C2)C2=CN=C(C)C=C2)C(=O)N1,,CX-717,DB03614
4386,4386,4386,Not Available,[H][C@@](CC1=CC=CC=C1)(C[N+]([O-])=O)C(O)=O,,"4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL",DB04258
4387,4387,4387,RDEA806 is a new HIV non-nucleoside reverse transcriptase inhibitor (NNRTI) with a high genetic barrier to resistance and a broad spectrum of activity.,,,Zopolrestat,DB02585
4388,4388,4388,Isotretinoin is a retinoid used to treat severe recalcitrant acne.,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O,,(3-Formyl-but-3-Enyl)-Phosphonic Acid,DB11842
4389,4389,4389,Efzofitimod (ATYR1923) is a fusion protein comprised of the immuno-modulatory domain of histidyl tRNA synthetase fused to the FC region of a human antibody. It is a selective modulator of neuropilin-2 that downregulates the innate and adaptive immune response in inflammatory disease states.,,,N-Propyl Isocyanide,DB11638
4390,4390,4390,Not Available,O.O.[Cu+4].[N-]1C=CN=C1.[N-]1C=CN=C1.[N-]1C=CN=C1.[N-]1C=CN=C1,,5-Imino-4-(2-trifluoromethyl-phenylazo)-5H-pyrazol-3-ylamine,DB12177
4391,4391,4391,"LI 301 is an orally bio-available compound delivered in a fast melt mechanism with taste masking enabling it to be taken anytime without water. It has a novel mode of action combining both the light effect of a Selective Serotonin Reuptake Inhibitor (""SSRI"")(most likely antagonistic at 5HT1a receptors) and antagonism at mu-opioid receptors. This results in a slight dulling of sensation that can be used to treat premature ejaculation without interfering with normal sexual pleasure or orgasm.",,,Bremelanotide,DB08807
4392,4392,4392,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,,7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID,DB03938
4393,4393,4393,"Dihydrexidine has been used in trials studying the treatment of SPD, Cocaine-Related Disorders, and Schizotypal Personality Disorder.",OC1=C(O)C=C2[C@H]3[C@H](CCC2=C1)NCC1=CC=CC=C31,,"(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide",DB06719
4394,4394,4394,Not Available,CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2,,2'-Deoxycytidine-5'-Monophosphate,DB13884
4395,4395,4395,Not Available,CC(CCC1=CC=C(O)C=C1)NCC(O)C1=CC=C(O)C=C1,,Empagliflozin,DB02610
4396,4396,4396,Not Available,CCN(CC)S(=O)(=O)C1=CC(=CC=C1Br)C(=O)NC1=CC=CC=C1C(O)=O,,Prednisolone phosphate,DB13979
4397,4397,4397,Not Available,C1CCC(CC1)NC1=NC(NC2=CC=C(C=C2)N2CCOCC2)=NC2=C1N=CN2,,Brexanolone,DB08033
4398,4398,4398,Bupivacaine is a local anesthetic used in a wide variety of superficial and invasive procedures.,CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,,Uridine-Diphosphate-N-Acetylgalactosamine,DB00438
4399,4399,4399,Not Available,CC1=CC=C(CNS(=O)(=O)C2=CC=C(S2)S(N)(=O)=O)C=C1,,Trimethaphan,DB08284
4400,4400,4400,"Adinazolam (Deracyn®) is a benzodiazepine derivative with anxiolytic, anticonvulsant, sedative, and antidepressant properties. Adinazolam was first developed to enhance the antidepressant effects of alprazolam. It has never been approved by the FDA for clinical use.",CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12,,MK-4965,DB07200
4401,4401,4401,Sparsentan is an endothelin and angiotensin II receptor antagonist indicated to reduce proteinuria in adults with primary immunoglobulin A nephropathy at risk of rapid disease progression.,CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C,,Methylphenidate,DB07714
4402,4402,4402,Not Available,ON=C1C2=CC(OCC(O)=O)=CC=C2C2=C1C=C(OCC(O)=O)C=C2,,Tyvelose,DB07316
4403,4403,4403,Not Available,[H][C@@]1(CC2=C(C=CC=C2)N(CC(=O)NCCO)C1=O)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,,Butylphosphonate,DB08241
4404,4404,4404,Not Available,[H][C@@](N)(CC=O)C(O)=O,,5-(2-NITROPHENYL)-2-FUROIC ACID,DB07134
4405,4405,4405,Not Available,C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,,Guanosine-5'-Diphosphate-Rhamnose,DB06050
4406,4406,4406,Not Available,[H][C@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,,Maraviroc,DB04892
4407,4407,4407,"Doxacurium chloride is a nondepolarizing neuromuscular blocking agent used as an adjunct to general anesthesia to facilitate tracheal intubation, and to provide skeletal muscle relaxation during surgical procedures.",COC1=CC(CC2C3=C(OC)C(OC)=C(OC)C=C3CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCC3=CC(OC)=C(OC)C(OC)=C3C2CC2=CC(OC)=C(OC)C(OC)=C2)=CC(OC)=C1OC,,N~2~-Succinylornithine,DB08094
4408,4408,4408,Lopinavir is an HIV-1 protease inhibitor used in combination with ritonavir to treat human immunodeficiency virus (HIV) infection.,CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1,,Felbinac,DB03935
4409,4409,4409,Not Available,CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O,,Sulodexide,DB03556
4410,4410,4410,"GTS-21 (also known as DMBX-A), is a novel, small-molecule, orally active and selective alpha-7 nicotinic acetylcholine (nACh) receptor agonist that has demonstrated memory and cognition enhancement activity in human clinical trials. Athenagen licensed the exclusive rights to the compound and a related library of analogs as part of the acquisition of Osprey Pharmaceutical Company in April 2006. GTS-21 has been studied in multiple Phase I studies in healthy volunteers and one Phase I/II study in schizophrenic patients. In all studies, the compound was well tolerated. In a Phase I multi-dose, double-blind, placebo controlled study in healthy adults, GTS-21 also demonstrated cognitive enhancement across all doses, with a statistically significant improvement in attention related and memory related tasks (Kitagawa, et al. Neuropsychopharmacology (2003), 28, 542-551).",[H]\C(=C1\CCCN=C1C1=CN=CC=C1)C1=C(OC)C=C(OC)C=C1,,D-Cysteine,DB07489
4411,4411,4411,Not Available,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O,,Metaraminol,DB03574
4412,4412,4412,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=NC3=C(N2)C=C(C)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Ncs-Chromophore,DB09069
4413,4413,4413,"Domperidone is a dopamine receptor antagonist used as a peristaltic stimulant and anti-emetic agent for dyspepsia, indigestion, epigastric pain, nausea, and vomiting.",ClC1=CC2=C(C=C1)N(C1CCN(CCCN3C(=O)NC4=CC=CC=C34)CC1)C(=O)N2,,"5,10-Dimethylene Tetrahydromethanopterin",DB09342
4414,4414,4414,Not Available,[K+].[K+].[K+].[O-]P([O-])(=O)[C@@H](CCCC1=CC=C(C=C1)C1=CC=CC=C1)S([O-])(=O)=O,,Opicapone,DB04623
4415,4415,4415,Dotarizine is a calcium antagonist used to treat and prevent migraines.,C(CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1)CC1(OCCO1)C1=CC=CC=C1,,Phendimetrazine,DB03382
4416,4416,4416,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@]4([H])OC5(O[C@@]34[H])C(=CC(C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O)C2=NC=N1,,Relacatib,DB08580
4417,4417,4417,"Latrunculin B is a 14-membered macrolide attached to 2-thiazolidinone moiety, isolated from Red Sea sponge Latrunculia magnifica.",[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/CC\C(C)=C/C(=O)O2)O1,,"4,4'-Biphenyldiboronic Acid",DB02255
4418,4418,4418,Not Available,[H][C@](N)(CSCCCCCCCCC)C(O)=O,,Choline,DB03919
4419,4419,4419,ABT-341 is a potent and selective DPP-4 inhibitor with a structure very similar to sitagliptin (in 2D; the 3D structure is significantly different). 1,[H][C@]1(N)CC(=CC[C@]1([H])C1=CC(F)=C(F)C=C1F)C(=O)N1CCN2C(C1)=NN=C2C(F)(F)F,,Mirabegron,DB06957
4420,4420,4420,"Phenelzine is a monoamine oxidase inhibitor used to treat atypical, nonendogenous, or neurotic depression.",NNCCC1=CC=CC=C1,,Curcumin,DB02331
4421,4421,4421,Not Available,COC1=CC=CC(OC)=C1C1=CC2=CN=C(N)N=C2N=C1N,,(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol,DB07666
4422,4422,4422,Not Available,CCCCCCCCC1=CC=C2C=C3C=CC(CCCCC(O)=O)=[N+]3[B-](F)(F)N12,,(S)-4-bromo-3-hydroxy-3-methylbutyl diphosphate,DB08554
4423,4423,4423,Miglitol is an oral alpha-glucosidase inhibitor used to improve glycemic control by delaying the digestion of carbohydrates.,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,,Ropeginterferon alfa-2b,DB02755
4424,4424,4424,Not Available,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)P(O)(O)=O,,Somapacitan,DB05032
4425,4425,4425,Not Available,OC1=CC=C(CC2=NN=C3C=CC(=NN23)C2=CC=CC=C2)C=C1,,[(4-{4-[4-(Difluoro-Phosphono-Methyl)-Phenyl]-Butyl}-Phenyl)-Difluoro-Methyl]-Phosphonic Acid,DB03989
4426,4426,4426,Not Available,[H]C1(CCC(CC1)=C1C(O)=C(O)C2=CC=CC=C2C1=O)C1=CC=C(Cl)C=C1,,Efonidipine,DB03680
4427,4427,4427,Not Available,CN1C2=C(NC(=N)N2)C(=O)N(C)C1=O,,"10-formyl-5,8,10-trideazafolic acid",DB03756
4428,4428,4428,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]3([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]3([H])O)[C@]2([H])O)[C@]1([H])O,,Sotalol,DB07202
4429,4429,4429,Volinanserin is under investigation in clinical trial NCT00464243 (Efficacy and Safety of Volinanserin on Sleep Maintenance Insomnia - Polysomnographic Study).,COC1=C(OC)C(=CC=C1)[C@H](O)C1CCN(CCC2=CC=C(F)C=C2)CC1,,Nafarelin,DB02548
4430,4430,4430,Not Available,[OH2+][Cu-4]([OH2+])([N]1=CNC=C1)([N+]1=CNC=C1)([N+]1=CNC=C1)[N+]1=CNC=C1,,Manidipine,DB01973
4431,4431,4431,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,,Tivantinib,DB07040
4432,4432,4432,Not Available,[H][C@](CC(C)C)(N(O)C(C)=O)C(=O)OC,,1-deoxymannojirimycin,DB15628
4433,4433,4433,Not Available,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,,"(3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one",DB01858
4434,4434,4434,Not Available,CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O,,Methylphosphinate,DB07476
4435,4435,4435,Not Available,CC1=NC(C)=C(S1)C1=NC(\N=C\NO)=NC=C1,,Cilazapril,DB07947
4436,4436,4436,Not Available,OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,,Lesopitron,DB07368
4437,4437,4437,,CCO,,RU85493,DB09074
4438,4438,4438,Vanucizumab has been used in trials studying the treatment of ColoRectal Cancer and Advanced/Metastatic Solid Tumors.,,,Malonaldehyde,DB03326
4439,4439,4439,Not Available,CCC1=CC(CCN)=CC=C1O,,Vernakalant,DB08267
4440,4440,4440,Not Available,CC1=NC(=NN1C1=CC(Cl)=CC(Cl)=C1)C(O)=O,,"N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE",DB03381
4441,4441,4441,Nitrous acid is an iron binder used to reverse life-threatening acute cyanide poisoning.,ON=O,,Plinabulin,DB08360
4442,4442,4442,Not Available,OC(=O)C1=C(NC(=O)COC2=CC=C(Cl)C=C2)C=CC=C1,,Pembrolizumab,DB16515
4443,4443,4443,Not Available,ONC(=O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O,,Haloxyfop-P,DB08203
4444,4444,4444,Carfilzomib is a proteasome inhibitor used either alone or in conjunction with a chemotherapy regimen to treat patients with relapsed or refractory multiple myeloma.,CC(C)C[C@H](NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,,"1,3,4,9-Tetrahydro-2-(Hydroxybenzoyl)-9-[(4-Hydroxyphenyl)Methyl]-6-Methoxy-2h-Pyrido[3,4-B]Indole",DB04285
4445,4445,4445,Not Available,OC(CC1=CC(=CC=C1)C1=CC=CC2=C1OC1=C2C=CC=C1)(P(O)(O)=O)P(O)(O)=O,,Satralizumab,DB07596
4446,4446,4446,Lidocaine is a local anesthetic used in a wide variety of superficial and invasive procedures.,CCN(CC)CC(=O)NC1=C(C)C=CC=C1C,,Thymine,DB06401
4447,4447,4447,Formoterol is an inhaled long-acting beta2-adrenergic receptor agonist used as a bronchodilator in the management of asthma and COPD.,COC1=CC=C(CC(C)NCC(O)C2=CC(NC=O)=C(O)C=C2)C=C1,,"4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DB07520
4448,4448,4448,Bamlanivimab is a neutralizing human IgG1κ monoclonal antibody against the SARS-CoV-2 spike (S) protein for use in patients aged 12 and over at high risk of developing severe COVID-19.,,,Depatuxizumab mafodotin,DB02705
4449,4449,4449,Urea C-14 is a diagnostic agent used for the detection of urease associated with Helicobacter pylori in the human stomach and initial diagnosis or post-treatment monitoring of Helicobacter pylori infection in adults.,N[14C](N)=O,,Cinalukast,DB04790
4450,4450,4450,Not Available,[H][C@@](CC1=CC=CC=C1)(C[P@](O)(=O)[C@]([H])(N)CCC1=CC=CC=C1)C(O)=O,,"N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE",DB03516
4451,4451,4451,Desonide is a topical corticosteroid used for the symptomatic treatment of inflammatory and pruritic manifestations of corticosteroid responsive dermatoses.,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,N-Succinyl Methionine,DB07982
4452,4452,4452,Dtp348 has been used in trials studying the treatment of Solid Tumors and Head and Neck Neoplasms.,CC1=NC=C(N1CCNS(N)(=O)=O)N(=O)=O,,Halofuginone,DB02919
4453,4453,4453,"Phenethyl Isothiocyanate has been used in trials studying the prevention and treatment of Leukemia, Lung Cancer, Tobacco Use Disorder, and Lymphoproliferative Disorders.",S=C=NCCC1=CC=CC=C1,,Liposomal prostaglandin E1,DB07795
4454,4454,4454,Not Available,CC1=C(CCOP([O-])([O-])=O)SC=[N+]1CC1=CN=C(N=C1N)C(F)(F)F,,4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide,DB08520
4455,4455,4455,Not Available,OCCS,,Zinc protoporphyrin,DB03708
4456,4456,4456,Not Available,CCCCOC1=NC(NCCN2CCOCC2)=C2N=CN(CC3=C(F)C=CC=C3F)C2=N1,,N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE,DB00912
4457,4457,4457,Not Available,CN1CCN(C)C2=CC(CN)=CC=C12,,2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide,DB08299
4458,4458,4458,Cephalexin is a first generation cephalosporin used to treat certain susceptible bacterial infections.,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,,CoA-S-acetyl 5-bromotryptamine,DB08109
4459,4459,4459,Not Available,CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O,,Lauryl alcohol diphosphonic acid,DB04439
4460,4460,4460,Not Available,[H][C@]1(CCCN1C(=O)CNC1CCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Ceftibuten,DB05154
4461,4461,4461,OTX008 has been used in trials studying the treatment of Solid Tumors.,CN(C)CCNC(=O)COC1=C2CC3=CC=CC(CC4=CC=CC(CC5=C(OCC(=O)NCCN(C)C)C(CC1=CC=C2)=CC=C5)=C4OCC(=O)NCCN(C)C)=C3OCC(=O)NCCN(C)C,,"1-[(3S)-5-PHENYL-3-THIOPHEN-2-YL-3H-1,4-BENZODIAZEPIN-2-YL]AZETIDIN-3-OL",DB03455
4462,4462,4462,"Midazolam is a short-acting benzodiazepine with rapid onset that is commonly used in seizures, anesthesia and anxiety disorders.",CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12,,Tarenflurbil,DB01278
4463,4463,4463,Not Available,[H]N(C1=CC=C(OC[C@@H](O)CN(C)C)C=C1)C1=NC=C(Br)C(=N1)N([H])C1=CC=CC=C1,,Nonivamide,DB09211
4464,4464,4464,Not Available,[H]N([H])[C@@H](C)C(=O)N([H])S(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N=CN=C12)N([H])[H],,Lasofoxifene,DB08246
4465,4465,4465,Drospirenone is a progestin used in oral contraceptive pills for the prevention of pregnancy and other conditions.,[H][C@@]12C[C@]1([H])[C@@]1([H])[C@]3([H])[C@]4([H])C[C@]4([H])[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@]1([H])[C@@]1(C)CCC(=O)C=C21,,"3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo[1,2-B]Pyrazole",DB04017
4466,4466,4466,Not Available,COC1=CC=CC(=C1)C1=CC(CCC2=CC=CC(N)=N2)=CC=C1,,Efaproxiral,DB02014
4467,4467,4467,"Selumetinib is a MEK 1/2 inhibitor used in pediatric patients to treat neurofibromatosis type 1 (NF1) accompanied by symptomatic, inoperable plexiform neurofibromas (PN).",CN1C=NC2=C(F)C(NC3=C(Cl)C=C(Br)C=C3)=C(C=C12)C(=O)NOCCO,,"2-(Oxalyl-Amino)-4,5,6,7-Tetrahydro-Thieno[2,3-C]Pyridine-3-Carboxylic Acid",DB02026
4468,4468,4468,"CDP323 is an antagonist of the vascular cell adhesion molecule 1 (VCAM-1) binding to alpha4-integrins (other adhesion molecules), a process thought to be implicated in the pathophysiology of Multiple Sclerosis (MS). It is considered a small-molecule prodrug. CDP323 was originally developed by the British biopharmaceutical company Celltech plc. (now UCB S.A.) and is a putative new drug for oral treatment of multiple sclerosis.",,,Vilazodone,DB07292
4469,4469,4469,"Denufosol was an inhaled drug used for the treatment of cystic fibrosis (CF), showing various improvements in lung function during a phase III clinical trial. A new drug application (NDA) was filed with the FDA in 2011, however, the second phase III clinical trial showed a lack of improvement in lung function for cystic fibrosis patients taking denufosol. The drug was also evaluated in the treatment of retinal detachment and other diseases of the retina. Denufosol has not gained FDA approval, and clinical trials with this drug have ceased since 2011.",[H]N([H])C1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O1,,Interferon gamma-1b,DB09324
4470,4470,4470,Fluvoxamine is a selective serotonin-reuptake inhibitor used to treat obsessive-compulsive disorder.,COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F,,"(1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE",DB08364
4471,4471,4471,"Allosamidin exhibits extremely potent inhibitory activity against chitinases from a number of sources, particularly from Candida albicans, and can be utilized as potent antifungal agent.",CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1,,Atpenin A5,DB07521
4472,4472,4472,Not Available,C[Si](C)(C)C(CC(O)=O)C(O)=O,,BPH-608,DB09422
4473,4473,4473,,OC(=O)CCC(O)=O,,"6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide",DB02656
4474,4474,4474,"An ester of glucose with phosphoric acid, made in the course of glucose metabolism by mammalian and other cells. It is a normal constituent of resting muscle and probably is in constant equilibrium with fructose-6-phosphate. (Stedman, 26th ed)",[H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,,2'-Deoxyguanosine-5'-Monophosphate,DB02294
4475,4475,4475,Not Available,CC(=O)NC1=C(O)C=C(C=C1[N+]([O-])=O)C(O)=O,,"5-hydroxymethyl-5,6-dihydrofolic acid",DB07177
4476,4476,4476,"PLN-74809 is a small-molecule that dually inhibits both αvβ6 and αvβ1 to treat both idiopathic pulmonary fibrosis (IPF) and primary sclerosing cholangitis (PSC)2. The compound was granted orphan drug designation by the US FDA in August 2018 for treatment of IPF, and Pliant Therapeutics recently raised $100 million in Series C financing to support further clinical development of this compound5. Phase 2a studies are currently evaluating PLN-74809 safety and efficacy for participants with IPF (NCT04396756)across 10 participating countries4, and for participants with PSC (NCT04480840). In addition, the compound is also currently in Phase 2a trials (NCT04565249) for the treatment of COVID-19 related acute respiratory distress syndrome6.",,,Aminoglutethimide,DB02543
4477,4477,4477,Not Available,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2NC(N)=NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O,,Bexagliflozin,DB05367
4478,4478,4478,Not Available,CC(=O)OP(O)(O)=O,,Lucanthone,DB00366
4479,4479,4479,Not Available,CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCC[NH+]=C(N)N,,Indole-3-Propanol Phosphate,DB04133
4480,4480,4480,Not Available,CC(C)=CCO[P@](O)(=O)OP(O)(O)=O,,L-756423,DB04754
4481,4481,4481,DDP733 is an oral prokinetic drug which Dynogen is developing as a treatment for both Irritable Bowel Syndrome with constipation (IBS-c) and nocturnal gastroesophageal reflux disease (NGERD). It is a partial agonist of the serotonin type 3 receptor (5-HT3). Serotonin is a neurotransmitter that is known to be involved in the control of the gastrointestinal (GI) system. Preclinical studies of DDP733 established the compound’s prokinetic properties (the ability to promote the motility of the GI tract).,,,5-phenyl-2-keto-valeric acid,DB01016
4482,4482,4482,"7,8-Dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-Dihydrobiopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.",C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O,,Thrombomodulin Alfa,DB03773
4483,4483,4483,"Apatorsen is a second generation antisense drug which in preclinical experiments, inhibits production of Heat Shock Protein 27 (Hsp27) a cell survival protein found at elevated levels in many human cancers including prostate, lung, breast, ovarian, bladder, renal, pancreatic, multiple myeloma and liver cancer.",,,Ranolazine,DB01685
4484,4484,4484,"Brimonidine is an alpha-2 adrenergic agonist used to treat glaucoma and ocular hypertension, as well as facial erythema in rosacea.",BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12,,Antithymocyte immunoglobulin (rabbit),DB07123
4485,4485,4485,Not Available,[H][C@@]12CO[C@@](C)(O[C@@]1([H])[C@H](O)[C@H](O)[C@H](O[C@H]1[C@H](O)[C@@H](O)C(O)O[C@@H]1C(O)=O)O2)C(O)=O,,"O,O-DIETHYL HYDROGEN THIOPHOSPHATE",DB00218
4486,4486,4486,Motuporin is a toxin isolated from the marine sponge Thenonella swinhoie grey.,[H]N1[C@H](CCC(=O)N(C)\C(=C/C)C(=O)N([H])[C@H]([C@H](C)C(=O)N([H])[C@@H](C(C)C)C(=O)N([H])[C@@H](\C=C\C(\C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C1=O)C(O)=O)C(O)=O,,Coumarin 120,DB03835
4487,4487,4487,Inositol nicotinate is a vasodilator and source of niacin found in dietary supplements.,O=C(O[C@H]1[C@H](OC(=O)C2=CC=CN=C2)[C@@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@H](OC(=O)C2=CC=CN=C2)[C@@H]1OC(=O)C1=CC=CN=C1)C1=CC=CN=C1,,Protirelin,DB05232
4488,4488,4488,"Mecasermin rinfabate is approved for severe primary insulin-like growth factor (IGF) deficiency or in patients with GH gene deletion who have developed antibodies to growth hormone (GH)1. Mecasermin rinfabate is similar to Mecasermin in that both drugs contain recombinant DNA origin insulin-like growth factor 1 (IGF-1). Mecasermin rinfabate however, is already bound to recombinant DNA origin insulin-like growth factor binding protein 3 (IGFBP-3)3. The binding of IGF-1 to IGFBP-3 is said to extend the half life and reduce the clearance of IGF-1 in patients with growth hormone resistant syndromes and low levels of IGFBP-3 though this may represent <500 patients worldwide5.",,,ADX-10061,DB01981
4489,4489,4489,Not Available,COC(=O)C1=C(C)CC(=O)C2=C(O)C3=C(C=C12)C(=O)C1=CC=CC(O)=C1C3=O,,"1,3,2-Dioxaborolan-2-Ol",DB00969
4490,4490,4490,Not Available,CC(C)OP(=O)OC(C)C,,"5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine",DB01611
4491,4491,4491,Not Available,CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O,,5-Aminoimidazole Ribonucleoside,DB01978
4492,4492,4492,"5,7,2′-trihydroxy-6,8-dimethoxyflavone (K36) is a high-affinity, naturally occurring flavonoid derivative isolated from the medicinal herb Scutellaria baicalensis Georgi 1.",COC1=C(O)C(OC)=C2OC(=CC(=O)C2=C1O)C1=CC=CC=C1O,,Ganstigmine,DB11988
4493,4493,4493,Tiagabine is an antiepileptic used to treat partial seizures.,CC1=C(SC=C1)C(=CCCN1CCC[C@H](C1)C(O)=O)C1=C(C)C=CS1,,TTP889,DB00286
4494,4494,4494,Not Available,[H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2,,Ilomastat,DB00257
4495,4495,4495,Obinutuzumab is an antineoplastic CD20 antibody used to treat untreated chronic lymphocytic leukemia in combination with chlorambucil.,,,"3-Amino-4,5-Dihydroxy-Cyclohex-1-Enecarboxylate",DB11850
4496,4496,4496,Not Available,CN(C1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)C1=CC2=CC=CC=C2C=C1C(=O)[C@@H](C1=CC=CC2=CC=CC=C12)P(O)(O)=O,,Ligelizumab,DB02535
4497,4497,4497,Not Available,[H][C@@](C)(NC1=CC2=C(C=N1)C(C)=NN2C1=CC=CC(CCC(N)=O)=C1)C1=CC=CC=C1,,Deoxy-2-fluoro-beta-D-cellotrioside,DB17472
4498,4498,4498,Not Available,NC(=O)C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,,Thiamylal,DB03038
4499,4499,4499,Anistreplase is a form of recombinant human tissue plasminogen activator used in the emergency treatment of myocardial infarction and pulmonary emboli.,,SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGTWSTAESGAECTNWNSSALAQKPYSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSSEFCSTPACSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP,3-[1-(4-BROMO-PHENYL)-2-METHYL-PROPYL]-4-HYDROXY-CHROMEN-2-ONE,DB03976
4500,4500,4500,Not Available,CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1,,Lorcaserin,DB02683
4501,4501,4501,Interferon gamma-1b is a form of recombinant human interferon used to treat infections associated with chronic granulomatous disease and to slow the progression of severe malignant osteopetrosis.,,CYCQDPYVKEAENLKKYFNAGHSDVADNGTLFLGILKNWKEESDRKIMQSQIVSFYFKLFKNFKDDQSIQKSVETIKEDMNVKFFNSNKKKRDDFEKLTNYSVTDLNVQRKAIHELIQVMAELSPAAKTGKRKRSQMLFRGRRASQ,O-acetyl-L-serine,DB09302
4502,4502,4502,Dihydrotachysterol is a synthetic analog of vitamin D that does not require renal activation like vitamin D2 or Vitamin D3.,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CC[C@@H]1C,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE",DB01149
4503,4503,4503,Not Available,[H]N=C(N([H])[H])C1=CC=C(O[C@@H]2CO[C@]3([H])[C@H](CO[C@]23[H])OC2=CC=CC(=C2)C(=N[H])N([H])[H])C=C1,,Febuxostat,DB07511
4504,4504,4504,Not Available,[H][C@@]1(CCNC1=O)NC(=O)CC(=O)CCCCCCCCC,,A-620223,DB02825
4505,4505,4505,Not Available,NC1=NC(OCC2CCCCC2)=C2N=CNC2=C1,,Dyphylline,DB07758
4506,4506,4506,Not Available,CC1=NC=CN1CCCCC1=CC=C(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)C=C1,,Barbital,DB12163
4507,4507,4507,Amifampridine is a voltage gated potassium channel blocker used to treat Lambert-Eaton myasthenic syndrome.,NC1=CC=NC=C1N,,"Guanosine-2',3'-cyclophosphorothioate",DB02623
4508,4508,4508,Not Available,[H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O,,Levocabastine,DB02300
4509,4509,4509,Not Available,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1,,D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide,DB07696
4510,4510,4510,Not Available,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC(NCC2=CC=CC=C2)=C1)C(O)=O,,"3H-pyrazolo[4,3-d]pyrimidin-7-ol",DB02405
4511,4511,4511,Not Available,CC(C)\N=C(/N)NO,,Modafinil,DB00775
4512,4512,4512,Not Available,[H][C@@](N)(CP(O)(O)=O)C(O)=O,,5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,DB04631
4513,4513,4513,Not Available,[H][C@@]1(CO[C@]2([H])[C@@]([H])(CO[C@]12[H])OC1=CC=CC(=C1)C(N)=N)OC1=CC=C(C=C1)C(N)=N,,Mestranol,DB06196
4514,4514,4514,"5-methoxy-N,N-dimethyltryptamine (5-MeO-DMT) is a tryptamine with psychedelic properties. It is found in a wide variety of plant species, and a single psychoactive toad species, the Colorado River toad. This drug, as well as dimethyltryptamine and bufotenin, have been registered to be used in South America in religious and spiritual rituals.",COC1=CC=C2NC=C(CCN(C)C)C2=C1,,2-Bromo-2-Propene-1-Ol,DB01788
4515,4515,4515,Not Available,[H]N(C(C)=O)C1=CC=C(CP([O-])(=O)O[C@@H](C)C2=CC=CC=C2)C=C1,,Rimiducid,DB03855
4516,4516,4516,Not Available,CCCCCCCCCCC[C@@H](O)CC(O)=O,,7-((Carboxy(4-Hydroxyphenyl)Acetyl)Amino)-7-Methoxy-(3-((1-Methyl-1h-Tetrazol-5-Yl)Thio)Methyl)-8-Oxo-5-Oxa-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid,DB08167
4517,4517,4517,Not Available,[H][C@]1(NC2=CC(Cl)=C(C=C2S(=O)(=O)N1)S(N)(=O)=O)C(Cl)Cl,,"2-deoxy-2,3-dehydro-N-acetylneuraminic acid",DB05829
4518,4518,4518,Not Available,[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1,,Phentermine,DB03294
4519,4519,4519,Coagulation factor VIIa Recombinant Human is a form of recombinant human coagulation Factor VII used to treat hemophilia A and B.,,ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGRIVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP,"(9S,12S)-9-(1-methylethyl)-7,10-dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-1(16),14,17-triene-12-carboxylic acid",DB00813
4520,4520,4520,Not Available,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,,(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid,DB15493
4521,4521,4521,Not Available,NC1=NC2=C(N=CN2CCCCC(F)(F)P(O)(O)=O)C(=O)N1,,Isradipine,DB08302
4522,4522,4522,Not Available,[H][C@]1(N)CCCC[C@@]1([H])NC1=NC(NC2=CC=CC(C)=C2)=C(C=N1)C(N)=O,,Encainide,DB12245
4523,4523,4523,Not Available,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1Cl,,3-(N-morpholino)propanesulfonic acid,DB07242
4524,4524,4524,"Tibolone is a synthetic steroid hormone drug, which is mainly non-selective in its binding profile, acting as an agonist primarily at estrogen receptors (ER), with a preference for ER alpha 11.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC(=O)CC3)C[C@@]([H])(C)[C@@]21[H],,Aspartate Semialdehyde,DB04262
4525,4525,4525,"An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518)",[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,,"4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide",DB07311
4526,4526,4526,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(O)[C@](F)(CO)OC1([H])F,,ONT-093,DB12731
4527,4527,4527,Mephentermine is a sympathomimetic agent used in the treatment of hypotension.,CNC(C)(C)CC1=CC=CC=C1,,Mevastatin,DB03420
4528,4528,4528,Olopatadine is a histamine H1 antagonist used to treat allergic conjunctivitis and rhinitis.,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2,,Isopropamide,DB06210
4529,4529,4529,"An orally bioavailable small molecule inhibitor of the insulin-like growth factor 1 receptor (IGF-1R) with potential antineoplastic activity. IGF-1R inhibitor OSI-906 selectively inhibits IGF-1R, which may result in the inhibition of tumor cell proliferation and the induction of tumor cell apoptosis.",C[C@@]1(O)C[C@@H](C1)C1=NC(=C2N1C=CN=C2N)C1=CC=C2C=CC(=NC2=C1)C1=CC=CC=C1,,"4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE",DB03319
4530,4530,4530,Not Available,CCOCCOCCOCC,,Lisinopril,DB01364
4531,4531,4531,Not Available,CC1=CC=CC(O)=C1,,Bifonazole,DB02980
4532,4532,4532,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=[NH2+],,2-(N-morpholino)ethanesulfonic acid,DB12250
4533,4533,4533,Not Available,N[C@@H](CSCC1=CC=CC=C1)C(O)=O,,Dexanabinol,DB09014
4534,4534,4534,Not Available,COC1=CC(NC2=NC(=CC=N2)N(C)C2=CC3=C(C=C2)C(C)=NN3)=CC(OC)=C1OC,,MPI-674,DB04581
4535,4535,4535,Not Available,[H][C@@](C)(C1=CC=C(Cl)C=C1)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,,+/-METHYL 4-(AMINOIMINOMETHYL)-BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE,DB09212
4536,4536,4536,Not Available,[H][C@](C)(CO)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)C[P@@]([H])(O)=O,,Iclaprim,DB00308
4537,4537,4537,Not Available,CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO,,2-Formyl-Protoporphryn Ix,DB04042
4538,4538,4538,Clinofibrate is a fibrate drug sold and marketed in Japan.,CCC(C)(OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(OC(C)(CC)C(O)=O)C=C1)C(O)=O,,Dipicolinic acid,DB04612
4539,4539,4539,Not Available,OC(=O)CCCCCN1C(=CC2=C1C=CC(OCC1=C(Cl)C=CC=C1Cl)=C2)C(O)=O,,Benzyl formate,DB01328
4540,4540,4540,Not Available,CCC\C(=C\C1=CC=C(O1)C1=CC(=CC=C1)C(O)=O)[N+]([O-])=O,,Trimethadione,DB00303
4541,4541,4541,"A bivalent cancer vaccine comprised of a modified vaccinia virus Ankara (MVA) strain encoding human mucin 1 (MUC1) and interleukin-2 (IL-2) with potential immunostimulating and antineoplastic activities. Originally developed for the eradication of smallpox, MVA is a highly attenuated and replication-defective strain incapable of virion assembly and exerts potent immunostimulatory activity against antigens. Vaccination with MVA-MUC1-IL2 vaccine may stimulate the host immune system to mount a humoral and cytotoxic T lymphocyte (CTL) responses against tumor cells expressing MUC1, a tumor associated antigen, resulting in tumor cell lysis. Expression of IL-2 augments the specific CTL response against MUC1 expressing cells. 1",,,4-Phospho-D-erythronohydroxamic acid,DB06990
4542,4542,4542,"Apixaban is an anticoagulant used for the prophylaxis of stroke and systemic embolism in nonvalvular atrial fibrillation, and deep vein thrombosis(DVT) leading to pulmonary embolism(PE), including in patients after a hip or knee replacement surgery.",COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O,,"6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine",DB04411
4543,4543,4543,Fleroxacin is a broad-spectrum antimicrobial fluoroquinolone. It strongly inhibits the DNA-supercoiling activity of DNA gyrase. Fleroxacin is not an inhibitor of CYP1A2.1,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O,,Perphenazine,DB07859
4544,4544,4544,Not Available,CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETICACID,DB14960
4545,4545,4545,Not Available,NC1=CC=CC(SC2=CC=C(\C=C\C(=O)N3CCOCC3)C(=C2C(F)(F)F)C(F)(F)F)=C1,,Ebselen,DB07630
4546,4546,4546,Willardiine is a compound isolated from seeds of Acacia willariana.,NOC(=O)CCN1C=CC(=O)NC1=O,,Tenofovir,DB04006
4547,4547,4547,Sermorelin acetate is the acetate salt of an amidated synthetic 29-amino acid peptide (GRF 1-29 NH 2 ) that corresponds to the amino-terminal segment of the naturally occurring human growth hormone-releasing hormone (GHRH or GRF) consisting of 44 amino acid residues,,YADAIFTNSYRKVLGQLSARKLLQDIMSRQ,Turoctocog alfa,DB00013
4548,4548,4548,Not Available,NC(=N)NC1=CC=C(C=C1)C(O)=O,,2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide,DB04242
4549,4549,4549,One of the furans with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.,O=C1CCCO1,,"5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID",DB08556
4550,4550,4550,"Spermidine is a polyamine formed from putrescine. It is found in almost all tissues in association with nucleic acids. It is found as a cation at all pH values, and is thought to help stabilize some membranes and nucleic acid structures. It is a precursor of spermine.",NCCCCNCCCN,,L-gulonic acid 6-phosphate,DB02684
4551,4551,4551,Not Available,[H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1,,Phenacemide,DB08755
4552,4552,4552,WIN-54954 is a broad-spectrum antipicornavirus drug.,CC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,,Apoptone,DB15797
4553,4553,4553,Not Available,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN=NN1CCNC1=C2CCCCC2=NC2=C1C=CC=C2,,Prazepam,DB08813
4554,4554,4554,Anthrax immune globulin human is an immunizing agent used for the treatment of inhalational anthrax in adult and pediatric patients in combination with antibacterial agents.,,,Itraconazole,DB04210
4555,4555,4555,Sildenafil is a phosphodiesterase inhibitor used for the treatment of erectile dysfunction.,CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1,,Lpc-Ether,DB03114
4556,4556,4556,Not Available,[H]C(=O)\C=C\C,,Equilin,DB08733
4557,4557,4557,"Caerulein is a specific decapeptide similar in action and composition to the natural gastrointestinal peptide hormone cholecystokinin. It exerts stimulatory effects on the gastric, biliary, and pancreatic secretion, as well as on certain smooth muscles.",[H][C@](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O,,8-Bromoadenosine-5'-Diphosphate,DB17587
4558,4558,4558,"Fesoterodine is an antimuscarinic agent used in the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency, and frequency.",CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C,,Omega-3-acid ethyl esters,DB07300
4559,4559,4559,"Estrane-3,17-dione is a potent inhibitor of isomerase.",[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12[H],,Rofecoxib,DB02481
4560,4560,4560,Leukotriene D4 has been used in trials studying the diagnostic of Asthma and Allergic Rhinitis.,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,,"6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin",DB07884
4561,4561,4561,"RPI-78M is being developed for the treatment of multiple sclerosis (MS). Other neurological disorders that may be served by RPI-78M include myasthenia gravis (MG), muscular dystrophy (MD) and amyotrophic lateral sclerosis (ALS).",,,"N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine",DB07119
4562,4562,4562,MK-0731 is a kinesin spindle protein inhibitor and antineoplastic agent.,CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)C1=CC=CC=C1)C1=C(F)C=CC(F)=C1,,Indomethacin,DB12764
4563,4563,4563,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)[C@]([H])(CSC1=CC=CS1)C(=O)NO)C(=O)NC,,Naloxone,DB02531
4564,4564,4564,"Dichlorvos or 2,2-dichlorovinyl dimethyl phosphate is a drug of the organophosphate class, frequently used as an insecticide for the control of indoor pests and for the protection of stored products from insect infestations. The compound has been available on the market since 1961 and its use is a controversial topic due to environmental and health concerns. Dichlorvos is found in urban waterways and its toxicity may impact humans, leading to poisoning, neurotoxicity, and cancer.",COP(=O)(OC)OC=C(Cl)Cl,,Cilansetron,DB02556
4565,4565,4565,Not Available,O=C1NC2=CC=CC=C2\C1=C\NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1,,"1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine",DB01346
4566,4566,4566,Not Available,ClC1=CC=C(CN(CC2=CC=C(Cl)C=C2)C2=NNN=N2)C=C1,,Phenylphosphate,DB07473
4567,4567,4567,"An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with nitrous oxide to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180)",COC(F)(F)C(Cl)Cl,,alpha-Fluoro-carboxymethyldethia coenzyme A complex,DB00005
4568,4568,4568,"Sertraline is a selective serotonin reuptake inhibitor (SSRI) indicated to treat major depressive disorder, social anxiety disorder and many other psychiatric conditions.",CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,,"5,6-Dimethylbenzimidazole",DB00482
4569,4569,4569,"Lenograstim is a granulocyte colony-stimulating factor indicated in the reduction of duration of neutropenia in bone marrow transplant and cytotoxic chemotherapy, as well as mobilizing hematopoietic stem cells in healthy donors.",,,Gilteritinib,DB07056
4570,4570,4570,Not Available,NC1=CN=CC(Cl)=N1,,Olodaterol,DB04074
4571,4571,4571,Not Available,[H][C@@]1(O)CC2=C(C=CC3=C2C2=C(C=CC=C2)C=C3)[C@@]([H])(O)[C@]1([H])O,,Aprepitant,DB01256
4572,4572,4572,"Tolfenamic acid, with the formula N-(2-methyl-3-chlorphenyl)-anthranilic acid, is a nonsteroidal anti-inflammatory agent.2 It was discovered by scientists at Medica Pharmaceutical Company in Finland. It is used in the UK as a treatment for migraine under the name of Clotam.10 In the US, it presents a Status class I by the FDA. By the European Medicine Agency, it was granted in 2016 with the status of orphan for the treatment of supranuclear palsy.9",CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O,,Necitumumab,DB03393
4573,4573,4573,"Maftivimab is part of a product containing three monoclonal IgG1κ antibodies directed against the GP1,2 glycoprotein of Zaire ebolavirus. Together, these three antibodies act to neutralize viral particles and to recruit immune effectors for the destruction of both viral particles and infected cells.",,,"IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE",DB15413
4574,4574,4574,Not Available,CCOCCOCCOCCOCCOCCOCC,,Dazoxiben,DB00446
4575,4575,4575,Not Available,OP(O)(=O)CNC(=O)OCC1=CC=CC=C1,,3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID,DB01728
4576,4576,4576,Not Available,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O,,3-Methylfentanyl,DB01809
4577,4577,4577,Not Available,ClC1=CC=CC=C1C1=CC2=C(C3=C(N2)C=CC(NC=O)=C3)C2=C1C(=O)NC2=O,,Loxicodegol,DB08895
4578,4578,4578,Moxetumomab pasudotox is a CD22-specific antibody conjugated to a truncated exotoxin used to treat relapsed or refractory hairy cell leukemia in patients who have already been treated with a purine nucleoside analog and one other treatment.,,MEVQLVESGGGLVKPGGSLKLSCAASGFAFSIYDMSWVRQTPEKCLEWVAYISSGGGTTYYPDTVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHSGYGTHWGVLFAYWGQGTLVSAKASGGPEGGSLAALTAHQACHLPLETFTRHRQPRGWEQLEQCGYPVQRLVALYIAARLSWNQVDQVIRALASPGSGGDLGEAIREQPEQARLALTLAAAESERFVRQGTGNDEAGAANGPADSGDALLERNYPTGAEFLGDGGDVSFSTRGTQNWTVERLLQAHRQLEERGYVFVGYHGTFLEAAQSIVFGGVRARSQDLDAIWRGFYIAGDPALAYGYAQDQEPDARGRIRNGALLRVYVPRSSLPGFYRTSLTLAAPEAAGEVERLIGHPLPLRLDAITGPEEEGGRLETILGWPLAERTWIPSAIPTDPRNVGGDLDPSSIPDKEQAISALPDYASQPGKPPREDLK,6-Bromo-1-hexanol,DB03752
4579,4579,4579,Sertaconazole is a topical antifungal agent used in the treatment of interdigital tinea pedis in immunocompetent patients.,ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl,,CMLVAX100,DB02065
4580,4580,4580,A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity. [PubChem],CCCC(=O)SCC[N+](C)(C)C,,Nebularine,DB00939
4581,4581,4581,Monobenzone is a hydroquinone derivative used to treat vitiligo.,OC1=CC=C(OCC2=CC=CC=C2)C=C1,,Bis(Adenosine)-5'-Pentaphosphate,DB09095
4582,4582,4582,Not Available,OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=CC=C2,,"2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE",DB04700
4583,4583,4583,Dantrolene is a direct-acting skeletal muscle relaxant used for the treatment of management of the fulminant hypermetabolism of skeletal muscle leading to malignant hyperthermia crisis.,[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=N\N1CC(=O)NC1=O,,3-AMINO-AZACYCLOTRIDECAN-2-ONE,DB06881
4584,4584,4584,Chlorpropamide is a sulfonylurea used in the treatment of non insulin dependent diabetes mellitus.,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,,Blonanserin,DB04170
4585,4585,4585,Etafedrine is a beta-2 adrenoceptor agonist used to treat a cough associated with inflamed mucosa.,CCN(C)[C@@H](C)[C@H](O)C1=CC=CC=C1,,Doxorubicin,DB00205
4586,4586,4586,Pitolisant is an antagonist and inverse agonist at the histamine H3 receptor that is used to treat narcolepsy in adults.,ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1,,Beta-D-Glucopyranose Spirohydantoin,DB05050
4587,4587,4587,Glutamic acid is the most common excitatory neurotransmitter in the central nervous system.,N[C@H](CCC(O)=O)C(O)=O,,Dapagliflozin,DB02799
4588,4588,4588,Voacamine is an alkaloid isolated from the bark of the Pescheria fuchsiae folia tree. It is an antimalarial drug approved for use in several African countries. Voacamine is also under investigation for use in modulating multidrug-resistance in tumor cells.,[H][C@@]12C[C@H](CC)[C@]3([H])N(C1)CCC1=C(NC4=CC(=C(OC)C=C14)[C@@]1([H])C[C@]4([H])C(C(=O)OC)[C@@]([H])(CC5=C1NC1=CC=CC=C51)N(C)C\C4=C\C)[C@@]3(C2)C(=O)OC,,Gpi-1046,DB11586
4589,4589,4589,Efmoroctocog alfa is a recombinant Factor VIII used to treat and prevent bleeding in hemophilia A.,,,Cefaclor,DB04445
4590,4590,4590,Not Available,OC(=O)COC1=CC=CC2=CC=CC=C12,,Mirtazapine,DB07218
4591,4591,4591,"Pimagedine has been developed by Synvista Therapeutics, Inc for the treatment of diabetic kidney disease. It is an advanced glycation end product inhibitor which manages diabetic nephropathy, either alone or in combination with other therapies. It is beneficial in treating patients with diabetic nephropathy.",NNC(N)=N,,Asoprisnil,DB08500
4592,4592,4592,Trastuzumab deruxtecan is an antibody used to treat certain types of unresectable or metastatic HER2 positive breast cancer.,,,Sotatercept,DB02854
4593,4593,4593,Not Available,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(=C1[O-])C1=CC=CC=C1,,Paratoulene phosphate,DB01942
4594,4594,4594,"Captopril is an ACE inhibitor used for the management of essential or renovascular hypertension, congestive heart failure, left ventricular dysfunction following myocardial infarction, and nephropathy.",C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O,,"S-(2,4-dinitrophenyl)glutathione",DB03904
4595,4595,4595,Not Available,ON(CCCP(O)(O)=O)C=O,,"N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine",DB08335
4596,4596,4596,Minoxidil is an antihypertensive vasodilating agent used for resistant hypertension that is symptomatic or has caused end organ damage.,NC1=CC(=NC(N)=[N+]1[O-])N1CCCCC1,,YKP-1358,DB01619
4597,4597,4597,Not Available,[H][C@@](CCCO)(C(=O)NO)[C@@]([H])(CC(C)C)C(=O)N[C@@]1([H])CCCCN(CCOC)C1=O,,Crizotinib,DB08442
4598,4598,4598,Not Available,CCC(CC)C(=O)NC1=CC(=CC=C1NC(C)=O)C(O)=O,,Dihydroquinidine barbiturate,DB12305
4599,4599,4599,Not Available,CC(=O)CCO,,3-(4-NITRO-PHENOXY)-PROPAN-1-OL,DB00846
4600,4600,4600,Not Available,[H]\C(C=O)=C(\COC1=CC=C(C)C=C1)NC1=C(O)C=C(O)C(C[C@]([H])(N)C(O)=O)=C1,,Inolimomab,DB07142
4601,4601,4601,Not Available,COC(=O)C1CCN(CC1)C(=O)[C@H](CC1=CC=CC(=C1)C(N)=N)NS(=O)(=O)C1=CC=C2C=CC=CC2=C1,,"(2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol",DB01823
4602,4602,4602,Not Available,COC1=CC(=CC=C1)N1CCC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,,Bis(5-Amidino-2-Benzimidazolyl)Methanone,DB05387
4603,4603,4603,Magnesium salicylate is an NSAID analgesic used in the symptomatic relief of mild to moderate muscular pain.,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,,Maralixibat,DB01778
4604,4604,4604,Not Available,OC[C@@H](O)[C@H](O)[C@@H](O)CN1C(=O)N(CCCCOP(O)(O)=O)C2=C1NC(=O)NC2=O,,Mogamulizumab,DB07034
4605,4605,4605,Not Available,[H][C@]1(OC2=C(C=C1)C(CC1=CN=C(N)N=C1N)=CC(OC)=C2OC)C1CC1,,"(4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol",DB02484
4606,4606,4606,Not Available,NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O,,3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE,DB06448
4607,4607,4607,"Pentoxyverine is a medication used to suppress a cough in the common cold, flu, bronchitis, and sinusitis.",CCN(CC)CCOCCOC(=O)C1(CCCC1)C1=CC=CC=C1,,Trapidil,DB03182
4608,4608,4608,"KD3010 is a small molecule peroxisome proliferator-activator receptor delta (PPAR Delta) agonist for the treatment of metabolic disorders, including obesity.",CC1=CC=C(C=C1)S(O)(=O)=O.[H]C1(CC2=C(C1)C(=CC=C2)S(=O)(=O)N1[C@@]([H])(C)CN(C[C@@]1([H])C)C1=CC=C(OC(F)(F)F)C=C1)C(O)=O,,Basiliximab,DB08759
4609,4609,4609,(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol is a solid. This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. This substance is known to target disintegrin and metalloproteinase domain-containing protein 17.,[H][C@]1(S)CCN(C1)S(=O)(=O)C1=CC=C(OCC#CC)C=C1,,Pozanicline,DB03161
4610,4610,4610,Anti-inhibitor coagulant complex is a medication used to control bleeding episodes and prevent bleeding episodes in hemophilia A and B.,,,GC-373,DB04752
4611,4611,4611,Zofenopril is an ACE inhibitor indicated in the treatment of hypertension.,C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N1C[C@H](C[C@H]1C(O)=O)SC1=CC=CC=C1,,Anthrax immune globulin human,DB02158
4612,4612,4612,Not Available,N#CC1=NC2=C(N=CN2C2CCCC2)C(NC2=CC=CC=C2OCCCN2C=CN=C2)=N1,,Reversin 121,DB08739
4613,4613,4613,Not Available,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Bilh 434,DB04554
4614,4614,4614,"Sulfadiazine is a sulfonamide antibiotic used in a variety of infections, such as urinary tract infections, trachoma, and chancroid.",NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1,,Dimethylcurcumin,DB05540
4615,4615,4615,Not Available,COC1=CC(NC2=NC=NC(NC3=CC(Cl)=C(OC)C=C3)=N2)=CC(OC)=C1OC,,2-Undecanone,DB06543
4616,4616,4616,Not Available,CC(C)(O)[C@@H]1CC2=C(O1)C=C1OC(=O)C(=CC1=C2)C(C)(C)C=C,,Almotriptan,DB01837
4617,4617,4617,Not Available,[H][C@]1(O[C@H](C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO,,4-Deoxyglucarate,DB08060
4618,4618,4618,Not Available,CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O,,Paritaprevir,DB01034
4619,4619,4619,"Dimethylthiambutene (N,N-Dimethyl-1-methyl-3,3-di-2-thienylallylamine, Dimethibutin, Ohton) is an opioid analgesic drug. It is now under international control under Schedule I of the UN Single Convention On Narcotic Drugs 1961, presumably due to high abuse potential, although little more information is available.",CC(C=C(C1=CC=CS1)C1=CC=CS1)N(C)C,,Dalfampridine,DB02841
4620,4620,4620,The N-acetyl derivative of glucosamine.,CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,,Methohexital,DB02434
4621,4621,4621,"A 20-carbon-chain fatty acid, unsaturated at positions 8, 11, and 14. It differs from arachidonic acid, 5,8,11,14-eicosatetraenoic acid, only at position 5.",CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,,"3-[3-(2,3-Dihydroxy-Propylamino)-Phenyl]-4-(5-Fluoro-1-Methyl-1h-Indol-3-Yl)-Pyrrole-2,5-Dione",DB06867
4622,4622,4622,Nevirapine is a non-nucleoside reverse transcriptase inhibitor used as part of a management regimen for HIV-1 virus infection.,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1,,4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE,DB05412
4623,4623,4623,Not Available,OCC(CO)(CO)NCCCNC(CO)(CO)CO,,"1-[4-(Octahydro-Pyrido[1,2-a]Pyrazin-2-Yl)-Phenyl]-2-Phenyl-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol",DB02118
4624,4624,4624,Not Available,CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@@H](CCC(O)=O)C(O)=O,,Glyphosate,DB03353
4625,4625,4625,Not Available,[O-][N+]1=CC=CC=C1C(F)(F)CNC1=NC=C(Cl)N(CC(=O)NCC2=C(F)C=CC=C2)C1=O,,Difelikefalin,DB01840
4626,4626,4626,Not Available,[H]N([H])C(=NC[C@H](OC(=O)C1=CN=CC=C1)C1=CC=C(C=C1)B1OC[C@@H](CO)O1)N([H])[H],,N-[Tosyl-D-Prolinyl]Amino-Ethanethiol,DB00378
4627,4627,4627,A deaminated metabolite of levodopa. [PubChem],OC(=O)CC1=CC(O)=C(O)C=C1,,BTA9881,DB12151
4628,4628,4628,Isothipendyl is a 1st generation histamine H1 antagonist primarily applied topically as an antipruritic.,CC(CN1C2=CC=CC=C2SC2=C1N=CC=C2)N(C)C,,Metribolone,DB06080
4629,4629,4629,Not Available,N[C@@H](C[NH3+])C(O)=O,,"9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9h-Purin-6-Ylamine",DB03206
4630,4630,4630,Not Available,CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1,,Anti-inhibitor coagulant complex,DB07076
4631,4631,4631,Not Available,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)CO)C(=O)N([H])C1=O,,Linsitinib,DB07162
4632,4632,4632,"Lumiliximab is a chimeric monoclonal antibody which is used as an immunosuppressive drug. It is a primatized anti-CD23 macaque/human chimeric antibody that inhibits the production of the IgE antibody, for the potential treatment of allergic conditions. Lumiliximab was developed by IDEC Pharmaceuticals, which was acquired by Biogen. Clinical trials for CLL were terminated in 2010, and for allergic asthma in 2007. Results published from the CLL clinical trial failed to meet primary endpoints.",,,Arabinose-5-phosphate,DB03074
4633,4633,4633,Adipiplon is an nonbenzodiazepine anxiolytic developed by Neurogen Corporation. It is known by the standardized identifier NG2-73.,CCCC1=C(CN2C=CN=C2C2=C(F)C=CC=N2)N=CN2N=C(C)N=C12,,17-METHYL-17-ALPHA-DIHYDROEQUILENIN,DB00980
4634,4634,4634,Not Available,CN(C)CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,,N6-Benzyl Adenosine-5'-Diphosphate,DB07956
4635,4635,4635,Not Available,CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC2=CC=CC=C2)N(C)C1=O)C(O)=O)C(O)=O,,anti-OX40 antibody BMS 986178,DB01063
4636,4636,4636,Not Available,C[P@@](O)(=O)CC(=O)CC(O)=O,,2-(Oxalyl-Amino)-Benzoic Acid,DB04314
4637,4637,4637,Not Available,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,,RWJ-51084,DB01944
4638,4638,4638,Not Available,OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1,,Astemizole,DB04373
4639,4639,4639,Not Available,[O-][N+](=O)C1=CC=C(C=C1)[C@H]1CO1,,Brentuximab vedotin,DB02424
4640,4640,4640,Somatrogon is a long-acting recombinant human growth hormone used as the long-term treatment of pediatric patients who have growth failure due to growth hormone deficiency.,,SSSSKAPPPSLPSPSRLPGPSDTPILPQFPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSLVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGFSSSSKAPPPSLPSPSRLPGPSDTPILPQSSSSKAPPPSLPSPSRLPGPSDTPILPQ,Immucillin-G,DB00589
4641,4641,4641,Vitamin A is a vitamin important for retinal function that is used clinically to correct vitamin A deficiency.,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,,Dichlororibofuranosylbenzimidazole,DB05408
4642,4642,4642,Not Available,CC1=NNC2=C1C=C(C=C2)C1=CC(OC[C@@H](N)CC2=CC=CC=C2)=CN=C1,,4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE,DB01902
4643,4643,4643,Not Available,[H][C@](CC)(CC1=CC(CNC(=O)C2=C(F)C=C(C=C2)C(F)(F)F)=C(OC)C=C1)C(O)=O,,Pemetrexed,DB06412
4644,4644,4644,"Oxymetazoline is an alpha-1A adrenoceptor agonist used to treat nasal congestion, allergic reactions of the eye, and facial erythema associated with rosacea.",CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C,,"3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID",DB04376
4645,4645,4645,Cysteine is an amino acid commonly found as a component of total parenteral nutrition and used as an antidote for acetaminophen overdose.,N[C@@H](CS)C(O)=O,,Geptanolimab,DB00427
4646,4646,4646,Ligelizumab is an IgE-directed monoclonal antibody under investigation for the treatment of chronic spontaneous urticaria (CSU).,,,N-beta-D-glucopyranosylacetamide,DB03061
4647,4647,4647,Bethanechol is a muscarinic agonist used to treat postoperative and postpartum nonobstructive functional urinary retention and neurogenic atony of the bladder with retention.,CC(C[N+](C)(C)C)OC(N)=O,,Mersalyl,DB06695
4648,4648,4648,Not Available,,,Nonan-1-Ol,DB05262
4649,4649,4649,Iron Dextran is an iron supplement used to treat iron deficiency in patients who cannot take oral iron.,,,N7-(5'-Phospho-alpha-ribosyl)-2-hydroxypurine,DB00261
4650,4650,4650,"S-777469 is under investigation in clinical trial NCT00703573 (A Randomized, Double-blind Study to Evaluate the Safety and Efficacy of 2 Doses of S-777469 in Patients With Atopic Dermatitis).",CCC1=C(C)C=C(C(=O)NC2(CCCCC2)C(O)=O)C(=O)N1CC1=CC=C(F)C=C1,,3-Amino-Alanine,DB00587
4651,4651,4651,Not Available,[H][C@@]1(O)C[C@@]2(C)C(=O)C[C@]1([H])C2(C)C,,Finerenone,DB16275
4652,4652,4652,Not Available,CC(=O)N[C@@H](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,"2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one",DB04942
4653,4653,4653,Not Available,[H][C@@]1(CSC(=N1)C(\N)=C\C)C(O)=O,,Imidazole,DB04306
4654,4654,4654,"Bifeprunox is a novel atypical antipsychotic agent which, along with SLV313, aripiprazole and SSR-181507 combines minimal D2 receptor agonism with 5-HT receptor agonism.",O=C1NC2=C(O1)C(=CC=C2)N1CCN(CC2=CC(=CC=C2)C2=CC=CC=C2)CC1,,Cyclopentolate,DB08377
4655,4655,4655,"Metronidazole is a nitroimidazole used to treat trichomoniasis, amebiasis, inflammatory lesions of rosacea, and bacterial infections, as well as prevent postoperative infections.",CC1=NC=C(N1CCO)[N+]([O-])=O,,(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid,DB14723
4656,4656,4656,"Hydrochlorothiazide is a thiazide diuretic used to treat edema associated with a number of conditions, and hypertension.",NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1,,D-glyceraldehyde 3-phosphate,DB03672
4657,4657,4657,Linolenic acid is a polyunsaturated omega-3 fatty acid found in many supplements.,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,,Periciazine,DB03812
4658,4658,4658,"Fluoxetine is a selective serotonin reuptake inhibitor used to treat major depressive disorder, bulimia, OCD, premenstrual dysphoric disorder, panic disorder, and bipolar I.",CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,,"1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene",DB02348
4659,4659,4659,Not Available,[O-]C(=O)C(=C/OP(=O)=O)\C1=CC=CC=C1,,Arginineamide,DB06840
4660,4660,4660,Umbralisib is a kinase inhibitor used to treat rare forms of refractory lymphoma.,CC(C)OC1=C(F)C=C(C=C1)C1=NN([C@@H](C)C2=C(C3=CC=CC(F)=C3)C(=O)C3=CC(F)=CC=C3O2)C2=C1C(N)=NC=N2,,N-(4-{2-[(3-chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide,DB08085
4661,4661,4661,"Perindopril is an ACE inhibitor prodrug used to treat hypertension, mild to moderate congestive heart failure, and to reduce cardiovascular risk in patients with hypertension or post-myocardial infarction.",[H][C@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O,,"1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL",DB03973
4662,4662,4662,Not Available,CC1=CN=C2N1C=CN=C2NCC1=CC=NC=C1,,Diphenoxylate,DB08171
4663,4663,4663,Not Available,CCCN1CCC(CC1)C1=NC2=CC=CC(C(N)=O)=C2N1,,Argininosuccinate,DB05003
4664,4664,4664,Tropisetron is a 5HT-3 receptor antagonist used as an antiemetic in the treatment of chemotherapy-induced nausea and vomiting.,[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)OC(=O)C1=CNC3=CC=CC=C13)N2C,,"4-(3-ethylthiophen-2-yl)benzene-1,2-diol",DB04932
4665,4665,4665,Not Available,,,Delorazepam,DB08626
4666,4666,4666,Not Available,N1C=CN=C1,,Dolasetron,DB02700
4667,4667,4667,Not Available,[H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2,,S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione,DB07383
4668,4668,4668,"PH-284 belongs to a new family of new chemical entities called vomeropherins. Vomeropherins are self-administered by the patient with a metered nasal spray, or nasal aerosol device so that they can bind to peripheral chemosensory receptors in the nasal passages. This binding produces neural impulses that are transmitted by specific pathways to the hypothalamic centre that directly and rapidly affect brain function. PH-284 is under investigation by Pherin and Organon for the treatment of anorexia nervosa, and loss of appetite and cachexia in cancer and AIDS patients.",,,methyl beta-D-glucopyranoside,DB08135
4669,4669,4669,Vidarabine is an antiviral agent used to treat various viral infections.,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,,Asimadoline,DB08155
4670,4670,4670,Oprelvekin is a form of recombinant interleukin-11 used to stimulate production of megakaryocytes and platelets in patients with or at risk of thrombocytopenia after chemotherapy.,,GPPPGPPRVSPDPRAELDSTVLLTRSLLADTRQLAAQLRDKFPADGDHNLDSLPTLAMSAGALGALQLPGVLTRLRADLLSYLRHVQWLRRAGGSSLKTLEPELGTLQARLDRLLRRLQLLMSRLALPQPPPDPPAPPLAPPSSAWGGIRAAHAILGGLHLTLDWAVRGLLLLKTRL,Tirzepatide,DB05133
4671,4671,4671,Not Available,CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F,,Lesinurad,DB08617
4672,4672,4672,Not Available,COC1=C(C=CC=C1)C1=CC=C(O1)C(O)=O,,6-Chloro-2-(2-Hydroxy-Biphenyl-3-Yl)-1h-Indole-5-Carboxamidine,DB02336
4673,4673,4673,Not Available,CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O,,"9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE",DB04734
4674,4674,4674,Not Available,,,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE,DB12693
4675,4675,4675,Retifanlimab is a PD-1–blocking antibody indicated for the treatment of adult patients with metastatic or recurrent locally advanced Merkel cell carcinoma.,,QVQLVQSGAEVKKPGASVKVSCKASGYSFTSYWMNWVRQAPGQGLEWIGVIHPSDSETWLDQKFKDRVTITVDKSTSTAYMELSSLRSEDTAVYYCAREHYGTSPFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE,DB02450
4676,4676,4676,Not Available,CC(C)CC(O)=O,,DCFBC,DB00981
4677,4677,4677,Not Available,[H][C@](N)(CC1=CC(\N=C\CC2=CC=CC=C2)=C(O)C=C1O)C(O)=O,,"THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE",DB08210
4678,4678,4678,Not Available,COC1=CC2=C(OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=N2)C(=C1)C1=CN=C(OC)C=C1,,Nusinersen,DB00946
4679,4679,4679,"Fibrinolysin consists of two polypeptide chains, one light and one heavy, linked by a disulfide bond. The light chain has a molecular weight of approximately 27,000 Da and contains the active center of Fibrinolysin; the heavy chain has a molecular weight of approximately 57,000 Da. Fibrinolysin is used as a local healing ointment when combined together with the enzyme deoxyribonuclease I (extracted from bovine pancreas). Fibrinolysin and deoxyribonuclease both act as lytic enzymes. The combination is available as ointment containing 1 BU (Biological Unit) Fibrinolysin and 666 BUs desoxyribonuclease per gram. The ointment is marketed by Pfizer under the brand name Fibrolan in a variety of countries (e.g. Switzerland). It is currently not approved in the USA.",,DLLDDYVNTQGASLLSLSRKNLAGRSVEDCAAKCEEETDFVCRAFQYHSKEQQCVVMAENSKNTPVFRMRDVILYEKRIYLLECKTGNGQTYRGTTAETKSGVTCQKWSATSPHVPKFSPEKFPLAGLEENYCRNPDNDENGPWCYTTDPDKRYDYCDIPECEDKCMHCSGENYEGKIAKTMSGRDCQAWDSQSPHAHGYIPSKFPNKNLKMNYCRNPDGEPRPWCFTTDPQKRWEFCDIPRCTTPPPSSGPKYQCLKGTGKNYGGTVAVTESGHTCQRWSEQTPHKHNRTPENFPCKNLEENYCRNPNGEKAPWCYTTNSEVRWEYCTIPSCESSPLSTERMDVPVPPEQTPVPQDCYHGNGQSYRGTSSTTITGRKCQSWSSMTPHRHLKTPENYPNAGLTMNYCRNPDADKSPWCYTTDPRVRWEFCNLKKCSETPEQVPAAPQAPGVENPPEADCMIGTGKSYRGKKATTVAGVPCQEWAAQEPHQHSIFTPETNPQSGLERNYCRNPDGDVNGPWCYTMNPRKPFDYCDVPQCESSFDCGKPKVEPKKCSGR,4-guanidinobenzoic acid,DB00012
4680,4680,4680,Not Available,[H][C@]1(N)C=C(CO)C[C@]([H])(O)[C@@]1([H])O,,4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole,DB07515
4681,4681,4681,Not Available,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)N)[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)[C@]([H])(C(F)F)[C@@]21[H],,Amrinone,DB01738
4682,4682,4682,Not Available,C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O,,Lotilaner,DB01410
4683,4683,4683,Not Available,CC1(C)CCC(C)(C)C2=CC(=CC=C12)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O,,3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE,DB02740
4684,4684,4684,Ulocuplumab is under investigation in Solid Tumor.,,,3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE,DB09038
4685,4685,4685,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(I)C(=O)NC1=O,,Stiripentol,DB09099
4686,4686,4686,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1,,2-phenyl-1H-imidazole-4-carboxylic acid,DB08789
4687,4687,4687,Suprofen is an NSAID used to prevent pupil constriction in ocular surgery.,CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1,,Fluoroestradiol F-18,DB00689
4688,4688,4688,LGD-1550 is an orally-active synthetic aromatic retinoic acid agent with potential antineoplastic and chemopreventive activities.,C\C(\C=C\C=C(/C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)=C/C(O)=O,,"4,4'-DIPYRIDYL DISULFIDE",DB01824
4689,4689,4689,"LY2608204 has been used in trials studying the treatment of Diabetes Mellitus, Type 2.",O=C(NC1=NC=C(SCCN2CCCC2)S1)[C@@]1(C[C@H]1C1CCCCC1)C1=CC=C(C=C1)S(=O)(=O)C1CC1,,Ketanserin,DB03019
4690,4690,4690,Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.,C[N+](C)(C)CCOP(O)(O)=O,,Adenosine 5'-[gamma-thio]triphosphate,DB08815
4691,4691,4691,Bicifadine (DOV-220075) is a nonopioid analgesic. It is an inhibitor of both the norepinephrine and serotonin transporters and an NMDA antagonist with a non-narcotic profile. Bicifadine was shown to have potent analgesic activity in vivo and was chosen for further development for the treatment of pain.,CC1=CC=C(C=C1)C12CC1CNC2,,"6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE",DB07999
4692,4692,4692,Not Available,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)C(O)=O,,"METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE",DB04889
4693,4693,4693,Latanoprost is an isopropyl ester prodrug used to treat increased intraocular pressure.,CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1,,Eniluracil,DB01053
4694,4694,4694,Not Available,[H][C@](CS)(CC1=CC=CC=C1)C(O)=O,,4-Nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenyl-1-pentanesulfonate,DB00691
4695,4695,4695,Not Available,[H][C@@](N)(CC)CCC(O)=O,,Nabilone,DB04510
4696,4696,4696,Albutrepenonacog alfa is a recombinant Factor IX fused to recombinant human albumin used to treat hemophilia B.,,YNSGKLEEFVQGNLERECMEEKCSFEEAREVFENTERTTEFWKQYVDGDQCESNPCLNGGSCKDDINSYECWCPFGFEGKNCELDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKLTRAETVFPDVDYVNSTEAETILDNITQSTQSFNDFTRVVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLTPVSQTSKLTRAETVFPDVDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL,Ursodeoxycholic acid,DB08138
4697,4697,4697,Not Available,CC1=C(Br)C(=O)OC2=C(Br)C(O)=CC=C12,,"(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE",DB06684
4698,4698,4698,Simoctocog alfa is an antihemorrhagic agent used for the treatment and prophylaxis of bleeding in patients of all ages with haemophilia A (congenital factor VIII deficiency).,,,Phenyl-uridine-5'-diphosphate,DB15623
4699,4699,4699,Not Available,CC(C)(C)C1=NC(N2CCN(CC2)C2=NC=CC=N2)=C2C=C(C(N)=O)C(N)=NC2=N1,,N-(TRANS-4'-NITRO-4-STILBENYL)-N-METHYL-5-AMINO-PENTANOIC ACID,DB05222
4700,4700,4700,"Dihydroxyacetone phosphate is an important intermediate in lipid biosynthesis and in glycolysis. Dihydroxyacetone phosphate has been investigated for the treatment of Lymphoma, Large-Cell, Diffuse.",OCC(=O)COP(O)(O)=O,,"(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine",DB00933
4701,4701,4701,Not Available,COC1=CC=C2N=C(NS(=O)(=O)C2=C1)C1=C(O)C(=NN(CCC(C)C)C1=O)C1=CC=CC=C1,,AMPCPR,DB04433
4702,4702,4702,Not Available,FC(F)(F)C1=NN=C(N1)SC(=O)C1=CC=C(O1)C#CC1=CC=CC=C1,,Teclistamab,DB01061
4703,4703,4703,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])OC(=C[C@]([H])(O)[C@@]2([H])OS([O-])(=O)=O)C([O-])=O)[C@]([H])(O)[C@@]1([H])NS([O-])(=O)=O,,1-Phenylsulfonamide-3-Trifluoromethyl-5-Parabromophenylpyrazole,DB04719
4704,4704,4704,Not Available,NC(=N)NC(=N)SCC1=CC=CC(=C1)C(F)(F)F,,3-Amino-4-Oxybenzyl-2-Butanone,DB08098
4705,4705,4705,Not Available,COC(=O)C1=C(CCC(=O)NC2=C(O)C=C(OC)C(O)=C2)C(Cl)=C(O)C=C1O,,Testosterone enanthate,DB00098
4706,4706,4706,Daprodustat is a small-molecule hypoxia-inducible factor prolyl hydroxylase inhibitor used for the treatment of anemia in patients with chronic kidney disease.,OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,,Uridine diphosphate glucose,DB07178
4707,4707,4707,"CYC116 is a novel anticancer compound with a unique target profile involving both cell cycle and angiogenesis inhibition mechanisms. In preclinical studies, CYC116 has demonstrated antitumor activity in both solid tumors and hematological cancers.",,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid (4-Sulfamoyl-Phenyl)-Amide",DB07990
4708,4708,4708,A guanine nucleotide containing two phosphate groups esterified to the sugar moiety. [PubChem],NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,PD-166326,DB08011
4709,4709,4709,Not Available,[H]N([H])C(=O)C[C@]1([H])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)N1CCC[C@H]1C(=O)NC([H])(CCCCN)C(=O)NCC(N)=O,,2'-Deoxy-thymidine-beta-L-rhamnose,DB05824
4710,4710,4710,Meropenem is a carbapenem antibiotic used to treat a wide variety of infections in the body.,[H][C@]1([C@@H](C)O)C(=O)N2C(C(O)=O)=C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)[C@H](C)[C@]12[H],,4-methoxybenzenesulfinate,DB02128
4711,4711,4711,Not Available,O[C@H](CC(O)=O)C(O)=O,,Docosanol,DB11181
4712,4712,4712,"Benzthiazide is used to treat hypertension and edema. Like other thiazides, benzthiazide promotes water loss from the body (diuretics). They inhibit Na+/Cl- reabsorption from the distal convoluted tubules in the kidneys. Thiazides also cause loss of potassium and an increase in serum uric acid. Thiazides are often used to treat hypertension, but their hypotensive effects are not necessarily due to their diuretic activity. Thiazides have been shown to prevent hypertension-related morbidity and mortality although the mechanism is not fully understood. Thiazides cause vasodilation by activating calcium-activated potassium channels (large conductance) in vascular smooth muscles and inhibiting various carbonic anhydrases in vascular tissue.",NS(=O)(=O)C1=CC2=C(C=C1Cl)N=C(CSCC1=CC=CC=C1)NS2(=O)=O,,"(4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3 diazepan-2-one",DB09275
4713,4713,4713,"Long acting sulfonamide used in leprosy, urinary, and respiratory tract infections.",COC1=CN=C(NS(=O)(=O)C2=CC=C(N)C=C2)N=C1,,Zardaverine,DB06940
4714,4714,4714,Not Available,[H][C@@](CC1=CC=C(Br)C=C1)(NC(=O)CCCCCCC(=O)NO)C(=O)OC,,(2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine,DB05339
4715,4715,4715,"Pseudoephedrine is an alpha and beta adrenergic agonist used to treat nasal and sinus congestion, as well as allergic rhinitis.",CN[C@@H](C)[C@@H](O)C1=CC=CC=C1,,Betrixaban,DB06249
4716,4716,4716,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE",DB03996
4717,4717,4717,Capromab pendetide is a monoclonal anti-prostate specific membrane antigen antibody used in imaging kits to target radioactive agents to malignant prostate tissue.,,,6-hydroxy-D-norleucine,DB04866
4718,4718,4718,Not Available,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,,"1,6-Fructose Diphosphate (Linear Form)",DB02126
4719,4719,4719,Cambinol is an investigational histone deacetylase inhibitor that may have future use in cancer treatment.,OC1=C(CC2=C(NC(=S)NC2=O)C2=CC=CC=C2)C2=CC=CC=C2C=C1,,Alemtuzumab,DB01951
4720,4720,4720,Not Available,[H][C@@](COC(=O)CCCC)(COP(O)(O)=O)OC=O,,CDP323,DB01176
4721,4721,4721,Darusentan is a selective endothelin ETA receptor antagonist. It is being evaluated as a treatment for congestive heart failure and hypertension.,COC1=CC(OC)=NC(O[C@H](C(O)=O)C(OC)(C2=CC=CC=C2)C2=CC=CC=C2)=N1,,"(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",DB11640
4722,4722,4722,Not Available,[H][C@@](O)(CO)CNC1=CC=CC(=C1)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC=C(F)C=C12,,4-(3-Pyridin-2-Yl-1h-Pyrazol-4-Yl)Quinoline,DB04660
4723,4723,4723,Lindane is an ectoparasiticide and ovicide used in the treatment of Pediculosis humanis capitis (head lice) and Phthirus pubis (crab lice).,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,,Tetrabutylammonium Ion,DB13908
4724,4724,4724,Bictegravir is an integrase inhibitor used to treat HIV infections.,OC1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O,,Methylecgonine,DB11827
4725,4725,4725,"Solifenacin is a muscarinic antagonist with antispasmodic properties used to treat urge urinary incontinence, urgency, and urinary frequency associated with an overactive bladder.",O=C(O[C@H]1CN2CCC1CC2)N1CCC2=CC=CC=C2[C@@H]1C1=CC=CC=C1,,Amiodarone,DB05532
4726,4726,4726,Not Available,C[C@H](N)[C@H](N)CCCCCC(O)=O,,Aranidipine,DB00707
4727,4727,4727,Not Available,[H][C@](C)(\C=C(/C)\C=C\[C@]([H])(N)[C@]([H])(C)C(O)=O)[C@]([H])(CC1=CC=CC=C1)OC,,6-Hydroxypropylthymine,DB06329
4728,4728,4728,Not Available,[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(S)[C@@]([H])(CO)O[C@]1([H])S,,1-Methylcytosine,DB14132
4729,4729,4729,Not Available,CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,,SEP-363856,DB00710
4730,4730,4730,Lymecycline is a tetracycline antibiotic used for the treatment of acne vulgaris and other susceptible infections.,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C,,Astodrimer,DB03939
4731,4731,4731,Not Available,[H]\C(\C(\[H])=C(\C)[C@@]1([H])CN[C@]([H])(C(O)=O)[C@@]1([H])CC(O)=O)=C(\[H])[C@@]([H])(C)C(O)=O,,"N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-L-LEUCINAMIDE",DB12530
4732,4732,4732,Not Available,OC[C@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O,,Phentolamine,DB00771
4733,4733,4733,Not Available,CC(C)(C)NC[C@H](O)COC1=CC=CC2=C1CC(=N2)C#N,,Labetalol,DB14811
4734,4734,4734,"Risankizumab is an interleukin-23 antagonist used to treat plaque psoriasis, psoriatic arthritis, and Crohn's disease in adults.",,QVQLVQSGAEVKKPGSSVKVSCKASGYTFTDQTIHWMRQAPGQGLEWIGYIYPRDDSPKYNENFKGKVTITADKSTSTAYMELSSLRSEDTAVYYCAIPDRSGYAWFIYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,"Dibenzyl (carbonylbis{2,1-hydrazinediyl[(2S)-4-methyl-1-oxo-1,2-pentanediyl]})biscarbamate",DB07938
4735,4735,4735,A conjugate of an anti-glycoprotein non-metastatic melanoma protein B mAb and monomethyl auristatin E for the treatment of melanoma and breast cancer.,,QVQLQESGPGLVKPSQTLSLTCTVSGGSISSFNYYWSWIRHHPGKGLEWIGYIYYSGSTYSNPSLKSRVTISVDTSKNQFSLTLSSVTAADTAVYYCARGYNWNYFDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVERKCCVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPAPIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,6-(Hydroxyethyldithio)-8-(Aminomethylthio)Octanoic Acid,DB07872
4736,4736,4736,"Cephalothin group is a solid. This compound belongs to the 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atom in ring positions 1 and 3 respectively, as well as two double bonds. This substance is known to target beta-lactamase Toho-1 and D-alanyl-D-alanine carboxypeptidase.",[H][C@@](NC(=O)CC1=CC=CS1)(C=O)[C@]1([H])NC(C(O)=O)=C(CC(=O)OC)CS1,,gamma-Aminobutyric acid,DB03070
4737,4737,4737,Not Available,OC1=CC=C(C=C1)C1=C(O)C(=O)C2=C(O1)C=C(O)C=C2O,,Nocodazole,DB07710
4738,4738,4738,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,,(2S)-2-Methyl-3-phenylpropanoic acid,DB04214
4739,4739,4739,Carbocisteine is a expectorant mucolytic used in the relief of respiratory of COPD and other conditions associated with increased mucus viscosity.,N[C@@H](CSCC(O)=O)C(O)=O,,Mecasermin,DB15686
4740,4740,4740,"Methyclothiazide is a diuretic drug used to treat hypertension and edema caused by heart failure, renal conditions, treatment with corticosteroids, and estrogen therapy.",CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,,"1-{2-[2-(2-Methoxyethoxy)Ethoxy]Ethoxy}-4-(1,1,3,3-Tetramethylbutyl)Benzene",DB08353
4741,4741,4741,Amylmetacresol is an antiseptic used to treat infections in the mouth and throat.,CCCCCC1=CC=C(C)C=C1O,,1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE,DB02995
4742,4742,4742,GS-441524 is an experimental nucleoside analog antiviral investigated for its use in the treatment of Ebola and SARS-CoV-2 infections.,NC1=NC=NN2C1=CC=C2[C@@]1(O[C@H](CO)[C@@H](O)[C@H]1O)C#N,,Sodium stibogluconate,DB02024
4743,4743,4743,Not Available,CC1=CC(=CC=C1F)C1=CSC(NC2=CC=C(C(O)=O)C(O)=C2)=N1,,N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA,DB04438
4744,4744,4744,Not Available,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC2=CC=CC=C2C=C1,,"(6S)-1-chloro-3-[(4-fluorobenzyl)oxy]-6-(pyrrolidin-1-ylcarbonyl)pyrrolo[1,2-a]pyrazin-4(6H)-one",DB07567
4745,4745,4745,Not Available,C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C,,Telapristone acetate,DB01615
4746,4746,4746,Glimepiride is a sulfonylurea drug used to treat type 2 diabetes mellitus.,CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O,,"3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL",DB04317
4747,4747,4747,"Desloratadine is a second generation tricyclic antihistamine used to treat seasonal and non seasonal allergic rhinitis, pruritus, and urticaria.",ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1,,Drostanolone,DB01843
4748,4748,4748,Not Available,,,"N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",DB08044
4749,4749,4749,Hypericin is under investigation for the treatment of Cutaneous T-cell Lymphoma.,CC1=C2C3=C(C)C=C(O)C4=C3C3=C5C2=C(C(O)=C1)C(=O)C1=C5C(=C(O)C=C1O)C1=C(O)C=C(O)C(C4=O)=C31,,Guanabenz,DB02969
4750,4750,4750,Not Available,[H][C@](CO)(NC(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC(Cl)=C1)C1=CC(Cl)=C(F)C=C1,,P1-(adenosine-5'-P5-(uridine-5')pentaphosphate,DB13345
4751,4751,4751,Not Available,CCOCCOCCOCCOCCOCCO,,"Antihemophilic factor (recombinant), PEGylated",DB03640
4752,4752,4752,"Medroxyprogesterone acetate is a progestin used as a contraceptive and in the treatment of secondary amenorrhea, abnormal uterine bleeding, pain from endometriosis, endometrial and renal carcinomas, paraphilia in males, and GnRH-dependent precocious puberty.",[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,,Neramexane,DB06809
4753,4753,4753,"25CN-NBOH (N-(2-hydroxybenzyl)-2,5-dimethoxy-4-cyanophenylethylamine) is a newly developed selective 5-HT2A agonist. It has been tested with regard to the head-twitch-response (HTR) model of 5-HT2A activity and effects on locomotion 3. It was discovered in 2014 at the University of Copenhagen.",COC1=CC(C#N)=C(OC)C=C1CCNCC1=C(O)C=CC=C1,,5-Bromothienyldeoxyuridine,DB12128
4754,4754,4754,Not Available,NCCCSC[C@H](N)CO,,"(2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL",DB06852
4755,4755,4755,Ramatroban has been used in trials studying the treatment of Asthma.,[H][C@]1(CCC2=C(C1)C1=CC=CC=C1N2CCC(O)=O)NS(=O)(=O)C1=CC=C(F)C=C1,,Viomycin,DB02329
4756,4756,4756,"Tanaproget (NSP-989) is an investigational non-steroidal progestin. It is a high affinity, high efficacy agonist of the progesterone receptor (PR) with a much more selective binding profile relative to most conventional progestins. Because of this tanaproget may prove to produce fewer side effects in comparison. It is currently in the process of being developed for clinical use as a contraceptive by Ligand Pharmaceuticals. An analog of tanaproget, 4-fluoropropyltanaproget (18F), has been developed as a radiotracer for imaging of the PR in positron emission tomography.",CN1C(=CC=C1C1=CC=C2NC(=S)OC(C)(C)C2=C1)C#N,,AR-9281,DB02810
4757,4757,4757,L-Glutamine is an amino acid commonly found as a component in total parenteral nutrition.,N[C@@H](CCC(N)=O)C(O)=O,,"DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE",DB07100
4758,4758,4758,Cefixime is a third generation cephalosporin used to treat susceptible Gram-negative and Gram-positive bacterial infections.,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O,,Duloxetine,DB04367
4759,4759,4759,Not Available,OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,,Duroquinone,DB00396
4760,4760,4760,"Pivaloyloxymethyl butyrate (AN-9), an acyloxyalkyl ester prodrug of butyric acid (BA), exhibited low toxicity and significant anticancer activity in vitro and in vivo. It shows greater potency than BA at inducing malignant cell differentiation and tumor growth inhibition and has demonstrated more favorable toxicological, pharmacological, and pharmaceutical properties than BA in preclinical studies.",CCCC(=O)OCOC(=O)C(C)(C)C,,BETA-METHYLLACTOSIDE,DB03331
4761,4761,4761,A macrocyclic peptide (BMS-986189) with activity in binding and functional assays comparable to a PD-L1 antibody.,,,"3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",DB02673
4762,4762,4762,"ONT-093 is an orally bioavailable inhibitor of P-glycoprotein (P-gp). In pre-clinical studies, ONT-093 could inhibit P-gp and reverse multidrug resistance at nM concentrations with no effect on paclitaxel pharmacokinetics.",[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1,,Efinaconazole,DB01893
4763,4763,4763,Not Available,OC1=CC=C(C=C1)[N+]([O-])=O,,"(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE",DB11323
4764,4764,4764,Not Available,CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO,,Isosorbide mononitrate,DB11978
4765,4765,4765,Not Available,NC1=CC2=CC=CC=C2C2=CC=CC=C12,,Testosterone cypionate,DB05301
4766,4766,4766,An anticholesteremic agent.,CC(C)C1=CC(OC2=C(Cl)C=C(CC(O)=O)C=C2Cl)=CC=C1O,,"(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDINE",DB07564
4767,4767,4767,Not Available,[H][C@@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1)[C@H](C)CC#CC(C)(C)O,,Phosphonotyrosine,DB01120
4768,4768,4768,Lamivudine is a reverse transcriptase inhibitor used to treat HIV and hepatitis B infections.,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1,,Tyrosinal,DB14500
4769,4769,4769,Not Available,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N2C=O)N1[H],,"3-(4-carbamoyl-1-carboxy-2-methylsulfonyl-buta-1,3-dienylamino)-indolizine-2-carboxylic acid",DB04391
4770,4770,4770,"Carmustine is an alkylating agent used in the treatment of various malignancies, including brain tumours and multiple myeloma, among others.",ClCCNC(=O)N(CCCl)N=O,,Grepafloxacin,DB08611
4771,4771,4771,Efalizumab is a monoclonal anti-CD11a antibody used to treat moderate to severe plaque psoriasis.,,EVQLVESGGGLVQPGGSLRLSCAASGYSFTGHWMNWVRQAPGKGLEWVGIMIHPSDSETRYNQKFKDIRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARIGIYFYGTTYFDYIWGQGTLVTVSS,BMS-564929,DB01197
4772,4772,4772,Not Available,[H]N([H])C1=NC(=O)C2=NC(COP(O)(=O)OP(O)(O)=O)=CN=C2N1[H],,"9,10-Deepithio-9,10-Didehydroacanthifolicin",DB02670
4773,4773,4773,"Salmon calcitonin is a synthetic peptide form of calcitonin used to inhibit bone resorption in the treatment of hypercalcemia, osteoporosis, and Paget's disease.",,CSNLSTCVLGKLSQELHKLQTYPRTNTGSGTP,"5-(5-(4-(4,5-dihydro-2-oxazoly)phenoxy)pentyl)-3-methyl osoxazole",DB08437
4774,4774,4774,Not Available,CCC1=C2C=C3N4C(=CC5=C(C)C(CCC(O)=O)=C6C=C7N8C(=CC(N2[Fe]48N56)=C1C)C(C)=C7CCC(O)=O)C(C=C)=C3C,,2-Amino-3-Hydroxy-3-Phosphonooxy-Propionic Acid,DB06857
4775,4775,4775,Not Available,[O-]P([O-])(=O)CS,,Sipuleucel-T,DB08115
4776,4776,4776,Not Available,[H][C@@](CC)(C=O)[C@@]([H])(CNS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,,"4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid",DB00838
4777,4777,4777,Not Available,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,,L-778123,DB08885
4778,4778,4778,Not Available,CC(C)(C)CC(=O)O\N=C\C1=CC=C(O)C=C1,,Thymidine 5'-triphosphate,DB03862
4779,4779,4779,Butorphanol is an opioid agonist-antagonist used to treat moderate to severe pain.,[H][C@@]12CC3=C(C=C(O)C=C3)[C@]3(CCCC[C@@]13O)CCN2CC1CCC1,,Nirmatrelvir,DB03735
4780,4780,4780,Not Available,CCCCC\C=C/C=C/CCCCCCCCC(O)=O,,Etonogestrel,DB04230
4781,4781,4781,Not Available,[H]\C(CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C,,alpha-D-glucopyranosyl-2-carboxylic acid amide,DB03433
4782,4782,4782,Not Available,CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1,,N-(1-PHENYL-PROPYL)-FORMAMIDE,DB08666
4783,4783,4783,Not Available,CC(C)C(C(O)C(O)=O)C(O)=O,,Lurasidone,DB09286
4784,4784,4784,Atazanavir is an antiviral protease inhibitor used in combination with other antiretrovirals for the treatment of HIV.,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,,Magnesium lactate,DB00948
4785,4785,4785,Not Available,[H]N([C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N=CN=C12)N([H])[C@@H]1CCCC2=CC=CC=C12)C(=O)C1=CC(OC)=CC(OC)=C1,,Diethylstilbestrol,DB07334
4786,4786,4786,(6R)-Folinic acid is a drug used to treat and prevent iron and folic acid deficiency.,[H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CN([H])C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1[H],,"5-hydroxy-4-(7-methoxy-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-2-(3-methylbutyl)-6-phenylpyridazin-3(2H)-one",DB02553
4787,4787,4787,Not Available,[H][C@@]1(CC[C@@]([H])(CC1)C1=CC=CN=C1)N(C1CC1)C(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,,"(1S,3S,5S)-2-{(2S)-2-amino-2-[(1R,3S,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl]acetyl}-2-azabicyclo[3.1.0]hexane-3-carbonitrile",DB00665
4788,4788,4788,Not Available,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)O[C@H]4N4C=CC(=O)NC4=O)[C@@H](O)[C@H]3O)C2=NC=N1,,Staurosporine,DB01285
4789,4789,4789,Not Available,OC(=O)C(=O)CP(O)(O)=O,,Degarelix,DB13437
4790,4790,4790,Not Available,COC(=O)[C@@H]1CS[C@]2(N1C(=O)C1=CC=CC=C21)C1=CC=CC=C1,,1-Hydroxy-2-Amino-3-Cyclohexylpropane,DB02227
4791,4791,4791,Not Available,NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1,,Rindopepimut,DB02452
4792,4792,4792,Testosterone enanthate is an androgen used to treat low or absent testosterone.,[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Methylphenobarbital,DB07673
4793,4793,4793,Not Available,ClC1=CC=C(CO[C@H](CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,Ghavamiol,DB04624
4794,4794,4794,Not Available,[H][C@@]12CCCCN1CCN(C2)C1=CC=C(C=C1)[C@@]1([H])N(CCC2=CC(O)=CC=C12)C1=CC=CC=C1,,Homatropine,DB03932
4795,4795,4795,"Prasugrel is a P2Y12 platelet inhibitor used to reduce risk of thrombotic cardiovascular events in unstable angina or non-ST-elevation myocardial infarction (NSTEMI), and in patients with STEMI when managed with either primary or delayed PCI.",CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1,,Beta-3-Cysteine,DB07458
4796,4796,4796,"Magnesium carbonate is an antacid used for symptomatic relief of heartburn, indigestion, and upset stomach.",[Mg++].[O-]C([O-])=O,,"2-({[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid",DB09532
4797,4797,4797,Constituent of striated muscle and liver. It is used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. [PubChem],C[N+](C)(C)C[C@H](O)CC(O)=O,,Tranylcypromine,DB01959
4798,4798,4798,Omega-3-acid ethyl esters is a mixture of fatty acids used as an adjunct to diet to reduce triglyceride (TG) levels in adult patients with severe hypertriglyceridemia.,,,N-(2-Acetamido)Iminodiacetic Acid,DB08401
4799,4799,4799,Artenimol is an artemisinin derivative and antimalarial agent used in the treatment of uncomplicated Plasmodium falciparum infections Label. It was first authorized for market by the European Medicines Agency in October 2011 in combination with Piperaquine as the product Eurartesim. Artemisinin combination therapy is highly effective against malaria and stongly recommended by the World Health Organization 12.,[H][C@@]1(C)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)O[C@]3([H])O[C@]4(C)CC[C@]1([H])[C@]23OO4,,3-(4-nitrophenyl)-1H-pyrazole,DB09303
4800,4800,4800,"A glucocorticoid with the general properties of corticosteroids. It has been used by mouth in the treatment of all conditions in which corticosteroid therapy is indicated except adrenal-deficiency states for which its lack of sodium-retaining properties makes it less suitable than hydrocortisone with supplementary fludrocortisone. (From Martindale, The Extra Pharmacopoeia, 30th ed, p737)",[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol",DB16267
4801,4801,4801,Not Available,[H][C@](N)(C[C@@]1([H])CO1)C(O)=O,,Glofitamab,DB07083
4802,4802,4802,Trimetrexate is a folate antagonist used for the treatment of moderate-to-severe Pneumocystis carinii pneumonia (PCP) in immunocompromised patients as an alternative therapy in combination with leucovorin.,COC1=CC(NCC2=C(C)C3=C(C=C2)N=C(N)N=C3N)=CC(OC)=C1OC,,Methyl Methylsulfinylmethyl Sulfide,DB05226
4803,4803,4803,Not Available,COC1=C(O)C=C(\C=C\C(O)=O)C=C1,,p-Hydroxymercuribenzoic acid,DB04664
4804,4804,4804,Not Available,C\C(C=C)=C/[C@@]1(C)SC(=O)C(C)=C1O,,L-Eflornithine,DB08510
4805,4805,4805,Dienestrol is a non steroidal estrogen used to treat atrophic vaginitis and kraurosis vulvae.,[H]\C(C)=C(/C(=C(\[H])C)/C1=CC=C(O)C=C1)\C1=CC=C(O)C=C1,,"3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione",DB08300
4806,4806,4806,Palifermin is a form of recombinant human keratinocyte growth factor used to prevent and treat oral mucositis following radiation or chemotherapy.,,MSYDYMEGGDIRVRRLFCRTQWYLRIDKRGKVKGTQEMKNNYNIMEIRTVAVGIVAIKGVESEFYLAMNKEGKLYAKKECNEDCNFKELILENHYNTYASAKWTHNGGEMFVALNQKGIPVRGKKTKKEQKTAHFLPMAIT,Arylomycin A2,DB08082
4807,4807,4807,Not Available,[H][C@@](CC(C)C)(CC(O)=O)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,,"4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE",DB11362
4808,4808,4808,Not Available,CN1CCN(CC1)C1=NC2=C(C=C(C=C2N=C1)C(F)(F)F)C1=CC(O)=CC=C1,,L-2-amino-3-butynoic acid,DB11660
4809,4809,4809,Not Available,[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1C1=NC2=C(N1)N(CCC)C(=O)C(CCC)C2=O,,Tetraethylammonium,DB01002
4810,4810,4810,Grepafloxacin is a fluoroquinolone antibiotic used to treat various gram positive and gram negative bacterial infections.,CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O,,"3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine",DB01670
4811,4811,4811,Trilaciclib is a CDK4 and CDK6 inhibitor to reduce the risk of chemotherapy induced myelosuppression.,CN1CCN(CC1)C1=CN=C(NC2=NC3=C(C=C4N3C3(CCCCC3)CNC4=O)C=N2)C=C1,,Etorphine,DB01939
4812,4812,4812,Not Available,OC(=O)CC(O)=O,,S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE,DB15598
4813,4813,4813,Not Available,N[C@@H](CCCNC(N)=N)C(=O)C1=NC2=CC=CC=C2S1,,Peginterferon alfa-2a,DB07808
4814,4814,4814,Interferon alfa-n3 is a purified form of human interferon used to stimulate the innate antiviral response in the treatment of genital warts due to human papilloma virus.,,CDLPQTHSLGSRRTLMLLAQMRKISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,Interferon alfa-2a,DB04970
4815,4815,4815,Not Available,CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(N)C=C1,,Ribose-1-Phosphate,DB03808
4816,4816,4816,Not Available,CC1=C(CSCC2=CC(=CC=C2)C(O)(O)C(F)(F)F)C(N)=C2C(F)=CC=CC2=N1,,N-[2-(1-Formyl-2-Methyl-Propyl)-1-(4-Piperidin-1-Yl-but-2-Enoyl)-Pyrrolidin-3-Yl]-Methanesulfonamide,DB08516
4817,4817,4817,Not Available,[H][C@]1(C)CCCC[C@]1([H])OC1=C(O)C(=CC=C1)C1=CC2=CC(C(N)=N)=C(F)C=C2N1,,"N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE",DB07955
4818,4818,4818,Not Available,[H][C@]1(O)C[C@]([H])(CC[C@]1([H])C1=CC=C(C=C1)C(=O)NCCCC(O)=O)C1=CC=CC=C1,,"(3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE",DB08492
4819,4819,4819,Not Available,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)C(C)(C)COP(O)(O)=O,,threo-3-methyl-L-aspartic acid,DB00431
4820,4820,4820,Corticotropin is a diagnostic agent used in the screening of patients presumed to have adrenocortical insufficiency.,,SYSMEHFRWGKPVGKKRRPVKVYPDGAEDQLAEAFPLEF,Dacetuzumab,DB05200
4821,4821,4821,Not Available,[H][C@](O)(C\C=C/CCCCC)\C=C\CC(=O)CCCCC(O)=O,,Hydracrylic acid,DB14481
4822,4822,4822,Teriflunomide is a pyrimidine synthesis inhibitor with anti-inflammatory and immunomodulatory properties used to treat patients with the relapsing-remitting form of multiple sclerosis.,C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F,,Lipoic acid,DB05814
4823,4823,4823,"Metoprolol is a beta-blocker used in the treatment of hypertension and angina, and used to reduce mortality due to myocardial infarction.",COCCC1=CC=C(OCC(O)CNC(C)C)C=C1,,Darunavir,DB07071
4824,4824,4824,Not Available,NC(=[NH2+])C1=CC=C(COB2OCCO2)C=C1,,4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline,DB02848
4825,4825,4825,Midodrine is an alpha-adrenergic agonist used to treat orthostatic hypotension.,COC1=CC(C(O)CNC(=O)CN)=C(OC)C=C1,,Ibritumomab tiuxetan,DB06927
4826,4826,4826,Nortriptyline is a tricyclic antidepressant used in the treatment of depression.,CNCCC=C1C2=CC=CC=C2CCC2=CC=CC=C12,,Droxidopa,DB00549
4827,4827,4827,Not Available,[H][C@@](O)(CCCC(O)=O)\C=C\C=C/C\C=C/C\C=C/C\C=C/CC,,Arbutamine,DB04657
4828,4828,4828,"Tixocortol is a corticosteroid used for the symptomatic treatment of rhinitis, pharyngitis, and ulcerative colitis.",[H][C@@]12CC[C@](O)(C(=O)CS)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM",DB01023
4829,4829,4829,Not Available,COC1=C(OC)C=C(C=C1)C1=NN(C2CCC2)C2=NC=NC(N)=C12,,N-Carbamyl-D-Valine,DB01571
4830,4830,4830,Phenoxybenzamine is an alpha adrenergic antagonist used to treat pheochromocytoma and episodes of hypertension and sweating.,CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1,,Loxapine,DB00872
4831,4831,4831,Not Available,[O-][N+](=O)C1=CC=C2NN=CC2=C1,,L-2-amino-4-methoxy-cis-but-3-enoic acid,DB04237
4832,4832,4832,Prevents renal injury after warm & cold ischemia.,CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1,,Cytidine-5'-Diphosphate,DB11793
4833,4833,4833,Not Available,COC1=CC=C(C=C1)N1C=NC2=C1C=C(C=C2)C1=NNC(=S)O1,,Cholecystokinin,DB15772
4834,4834,4834,Not Available,[H][C@@]1(O)C=CC=C(C(=O)CCC(O)=O)[C@@]1([H])C(O)=O,,Tegaserod,DB06709
4835,4835,4835,Not Available,COC1=CC(=CC=C1)C(N)=O,,Evinacumab,DB05166
4836,4836,4836,Not Available,CCCCCCC#CC1=CC=CC=C1\C=C\C(O)=O,,Histidinol,DB12478
4837,4837,4837,"Econazole is a topical antifungal used to treat tinea pedis, tinea cruris, tinea corporis, cutaneous candidiasis and tinea versicolor.",ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,Daridorexant,DB07116
4838,4838,4838,Not Available,[H][C@@](CC(O)=O)(N(C)C(=O)C1=C(NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C=CC(OS(=O)(=O)C2=CC3=CC=CC=C3C=C2)=C1)C(O)=O,,4-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Butyric Acid,DB02989
4839,4839,4839,Not Available,[H][C@@](C)(O)[C@@]([H])(CCC1=CC=CC(Cl)=C1Cl)N1C=NC(=C1)C(N)=O,,GPI-1485,DB00295
4840,4840,4840,Not Available,[H][C@@]1(COC2=CC=C3CCNCC3=C2)COC2=C(SC=C2)C(N)=N1,,Phenoxymethylpenicillin,DB00278
4841,4841,4841,Cyclobenzaprine is a skeletal muscle relaxant that works on the brainstem to treat muscle spasms of local origin.,CN(C)CCC=C1C2=CC=CC=C2C=CC2=CC=CC=C12,,Tetrabenazine,DB00910
4842,4842,4842,Not Available,[H][C@]1(O)C(=CC=C[C@]1([H])OC(=C)C([O-])=O)C([O-])=O,,Cabozantinib,DB03957
4843,4843,4843,Not Available,[H][C@]1(N)CN(C[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=CC(=NC=N1)C1=CC(=CC=C1)S(C)(=O)=O,,N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE,DB09071
4844,4844,4844,"ND7001, a selective PDE2 inhibitor is in clinical trials for the treatment of depression. ND7001 is a solid. Known drug targets of ND7001 including phosphodiesterase 2A, cGMP-stimulated and cGMP-dependent 3',5'-cyclic phosphodiesterase. It is a new type of antidepressant drug with anxiolytic activity. It is the first representative of a new generation of psycho-active compounds potentially devoid of several problems seen with existing treatments.",,,2-Amino-3-Ketobutyric Acid,DB05443
4845,4845,4845,Not Available,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,,Glycerin,DB04103
4846,4846,4846,"Ibudilast is an anti-inflammatory and neuroprotective oral agent which shows an excellent safety profile at 60 mg/day and provides significantly prolonged time-to-first relapse and attenuated brain volume shrinkage in patients with relapsing-remitting (RR) and/or secondary progressive (SP) multiple sclerosis (MS). Ibudilast is currently in development in the U.S. (codes: AV-411 or MN-166), but is approved for use as an antiinflammatory in Japan.",CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C,,alpha-Arbutin,DB08371
4847,4847,4847,Not Available,OC(C1=CC=C(NCC(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F,,Disulfiram,DB03801
4848,4848,4848,"Lorazepam is a short-acting benzodiazepine commonly used to treat panic disorders, severe anxiety, and seizures.",OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2,,Cocaine,DB07304
4849,4849,4849,Ornithine is an amino acid commonly found as a component in total parenteral nutrition.,NCCC[C@H](N)C(O)=O,,"S-Adenosyl-1,8-Diamino-3-Thiooctane",DB04107
4850,4850,4850,Not Available,[H][C@@]1(CO)O[C@@]([H])(O[C@@]2([H])[C@]([H])(O)CO[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide,DB08304
4851,4851,4851,Apalutamide is an androgen receptor inhibitor used to treat non-metastatic castration-resistant and metastatic castration-sensitive prostate cancer.,CNC(=O)C1=CC=C(C=C1F)N1C(=S)N(C(=O)C11CCC1)C1=CC(=C(N=C1)C#N)C(F)(F)F,,Racepinephrine,DB07519
4852,4852,4852,Pinaverium is a spasmolytic agent used for the symptomatic treatment of irritable bowel syndrome (IBS) and functional disorders of the biliary tract.,COC1=C(OC)C=C(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)C(Br)=C1,,N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide,DB02223
4853,4853,4853,Not Available,CCCCCCCCCCC1=C(O)C(=O)NC1=O,,(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE,DB04288
4854,4854,4854,Not Available,OC(C([O-])=O)C([O-])=O,,Omeprazole,DB02822
4855,4855,4855,"Rofecoxib is a COX-2 inhibitor NSAID used to treat osteoarthritis, rheumatoid arthritis, acute pain, primary dysmenorrhea, and migraine attacks.",CS(=O)(=O)C1=CC=C(C=C1)C1=C(C(=O)OC1)C1=CC=CC=C1,,Heptanamide,DB06997
4856,4856,4856,Not Available,[H]N([H])C1=[N+](C)C=NC2=C1N([H])C=N2,,"2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE",DB00365
4857,4857,4857,"2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carboxylic acid meso-2,5-dihydroxy-cyclopent-3-enyl ester is a solid. This compound belongs to the naphthalenecarboxylic acids and derivatives. These are compounds containing a napthalene moiety with a ring carbon which bears a carboxylic acid group or a derivative. This drug targets the protein neocarzinostatin.",[H][C@]1(O)C=C[C@@]([H])(O)[C@]1([H])OC(=O)C1=C(O)C=CC2=C(C)C=C(OC)C=C12,,Virginiamycin M1,DB08186
4858,4858,4858,Not Available,NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O,,Gevokizumab,DB08756
4859,4859,4859,Not Available,N[C@@H](CC(=O)N1CCCNC(=O)C1CC(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,,Canakinumab,DB12565
4860,4860,4860,Not Available,OC(CC(O)=O)CC(O)=O,,"Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine",DB03464
4861,4861,4861,Not Available,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5N6C(=CC7=C(C=C)C(C)=C8C=C1N2[Co]6(N34)N78)C(C)=C5C=C,,2-(2f-Benzothiazolyl)-5-Styryl-3-(4f-Phthalhydrazidyl)Tetrazolium Chloride,DB02210
4862,4862,4862,Not Available,CC(C)C1=C(CC2=CC=CC=C2)N(COCC2=CC=CC=C2)C(=O)NC1=O,,"(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-2-[[(S)-(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]amino]-1,3-thiazol-4-one",DB06346
4863,4863,4863,"NP-50301 is an ophthalmic therapeutic eye drop treating post-menopausal Dry Eye Syndrome (DES). It is being developed by Nascent Pharmaceuticals. It is estimated that about 30% of postmenopausal women suffer symptoms of DES, which accounts for over 12 million women in the U.S. The majority of sufferers of DES are postmenopausal women; and clinical research around the world has suggested the benefits of both topical and systemic estrogen therapy in the treatment of DES in this population.",,,Odevixibat,DB03741
4864,4864,4864,"Rivanicline (TC-2403, RJR-2403, (E)-metanicotine) is a partial agonist at neuronal nicotinic acetylcholine receptors, binding primarily to the α4β2 subtype. It was originally developed as a potential treatment for Alzheimer's disease for its nootropic effects but has also been found to inhibit the production of Interleukin-8. It has subsequently been developed as a potential anti-inflammatory treatment for ulcerative colitis. Rivanicline also has stimulant and analgesic actions which are thought due to increased noradrenaline release.",CNCC\C=C\C1=CN=CC=C1,,Rimexolone,DB03135
4865,4865,4865,Not Available,OC1=CC(=CC=C1)C1=CC(=O)NS1(=O)=O,,(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID,DB04307
4866,4866,4866,Not Available,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N([H])C(=O)C1=CC=CC=C1,,Iratumumab,DB09061
4867,4867,4867,Not Available,CCCC1=C(OCCCOC2=CC=C(OCC(O)=O)C=C2)C=CC(C(C)=O)=C1O,,2-{[Formyl(Hydroxy)Amino]Methyl}-4-Methylpentanoic Acid,DB04485
4868,4868,4868,"Chondroitin sulfate is a glycosaminoglycan considered as a symptomatic slow-acting drug for osteoarthritis (SYSADOA).1 The SYSADOA status suggested a pain relief and increased joint mobility after a relative long regular administration, as well as a long-lasting effect after the end of the treatment. Chondroitin sulfate is composed of alternating 1,3-N-acetyl-β-d-galactosamine and 1,4-β-d-glucuronic acid units which bear 4-O- and/or 6-O-sulfations at the N-acetylgalactosamine units disposed of in specific patterns. Depending on the predominating disaccharide unit, it will present different biological activities.2 Chondroitin sulfate is sold as an OTC dietary supplement in North America and it is a prescription drug under the EMA in Europe.4",,,1-3 Sugar Ring of Pentamannosyl 6-Phosphate,DB00224
4869,4869,4869,"Desoxycorticosterone pivalate is a mineralocorticoid hormone and an analog of desoxycorticosterone. It is white, odorless, and stable in air. It is practically insoluble in water, sparingly soluble in acetone, slightly soluble in methanol, ether and vegetable oils. Federal (U.S.A.) law restricts this drug to use by or on the order of a licensed veterinarian.",[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)COC(=O)C(C)(C)C,,2-deoxy-2-fluoro-α-D-glucose,DB05464
4870,4870,4870,Not Available,CCC1=C(C(N)=NC(N)=N1)C1=CC=C(NCC2=CC(F)=CC(F)=C2)C=C1,,"2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One",DB04097
4871,4871,4871,Not Available,[H][C@](CCCCC(N)=N)(C=O)[C@@]1([H])CCC[C@]1([H])O,,Magnesium sulfate,DB02096
4872,4872,4872,Not Available,OC1=CC=CC(=C1O)C1=C(Cl)C=CC=C1,,Alpha-N-Dichloroacetyl-P-Aminophenylserinol,DB08675
4873,4873,4873,Not Available,OCC(=O)C(O)=O,,Cariprazine,DB01097
4874,4874,4874,Idursulfase is a purified lysosomal enzyme used as a replacement therapy for Hunter syndrome in pediatric and adult patients.,,SETQANSTTDALNVLLIIVDDLRPSLGCYGDKLVRSPNIDQLASHSLLFQNAFAQQAVCAPSRVSFLTGRRPDTTRLYDFNSYWRVHAGNFSTIPQYFKENGYVTMSVGKVFHPGISSNHTDDSPYSWSFPPYHPSSEKYENTKTCRGPDGELHANLLCPVDVLDVPEGTLPDKQSTEQAIQLLEKMKTSASPFFLAVGYHKPHIPFRYPKEFQKLYPLENITLAPDPEVPDGLPPVAYNPWMDIRQREDVQALNISVPYGPIPVDFQRKIRQSYFASVSYLDTQVGRLLSALDDLQLANSTIIAFTSDHGWALGEHGEWAKYSNFDVATHVPLIFYVPGRTASLPEAGEKLFPYLDPFDSASQLMEPGRQSMDLVELVSLFPTLAGLAGLQVPPRCPVPSFHVELCREGKNLLKHFRFRDLEEDPYLPG,Ancrod,DB00210
4875,4875,4875,"TPMPA ((1,2,5,6-tetrahydropyridine-4-yl)methylphosphinic acid) is a selective antagonist of GABAC receptors (also known as GABA-ρ or GABAA-ρ receptors).2 GABAC receptors are found primarily in the retina, although they may be present in other tissues, including the hippocampus, spinal cord, superior colliculus, pituitary and the gut.3,4 TPMPA is used as a pharmacological probe for the investigation of GABAC receptor function.4",CP(O)(=O)C1=CCNCC1,,Cinazepam,DB04772
4876,4876,4876,"Lansoprazole is a proton pump inhibitor used to help gastrointestinal ulcers heal, to treat symptoms of gastroesophageal reflux disease (GERD), to eradicate Helicobacter pylori, and to treat hypersecretory conditions such as Zollinger-Ellison Syndrome.",CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1,,Apstatin,DB05294
4877,4877,4877,Not Available,[H][C@@]1(N)CCCN(C1)C1=NC2=C(N1CC1=CC=CC=C1C#N)C(=O)N(C)C(=O)N2C,,Loprazolam,DB06791
4878,4878,4878,Not Available,CCN(CC)CCN(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C2=C(CCC2)C(=O)N=C1SCC1=CC=C(F)C=C1,,4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine,DB07791
4879,4879,4879,Not Available,[H]N1C(=O)N(C=C(CO)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,,Meglutol,DB00495
4880,4880,4880,Not Available,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])N,,4-(1H-IMIDAZOL-1-YL)PHENOL,DB03726
4881,4881,4881,"A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues. [PubChem]",NOCC(O)=O,,Lacosamide,DB05419
4882,4882,4882,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(=O)OCC1=CC=CC=C1)[C@@]([H])(O)C(O)=O,,4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM,DB03348
4883,4883,4883,Not Available,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)C(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,Silodosin,DB01919
4884,4884,4884,Not Available,OP(O)(=O)C(NC1=CC=C(Cl)C=N1)P(O)(O)=O,,BOS172722,DB11397
4885,4885,4885,Not Available,[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@]([H])(F)[C@@]([H])(O)[C@]1([H])O,,Secukinumab,DB06951
4886,4886,4886,Not Available,COCCOCCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C,,N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE,DB02039
4887,4887,4887,Not Available,CCC1=C(C(N)=NC(N)=N1)C1=CC=C2OC(C)(C)C(=O)N(CCCOC)C2=C1,,Vigabatrin,DB00615
4888,4888,4888,Not Available,NCCCCC1=CC=CC=C1,,Ampicillin,DB03800
4889,4889,4889,Synthetic antimicrobial related to oxolinic acid and nalidixic acid and used in urinary tract infections.,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12,,Hydroxyethylcysteine,DB07574
4890,4890,4890,"AT2220 is an experimental, oral therapy for the treatment of Pompe disease and belongs to a class of molecules known as pharmacological chaperones. It is a small molecule designed to act as a pharmacological chaperone that specifically binds, stabilizes, and facilitates the proper folding and trafficking of α-glucosidase (GAA). GAA to the lysosome, where it can perform its normal function. AT2220 has been shown to increase GAA activity in cell lines derived from Pompe patients and in transfected cells expressing misfolded forms of GAA.",,,"(2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL",DB06439
4891,4891,4891,Ponatinib is a kinase inhibitor used to treat patients with various types of chronic myeloid leukemia (CML).,CN1CCN(CC2=CC=C(NC(=O)C3=CC(C#CC4=CN=C5C=CC=NN45)=C(C)C=C3)C=C2C(F)(F)F)CC1,,Osimertinib,DB07973
4892,4892,4892,Not Available,NC(=N)C1=CC(CN2CCN(CC2=O)S(=O)(=O)C2=CC3=C(S2)C=C(Cl)C=C3)=CC=C1,,Perospirone,DB08412
4893,4893,4893,Not Available,CC1(C)CC(=O)C2=C(N)N=CN=C2C1,,Cinoxacin,DB00778
4894,4894,4894,Not Available,ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1,,Mifepristone,DB11937
4895,4895,4895,Cefmetazole is a cephalosporin antibiotic used to treat a variety of bacterial infections.,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O,,"6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-2-ONE",DB07089
4896,4896,4896,Not Available,[H][C@@](NC(=O)CC1=CC=CS1)(C(O)=O)C1=N[C@]([H])(C(O)=O)C(=C)CS1,,17alpha-Estriol,DB01690
4897,4897,4897,Not Available,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1NC(=O)CCC(O)=O,,"6-Hydroxy-5-undecyl-4,7-benzothiazoledione",DB02594
4898,4898,4898,Tolazamide is a sulfonylurea used in the treatment of non insulin dependent diabetes mellitus.,CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CCCCCC1,,Propranolol,DB07547
4899,4899,4899,Not Available,[Cu].C1CNCCNCCCNCCNC1,,"4-(Aminosulfonyl)-N-[(2,4,6-Trifluorophenyl)Methyl]-Benzamide",DB02549
4900,4900,4900,Lactic acid is an emollient and keratolytic used agent in various cosmetic products and used as an additive in various pharmaceutical products for its antibacterial properties.,CC(O)C(O)=O,,ADL 10-0101,DB09318
4901,4901,4901,Not Available,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],,1-(2-Fluorobenzyl)-3-Butyl-8-(N-Acetyl-4-Aminobenzyl)-Xanthine,DB04549
4902,4902,4902,Not Available,[H][C@](C)(O)[C@]([H])(NC(=O)C1=CC=C(C=C1)C#CC1=CC=C(CN2CCOCC2)C=C1)C(=O)NO,,ATG003,DB14489
4903,4903,4903,Not Available,C[C@@H](NCCCC[C@H](N)C(O)=O)C(O)=O,,ABT-341,DB08232
4904,4904,4904,Conestat alfa is a recombinant C1INH used for the treatment of acute attacks of hereditary angioedema (HAE) due to C1 esterase inhibitor deficiency in adults.,,,Tifuvirtide,DB01925
4905,4905,4905,Not Available,[H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O,,"1,8-Di-Hydroxy-4-Nitro-Xanthen-9-One",DB04473
4906,4906,4906,Not Available,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"(3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol",DB04385
4907,4907,4907,Lurasidone is an atypical antipsychotic used to treat schizophrenia and depressive episodes associated with bipolar I disorder.,[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@@H]1CCCC[C@H]1CN1CCN(CC1)C1=NSC3=CC=CC=C13)C2=O,,Amyl Nitrite,DB01773
4908,4908,4908,Pegcetacoplan is a complement inhibitor indicated in the treatment of adults with paroxysmal nocturnal hemoglobinuria.,,,Motexafin gadolinium,DB11541
4909,4909,4909,Not Available,[H]N([C@@H]1CN([H])CCC[C@H]1OC(=O)C1=CC=C(C=C1)C(=O)C1=C(O)C=CC(OC)=C1)C(=O)C1=CC([C@@H](C)CC)=C(O)C=C1,,Trazeolide,DB01695
4910,4910,4910,Not Available,OC(=O)CCN1C2=C(C=C(O)C=C2)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1,,Eritoran,DB03958
4911,4911,4911,Not Available,,,Verapamil,DB00455
4912,4912,4912,"A potent androgenic metabolite of testosterone. Dihydrotestosterone (DHT) is generated by a 5-alpha reduction of testosterone. Unlike testosterone, DHT cannot be aromatized to estradiol therefore DHT is considered a pure androgenic steroid.",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,,"N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide",DB02342
4913,4913,4913,Amodiaquine is an antimalarial drug.,CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1,,Difluocortolone,DB04325
4914,4914,4914,"Aldoxorubicin, an antineoplastic agents, is an albumin-binding prodrug of doxorubicin.",COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(\CO)=N\NC(=O)CCCCCN4C(=O)C=CC4=O)C(O)=C3C(=O)C2=CC=C1,,"(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime",DB04529
4915,4915,4915,Not Available,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)C(=O)CO)C(=O)OCC1=CN=CC=C1,,Bardoxolone,DB08199
4916,4916,4916,Not Available,[H][C@](N)(CC(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(N)=O)CC1=CC=CC=C1F,,(S)-3-phenyllactic acid,DB06185
4917,4917,4917,Not Available,[H][C@@](CC1=CC=CC=C1)(NS(N)(=O)=O)C(O)=O,,Alpha-D-Galactose-1-Phosphate,DB09033
4918,4918,4918,"Idoxuridine is a pyrimidine analog antiviral used for the treatment of viral eye infections, including herpes simplex keratitis.",OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(I)C(=O)NC1=O,,5'-O-(L-Prolylsulfamoyl)adenosine,DB03028
4919,4919,4919,Not Available,OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1,,Vilanterol,DB06976
4920,4920,4920,Bevacizumab is a monoclonal anti-vascular endothelial growth factor antibody used in combination with antineoplastic agents for the treatment of many types of cancer.,,DIQMTQSPSSLSASVGDRVTITCSASQDISNYLNWYQQKPGKAPKVLIYFTSSLHSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYSTVPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,2-Amino-3-Oxo-4-Sulfo-Butyric Acid,DB13897
4921,4921,4921,Voglibose is an alpha-glucosidase inhibitor indicated in the management of postprandial blood glucose in patients with type II diabetes.,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,,Z-Val-Ala-Asp fluoromethyl ketone,DB08908
4922,4922,4922,Not Available,[H][C@@](CO\N=C(/CCC(O)=O)C(O)=O)(NC(=O)COC1=CC=CC=C1)C(O)=O,,Isopentyl Pyrophosphate,DB16446
4923,4923,4923,"Gabapentin is an anticonvulsant medication used in the management of peripheral neuropathic pains, postherpetic neuralgia, and partial-onset seizures.",NCC1(CC(O)=O)CCCCC1,,Uridine-5'-diphosphate-2-deoxy-2-fluorogalactose,DB13879
4924,4924,4924,"Methoxy arachidonyl fluorophosphonate, commonly referred as MAFP, is an irreversible active site-directed enzyme inhibitor that inhibits nearly all serine hydrolases and serine proteases. It inhibits phospholipase A2 and fatty acid amide hydrolase with special potency, displaying IC50 values in the low-nanomolar range.",[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC[P@](F)(=O)OC,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate",DB07974
4925,4925,4925,Flotufolastat F-18 is a radiopharmaceutical diagnostic agent used in PET imaging to visualize PSMA-positive lesions in men with prostate cancer with suspected metastasis or recurrence.,CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C,,Candesartan cilexetil,DB01705
4926,4926,4926,Not Available,[Cu+].CCC1=C(C)\C2=C\C3=C(CC)C(C)=C(\C=C4/N=C(/C=C5\[N-]\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C,,N-Ethylmaleimide,DB02480
4927,4927,4927,Potent and selective histone methyltransferase EZH2 inhibitor.,COC1=C(CNC(=O)C2=C(C)N([C@H](C)C3CCN(CC(F)(F)F)CC3)C3=CC=CC=C23)C(=O)NC(C)=C1,,"(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID",DB03296
4928,4928,4928,Not Available,[H]N([C@@H]1[C@@H](O)C[C@@](OC2=CC3=C(C=C2)C(C)=CC(=O)O3)(O[C@@]1([H])[C@H](O)[C@H](O)CO)C(O)=O)C(C)=O,,Open Form of 2'-Deoxy-Ribofuranose-5'-Phosphate,DB04470
4929,4929,4929,Trimethadione is an anticonvulsant agent indicated for the control of treatment-refractory petit mal seizures.,CN1C(=O)OC(C)(C)C1=O,,4-PIPERIDIN-4-YLBUTANAL,DB16371
4930,4930,4930,Vapreotide is a synthetic octapeptide somatostatin analog. It was being studied for the treatment of cancer.,,,3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER,DB00487
4931,4931,4931,Not Available,NC1=NC=CC=C1OCC1=CC=CC=C1,,Celiprolol,DB15227
4932,4932,4932,Not Available,NC(N)=NNC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1,,Dorzolamide,DB07987
4933,4933,4933,An androgen receptor modulator.,C[C@](O)(COC1=CC=C(Cl)C(F)=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F,,1-[4-(hydroxymethyl)phenyl]guanidine,DB00725
4934,4934,4934,Topiramate is an anticonvulsant drug used in the control of epilepsy and in the prophylaxis and treatment of migraines.,[H][C@@]12CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@]3([H])[C@]1([H])OC(C)(C)O2,,6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE,DB07441
4935,4935,4935,Not Available,CC[N+]1=C(C)C(C(=O)OC(C)C)=C(C2=CC=CC=C2Cl)C(C(O)=O)=C1C(O)=O,,(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one,DB16098
4936,4936,4936,Bosentan is a dual endothelin receptor antagonist used to treat pulmonary arterial hypertension.,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1,,"1,2-diacyl-sn-glycero-3-phosphoinositol",DB11811
4937,4937,4937,Not Available,NS(=O)(=O)C1=CC=C(CNC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,,Debromohymenialdisine,DB05969
4938,4938,4938,Not Available,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,beta-D-Ribopyranose,DB05321
4939,4939,4939,Sennosides is a laxative used to treat constipation.,OCC1OC(OC2=C3C(=O)C4=C(C=C(C=C4O)C(O)=O)C(C4C5=CC=CC(OC6OC(CO)C(O)C(O)C6O)=C5C(=O)C5=C4C=C(C=C5O)C(O)=O)C3=CC=C2)C(O)C(O)C1O,,Arotinoid acid,DB03264
4940,4940,4940,PF-00477736 has been used in trials studying the treatment of Neoplasms.,CN1C=C(C=N1)C1=C2C=NNC(=O)C3=C2C(N1)=CC(NC(=O)[C@H](N)C1CCCCC1)=C3,,Sodium tetradecyl sulfate,DB01109
4941,4941,4941,Not Available,O=C1OC2=CC=CC=C2C=C1,,Salmeterol,DB11590
4942,4942,4942,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=C(C=C(OC)C(OS(N)(=O)=O)=C4)[C@@]3([H])CC[C@]12C)OS(N)(=O)=O,,Denosumab,DB00608
4943,4943,4943,"Blinatumomab is an antineoplastic antibody used to treat CD19-positive B-cell precursor acute lymphoblastic leukemia (ALL) in relapsed and refractory patients, as well as those in first or second complete remission with minimal residual disease (MRD).",,DIQLTQSPASLAVSLGQRATISCKASQSVDYDGDSYLNWYQQIPGQPPKLLIYDASNLVSGIPPRFSGSGSGTDFTLNIHPVEKVDAATYHCQQSTEDPWTFGGGTKLEIKGGGGSGGGGSGGGGSQVQLQQSGAELVRPGSSVKISCKASGYAFSSYWMNWVKQRPGQGLEWIGQIWPGDGDTNYNGKFKGKATLTADESSSTAYMQLSSLASEDSAVYFCARRETTTVGRYYYAMDYWGQGTTVTVSSGGGGSDIKLQQSGAELARPGASVKMSCKTSGYTFTRYTMHWVKQRPGQGLEWIGYINPSRGYTNYNQKFKDKATLTTDKSSSTAYMQLSSLTSEDSAVYYCARYYDDHYCLDYWGQGTTLTVSSVEGGSGGSGGSGGSGGVDDIQLTQSPAIMSASPGEKVTMTCRASSSVSYMNWYQQKSGTSPKRWIYDTSKVASGVPYRFSGSGSGTSYSLTISSMEAEDAATYYCQQWSSNPLTFGAGTKLELKHHHHHH,Abarelix,DB07018
4944,4944,4944,Not Available,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C=C2C[C@@H](O)CC[C@]12C,,L-Leucyl-Hydroxylamine,DB02838
4945,4945,4945,"Hexylresorcinol is an ingredient used to relieve irritation, pain, and prevent infection.",CCCCCCC1=C(O)C=C(O)C=C1,,1-thio-beta-D-glucopyranose,DB03582
4946,4946,4946,Filgotinib is a Janus kinase (JAK) 1 selective inhibitor used to treat cases of rheumatoid arthritis that are unresponsive to conventional treatments.,O=C(NC1=NN2C(C=CC=C2C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)=N1)C1CC1,,Romiplostim,DB01079
4947,4947,4947,"Elafin is a human protein that is produced naturally in the skin, lung and breast, protecting the respective tissue from destruction by the immune system. Elafin’s ability to block the activity of destructive enzymes that are involved in inflammatory reactions makes it a highly promising active compound for the treatment of inflammatory lung diseases or severe reperfusion injuries occurring after heart attacks, serious injuries and organ transplantation. The excellent tolerability of Elafin in human subjects was demonstrated in a Phase I clinical single dose escalating study.",,,2-(1H-pyrazol-3-yl)-1H-benzimidazole,DB04188
4948,4948,4948,"Sulconazole is a topical antifungal agent used for the treatment of tinea cruris, tinea corporis, and tinea versicolor caused by susceptible fungal strains.",ClC1=CC=C(CSC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1,,"3-[(4-fluorophenyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide",DB07852
4949,4949,4949,"Tertomotide is under investigation in clinical trial NCT01223209 (A Study, Combination, Immunologic Study of LTX-315 as adjunct to tertomotide in Patients Following Curative Surgery for Carcinoma). It is a peptide vaccine that activates the immune system so that it recognizes and kills cancer cells. It is being developed by Pharmexa A/S.",,,S-Hexylglutathione,DB00235
4950,4950,4950,Not Available,CCCCCCCCCCS(O)(=O)=O,,[4-({[5-Benzyloxy-1-(3-Carbamimidoyl-Benzyl)-1h-Indole-2-Carbonyl]-Amino}-Methyl)-Phenyl]-Trimethyl-Ammonium,DB08712
4951,4951,4951,Not Available,CCCCCCP(O)(=O)OC[C@@H](C)CC1=CC=CC=C1,,Lactic acid,DB04144
4952,4952,4952,Not Available,CCN1C(NC2=CC=CC=C2Cl)=NC2=C1N=C(NC1=C(F)C=CC=C1F)N=C2,,"Mdl 101,146",DB02071
4953,4953,4953,"MIV-701 is a selective, potent inhibitor of the protease Cathepsin K. It is developed for the treatment of osteoporosis.",,,2-Aminopropanedioic Acid,DB00994
4954,4954,4954,Not Available,C[C@@]12OO[C@@](CCC(O)=O)(C3=C1C=CC=C3)C1=C2C=CC=C1,,12-Bromododecanoic Acid,DB06021
4955,4955,4955,Not Available,NC1=CC=CC(=C1)C(O)=O,,Furosemide,DB03211
4956,4956,4956,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=NC2=C1N=C(NCC1=CC=CC3=C1C=CC=C3)NC2=O,,"1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DB03594
4957,4957,4957,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CO)N1C=NC2=C(N)N=C(F)N=C12,,Becaplermin,DB14845
4958,4958,4958,Not Available,O=C1OCC\C1=C/NC1=CC=CC=C1,,Thionicotinamide-Adenine-Dinucleotide,DB14004
4959,4959,4959,A cyclic endoperoxide intermediate produced by the action of CYCLOOXYGENASE on ARACHIDONIC ACID. It is further converted by a series of specific enzymes to the series 2 prostaglandins. [PubChem],[H][C@@](CCCCC)(OO)\C=C\[C@@]1([H])[C@@]2([H])C[C@]([H])(OO2)[C@]1([H])C\C=C/CCCC(O)=O,,Propacetamol,DB01865
4960,4960,4960,Not Available,[H]N([H])[C@@H](CCC(=O)N([H])[C@@H](CS(O)(=O)=O)C(=O)N([H])CC(O)=O)C(O)=O,,"PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE",DB01623
4961,4961,4961,"Lasofoxifene is a non-steroidal 3rd generation selective estrogen receptor modulator (SERM) that selectively binds to both ERα and ERβ with high affinity. It is a naphthalene derivative marketed for prevention and treatment of osteoporosis and for the treatment of vaginal atrophy. It was initially developed as Oporia by Pfizer as a treatment for postmenopausal osteoporosis and vaginal atrophy, in which were both rejected for approval by FDA. Later Fablyn was developed as a result of a research collaboration between Pfizer and Ligand Pharmaceuticals with a newly submitted New Drug Application in 2008. It gained approval by European Commission in March 2009. Ligand Pharmaceuticals signed a license agreement with Sermonix Pharmaceuticals for the development and commercialization of oral lasofoxifene in the USA.",[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1,,Brexpiprazole,DB05889
4962,4962,4962,Not Available,C[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O,,"(2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID",DB03087
4963,4963,4963,Not Available,C\C(N)=N/CCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O,,Meclocycline,DB03541
4964,4964,4964,Not Available,N#CC1=C2N=C(NC3=CC=CC=C3)N=C(NCCC3=CN=CN3)N2N=C1,,Alprenolol,DB02557
4965,4965,4965,A natural product that has been considered as a growth factor for some insects. [PubChem],C[C@@H](O)[C@@H](O)C1=CN=C2N=C(N)NC(=O)C2=N1,,"(4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione",DB07767
4966,4966,4966,Tasosartan is a long-acting angiotensin II (AngII) receptor blocker. Its long duration of action has been attributed to its active metabolite enoltasosartan. It is used to treat patients with essential hypertension.,CC1=NC(C)=C2CCC(=O)N(CC3=CC=C(C=C3)C3=CC=CC=C3C3=NNN=N3)C2=N1,,Alcaftadine,DB02431
4967,4967,4967,Not Available,C=C1\C(=C/C=C2\CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])C#CC#CC(C)(O)C)C[C@](O)([H])C[C@@]1(O)[H],,Ezogabine,DB05219
4968,4968,4968,Not Available,OC(=O)C1=CC=C(C=C1)C1=CNC2=C1C=C(C=N2)C1=CC=CC=C1,,Silver,DB06549
4969,4969,4969,Not Available,OC(=O)C1=C(OC(=C1C(O)=O)C1=CC=CC=C1)C1=CC=CC=C1,,2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE,DB03181
4970,4970,4970,Not Available,CC1=NOC(CCCOC2=C(C)C=C(C=C2C)N2N=NC(C)=N2)=C1,,"4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID",DB01263
4971,4971,4971,Timolol is a non-selective beta adrenergic blocker used in the treatment of elevated intraocular pressure in ocular hypertension or open angle glaucoma.,[H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1,,Gibberellic acid,DB07407
4972,4972,4972,"Bupropion is a norepinephrine and dopamine reuptake inhibitor used in the treatment of major depressive disorder (MDD), seasonal affective disorder (SAD), and as an aid to smoking cessation.",CC(NC(C)(C)C)C(=O)C1=CC(Cl)=CC=C1,,Lumacaftor,DB08597
4973,4973,4973,Not Available,O=C1NC2=C(C=CC=C2)C=C1,,Metiamide,DB08049
4974,4974,4974,"CHF 4227 is a new selective estrogen receptor modulator (SERM). The compound has a high receptor affinity and has shown promising efficacy in the prevention of bone loss in animal models of osteoporosis. Additionally, the compound has shown no uterotrophic activity suggesting a potential therapeutic advantage over drugs normally used in postmenopausal therapy.",,,5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID,DB04543
4975,4975,4975,MSX-122 has been used in trials studying the treatment of Solid Tumors.,C(NC1=NC=CC=N1)C1=CC=C(CNC2=NC=CC=N2)C=C1,,SB220025,DB12582
4976,4976,4976,Not Available,[H][C@]12CS[C@]([H])(CCCCC(O)=O)[C@@]1([H])NC(=O)N2,,Oprelvekin,DB03156
4977,4977,4977,Not Available,[H]N([H])C(\N=C(N([H])[H])N([H])[H])=N/C1=C(Cl)C=CC(=C1)C(F)(F)F,,Drospirenone,DB06903
4978,4978,4978,"INCB-9471 is a novel, orally available CCR5 antagonist that is part of a new class of drugs to treat HIV/AIDS. It is a potent, selective inhibitor of the HIV-1 virus.",CCO[C@@H]1CC2=CC(=CC=C2[C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C(F)(F)F,,Vicagrel,DB00436
4979,4979,4979,Not Available,[H][C@](CC1=CC=C(O)C=C1)(N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(O)=O,,4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID,DB08690
4980,4980,4980,Lemborexant is a dual orexin antagonist indicated for the treatment of sleep-onset and/or sleep maintenance insomnia.,CC1=NC=C(OC[C@]2(C[C@H]2C(=O)NC2=NC=C(F)C=C2)C2=CC=CC(F)=C2)C(C)=N1,,Nitrilotriacetic acid,DB08314
4981,4981,4981,Ferrous ascorbate is a medication used to treat iron-deficiency anemia.,[Fe++].[H][C@](O)(CO)[C@@]1([H])OC(=O)C(O)=C1O.[H][C@](O)(CO)[C@@]1([H])OC(=O)C([O-])=C1[O-],,Atrasentan,DB03596
4982,4982,4982,Migalastat is an alpha-galactosidase A chaperone used for the treatment of Fabry disease in patients with an amenable galactosidase alpha gene (GLA) variant.,OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,,Desmoteplase,DB00035
4983,4983,4983,Not Available,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O,,Gestrinone,DB00121
4984,4984,4984,Fruquintinib is a VEGF receptor inhibitor used to treat metastatic colorectal cancer.,CNC(=O)C1=C(C)OC2=CC(OC3=NC=NC4=CC(OC)=C(OC)C=C34)=CC=C12,,Inosine,DB11856
4985,4985,4985,Not Available,NC(=O)CC(O)=O,,XL418,DB04303
4986,4986,4986,Not Available,NCC1CCN(CC2=CC3=C(NC(=C3)C3=CC4=CC=CC=C4NC3=O)C=C2)CC1,,Ceftobiprole,DB06995
4987,4987,4987,Not Available,CCC(=O)NS(=O)(=O)C1=CC(NC2=NC=C(F)C(NC3=CC=C(OCC#C)C=C3)=N2)=CC=C1C,,"4-acetamido-2,4-didexoy-D-glycero-beta-D-galacto-octopyranosylphosphonic acid",DB04220
4988,4988,4988,Not Available,O=C1NC(=O)C(N2CCN(CC2)C2=NC=CC=N2)(C(=O)N1)C1=CC=C(OC2=CC=CC=C2)C=C1,,D-Serine,DB16694
4989,4989,4989,Not Available,NC1=NC=NC2=C1NC=C2,,Corticosterone,DB07633
4990,4990,4990,Not Available,CN1C=NN=C1SC1=NC(C(=O)NC2=NC(C)=CS2)=C(SC2=CC=C(F)C=C2)C=C1,,Risperidone,DB09052
4991,4991,4991,Teduglutide is a glucagon-like peptide-2 (GLP-2) analog used to treat patients with Short Bowel Syndrome (SBS) who require parenteral nutritional support.,,HGDGSFSDEMNTILDNLAARDFINWLIQTKITD,3-Hydroxybutyryl-Coenzyme A,DB03064
4992,4992,4992,"Cisatracurium is a skeletal muscle relaxant used to facilitate tracheal intubation, muscle relaxation in surgery, or mechanical ventilation.",COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC)=C(OC)C=C1)[N@@+](C)(CCC(=O)OCCCCCOC(=O)CC[N@@+]1(C)CCC3=C(C=C(OC)C(OC)=C3)[C@H]1CC1=CC(OC)=C(OC)C=C1)CC2,,Nicotine,DB00763
4993,4993,4993,"Cyclic adenosine monophosphate (cAMP, cyclic AMP or 3'-5'-cyclic adenosine monophosphate) is a molecule that is important in many biological processes; it is derived from adenosine triphosphate (ATP).",NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,,Ketoconazole,DB07663
4994,4994,4994,Oxycodone is an opioid used in the management of moderate to severe pain.,COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C,,4-[(METHYLSULFONYL)AMINO]BENZOIC ACID,DB01234
4995,4995,4995,Not Available,[H][C@@](C)(C[C@]([H])(N)C(O)=O)C([O-])=O,,Estradiol,DB01082
4996,4996,4996,Not Available,OC[C@H]1OC(OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,,Lecozotan,DB03176
4997,4997,4997,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](\C=C\CN([H])C(=O)C4=C(O)C(O)=CC(=C4)[N+]([O-])=O)[C@@H](O)[C@H]3O)C2=NC=N1,,3-Oxo-Pentadecanoic Acid,DB04973
4998,4998,4998,Not Available,[H][C@]1(CNC(=O)NC2=CC=C(C=C2)C(=O)OC)CC[C@]([H])(N1)C(=O)N1CCC[C@@]1([H])CN,,N-Carboxymethionine,DB01236
4999,4999,4999,Not Available,CCC1=NC(N)=NC(N)=C1C1=CC2=C(C=C1)C1=CC=CC=C1N2CCCOC,,GDP-alpha-D-mannuronic acid,DB01592
5000,5000,5000,Not Available,C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1,,3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME,DB03355
5001,5001,5001,Not Available,[H][C@@](N)(COC1=CN=CC(\C=C\C2=CC=NC=C2)=C1)CC1=CNC2=C1C=CC=C2,,Afamelanotide,DB02970
5002,5002,5002,Not Available,[H][C@@]1(N(CCCSC1(C)C)S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,,PLX-4720,DB08308
5003,5003,5003,"Cinnarizine is a drug used for the management of labyrinthine disorder symptoms, including vertigo, tinnitus, nystagmus, nausea, and vomiting.",C(\C=C\C1=CC=CC=C1)N1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,,L-histidinol phosphate,DB04658
5004,5004,5004,"Elacridar (GW120918) is an oral bioenhancer that targets multiple drug resistance in tumors. In many cases, the appearance of multidrug resistance in cancer is due to a change in expression of protein inhibitors. As of August 2007 elacridar was not listed on GSK's product pipeline. Development is assumed to have been discontinued.",COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O,,Tetradecyl hydrogen sulfate (ester),DB04518
5005,5005,5005,Not Available,C1=CC2=CC=C3C=CC=NC3=C2N=C1,,Aprindine,DB15171
5006,5006,5006,Not Available,CC[C@@H](OP(O)(O)=O)C(O)=O,,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5- TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE",DB09121
5007,5007,5007,Not Available,CCCCCCCCCCOCO,,Lutetium Lu 177 dotatate,DB08670
5008,5008,5008,Not Available,CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(O)=O,,"(10R)-10-formyl-5,8,10-trideazafolic acid",DB02153
5009,5009,5009,Ipilimumab is a human cytotoxic T-lymphocyte antigen 4 (CTLA-4) blocking antibody used to treat metastatic or unresectable melanoma.,,QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Tirabrutinib,DB07434
5010,5010,5010,Oxymorphone is an opioid analgesic used in the management of moderate-to-severe pain and for analgesic therapies.,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CCC2=O,,Sapropterin,DB04478
5011,5011,5011,Not Available,FC1=CC=C(C=C1)C(=O)C1=CC=NC=C1,,"6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-1(18),3(19),4,6,14,16-HEXAENE 13,13-DIOXIDE",DB00951
5012,5012,5012,Fenoterol is a beta-2 adrenergic agonist and bronchodilator used for the symptomatic treatment of asthma.,CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1,,2-heptyl-4-hydroxyquinoline N-oxide,DB02992
5013,5013,5013,Not Available,CCC1=CC=C(O1)\C=C1/SC(N[C@H](C(O)=O)C2=CC=C(F)C=C2)=NC1=O,,4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE,DB07107
5014,5014,5014,Not Available,[H][C@@](N)(CC1=CN=CN1)C(=O)NC1=CC=C2C=CC=CC2=C1,,(R)-4-Nitrostyrene oxide,DB07353
5015,5015,5015,Not Available,CC(=O)O[C@@H]1C[C@@H](CO)O[C@H]1N1C(=O)SC2=CN=C(N)N=C12,,Lidocaine,DB01103
5016,5016,5016,Colchicine is an alkaloid used to treat gout and Familial Mediterranean Fever as well as prevent major cardiovascular events.,COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O,,R-1487,DB03117
5017,5017,5017,Not Available,[H][C@@]1(CCCCC(=O)NCCCCCC(O)=O)SC[C@]2([H])NC(=O)N[C@]12[H],,D-Mannose 1-phosphate,DB04079
5018,5018,5018,Not Available,[H][C@]1(COC(=O)CCCCCCC)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,,"4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID",DB02961
5019,5019,5019,Not Available,NCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl,,Bortezomib,DB02436
5020,5020,5020,Not Available,CCCC\N=C(/N)NO,,Buspirone,DB01725
5021,5021,5021,Not Available,[H][C@]1(CCCN1C(=O)[C@]1([H])CCCN1)B(O)O,,Hexafluronium,DB00087
5022,5022,5022,Ipratropium is an anticholinergic drug used in the control of symptoms related to bronchospasm in chronic obstructive pulmonary disease (COPD).,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)C1=CC=CC=C1)[N+]2(C)C(C)C,,Diisopropylphosphono Group,DB07333
5023,5023,5023,Tirzepatide is a dual GIP and GLP-1 receptor agonist used for the treatment of type II diabetes in adults as an adjunct to diet and exercise.,,YXEGTFTSDYSIXLDKIAQKAFVQWLIAGGPSSGAPPPS,Imidazole-Derived Cellobiose,DB12034
5024,5024,5024,Vorapaxar is a platelet aggregation inhibitor used to reduce thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or peripheral arterial disease (PAD).,[H][C@@]12C[C@]3([H])C[C@@H](CC[C@@]3([H])[C@H](\C=C\C3=CC=C(C=N3)C3=CC(F)=CC=C3)[C@]1([H])[C@@H](C)OC2=O)NC(=O)OCC,,"2-amino-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",DB04172
5025,5025,5025,Phenolphthalein is a drug used for symptomatic relief of constipation and bowel cleansing prior to medical procedures.,OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1,,Ademetionine,DB07102
5026,5026,5026,Not Available,CC(C)CCO[P@](O)(=O)OP(O)(O)=O,,Phosphonoacetaldehyde,DB07598
5027,5027,5027,"Tanespimycin, manufactured by Conforma Therapeutics is under development as a small molecule inhibitor of heat shock protein 90 (HSP90). It is developed for the treatment of several types of cancer, solid tumors or chronic myelogenous leukemia.",[H]/C1=C([H])/[C@]([H])(OC)[C@@]([H])(OC(O)=N)C(C)=C([H])[C@]([H])(C)[C@@]([H])(O)[C@]([H])(C[C@]([H])(C)CC2=C(NCC=C)C(=O)C=C(N=C(O)\C(C)=C\1/[H])C2=O)OC,,Etravirine,DB03491
5028,5028,5028,"Telmisartan is an ARB used to treat hypertension, diabetic nephropathy, and congestive heart failure.",CCCC1=NC2=C(C=C(C=C2C)C2=NC3=CC=CC=C3N2C)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(O)=O,,"(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol",DB04166
5029,5029,5029,Maraviroc is a CCR5 co-receptor antagonist used with other antiretroviral medications to treat CCR5-tropic HIV-1 infection.,CC(C)C1=NN=C(C)N1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)C1=CC=CC=C1,,"10-Propargyl-5,8-Dideazafolic Acid",DB05085
5030,5030,5030,Oleandrin has been used in trials studying the treatment of Lung Cancer and Chemotherapeutic Agent Toxicity.,CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O,,Colforsin,DB00483
5031,5031,5031,Not Available,[H][C@@](NC1=C(C=CC(C)=C1)C(C)=O)(C(N)=O)C1=C(Cl)C=CC=C1Cl,,N-(biphenyl-4-ylsulfonyl)-D-leucine,DB01686
5032,5032,5032,Not Available,OC1=CC=C(C=C1)C1=CC=C2C(C=CC(O)=C2Cl)=C1,,"4-O-{4,6-O-[(1S)-1-Carboxyethylidene]-β-D-mannopyranosyl}-D-glucopyranuronic acid",DB16236
5033,5033,5033,Not Available,NCC=N,,Benzoylformic Acid,DB01785
5034,5034,5034,Not Available,CCOC1=NC(=CC=C1C#N)C(=O)NCC1=CC(OC)=CC=C1OC,,Gallium maltolate,DB06757
5035,5035,5035,"MB07811 is the first of a novel class of product candidates discovered by Metabasis designed to lower serum cholesterol and triglycerides. MB07811, a small molecule that is administered orally, has been extensively studied preclinically and is currently undergoing clinical testing. MB07811 combines a novel thyroid hormone receptor agonist with the Company's novel HepDirect liver targeting prodrug technology. The combination of selectivity for the beta form of the receptor, liver targeting and other structural characteristics that limit extra-hepatic activity is designed to provide significant efficacy while avoiding side effects associated with activation of thyroid hormone receptors outside the liver.",,,"4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid",DB03320
5036,5036,5036,Not Available,NC(=N)C1=CC=C(CO)C=C1,,Pipendoxifene,DB14012
5037,5037,5037,Linzagolix is a selective gonadotropin-releasing hormone (GnRH) receptor antagonist used for the symptomatic treatment of uterine fibroids.,COC1=C(COC2=C(OC)C=C(F)C(=C2)N2C(=O)NC3=CSC(C(O)=O)=C3C2=O)C(F)=C(F)C=C1,,4-(4-FLUOROBENZYL)PIPERIDINE,DB07324
5038,5038,5038,Not Available,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](CO)COC1=CC=C(C=C1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O,,N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide,DB14527
5039,5039,5039,Not Available,[H][C@@](CCCC)(NC(=O)OCC1(CC2=CC=C(F)C=C2)CCC1)C(=O)C(=O)NC1=CC=NN1,,Filanesib,DB06446
5040,5040,5040,Gentamicin is an aminoglycoside used to treat a wide variety of aerobic infections in the body.,[H][C@@]1(CN)CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)N.[H][C@]1(CC[C@@H](N)[C@@H](O[C@]2([H])[C@@H](N)C[C@@H](N)[C@H](O[C@@]3([H])OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1)C(C)NC,,(R)-N-methyl-N-2-propynyl-1-indanamine,DB03769
5041,5041,5041,Doripenem is an antibiotic of the penem class used to treat complicated intra-abdominal and urinary tract infections.,[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O,,"N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE",DB04729
5042,5042,5042,Dabigatran etexilate is an anticoagulant used for the prevention of venous thromboembolic events or stroke in patients with recent elective hip or knee replacement surgery and atrial fibrillation.,CCCCCCOC(=O)\N=C(\N)C1=CC=C(NCC2=NC3=C(C=CC(=C3)C(=O)N(CCC(=O)OCC)C3=NC=CC=C3)N2C)C=C1,,"2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE",DB07772
5043,5043,5043,"Chlordiazepoxide is a benzodiazepine used to treat the withdrawal symptoms of acute alcoholism, to treat preoperative anxiety, and to treat anxiety over a short term period.",CNC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2)=[N+]([O-])C1,,Lorazepam,DB15100
5044,5044,5044,Vitamin E is an antioxidant vitamin used in many skin creams and multivitamin preparations.,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,,Rociverine,DB00935
5045,5045,5045,Podofilox is a topical agent used for the treatment of external genital warts and perianal warts.,[H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(OC)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@H]2O,,AER001,DB11595
5046,5046,5046,Lasmiditan is an oral 5HT1F agonist used for the acute treatment of migraine headache with or without aura.,CN1CCC(CC1)C(=O)C1=CC=CC(NC(=O)C2=C(F)C=C(F)C=C2F)=N1,,Guaiacol,DB11217
5047,5047,5047,"A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.",[Al],,Lapachone,DB00159
5048,5048,5048,"Amisulpride is a dopamine D2 receptor antagonist used in the treatment of acute and chronic schizophrenia, and in the prevention and treatment of postoperative nausea and vomiting in adults.",CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1OC)S(=O)(=O)CC,,Butalbital,DB08449
5049,5049,5049,Not Available,CCCCCCCC\C=C\CCCCCCCC(N)=O,,(2e)-N-Allyl-4-{[3-(4-Bromophenyl)-5-Fluoro-1-Methyl-1h-Indazol-6-Yl]Oxy}-N-Methyl-2-Buten-1-Amine,DB09265
5050,5050,5050,Not Available,O[C@@H](CS(O)(=O)=O)C(O)=O,,WRR-112,DB06637
5051,5051,5051,Not Available,ClC1=CC(Cl)=CC(Cl)=C1,,Cortisone acetate,DB02378
5052,5052,5052,Not Available,COC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1,,"(3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine",DB06201
5053,5053,5053,Dofetilide is a class III antiarrhythmic drug used for the maintenance of normal sinus rhythm and cardioversion in cases of atrial fibrillation and atrial flutter.,CN(CCOC1=CC=C(NS(C)(=O)=O)C=C1)CCC1=CC=C(NS(C)(=O)=O)C=C1,,Doxepin,DB01750
5054,5054,5054,"VB4-845 is studied in the treatment of certain types of head and neck cancer. VB4-845 is made by linking a monoclonal antibody fragment to a toxic protein that may kill cancer cells. VB4-845 is a fusion protein containing humanized scFv specific for the epithelial cell adhesion molecule, Ep-CAM, a tumor cell-associated target highly expressed on carcinoma cells of epithelial origin and a truncated portion of Pseudomonas exotoxin A.",,HHHHHHDIQMTQSPSSLSASVGDRVTITCRSTKSLLHSNGITYLYWYQQKPGKAPKLLIYQMSNLASGVPSRFSSSGSGTDFTLTISSLQPEDFATYYCAQNLEIPRTFGQGTKVELKRATPSHNSHQVPSAGGPTANSGTSGSEVQLVQSGPGLVQPGGSVRISCAASGYTFTNYGMNWVKQAPGKGLEWMGWINTYTGESTYADSFKGRFTFSLDTSASAAYLQINSLRAEDTAVYYCARFAIKGDYWGQGTLLTVSSEFGGAPEFPKPSTPPGSSGLEGGSLAALTAHQACHLPLETFTRHRQPRGWEQLEQCGYPVQRLVALYLAARLSWNQVDQVIRNALASPGSGGDLGEAIREQPEQARLALTLAAAESERFVRQGTGNDEAGAASADVVSLTCPVAAGECAGPADSGDALLERNYPTGAEFLGDGGDVSFSTRGTQNWTVERLLQAHRQLEERGYVFVGYHGTFLEAAQSIVFGGVRARSQDLDAIWRGFYIAGDPALAYGYAQDQEPDARGRIRNGALLRVYVPRSSLPGFYRTGLTLAAPEAAGEVERLIGHPLPLRLDAITGPEEEGGRLETILGWPLAERTVVIPSAIPTDPRNVGGDLDPSSIPDKEQAISALPDYASQPGKPPHHHHHHKDEL,Cyclohexanepropanoic acid,DB00262
5055,5055,5055,Not Available,[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,,"(2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE",DB08774
5056,5056,5056,Pinazepam is a benzodiazepine indicated in the treatment of anxiety and severe insomnia.,ClC1=CC2=C(C=C1)N(CC#C)C(=O)CN=C2C1=CC=CC=C1,,"1-(2-{[(6-amino-2-methylpyridin-3-yl)methyl]amino}ethyl)-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,4-dihydropyrazin-2-ol",DB01259
5057,5057,5057,Enalapril is a prodrug of an ACE inhibitor used to treat hypertension and congestive heart failure.,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O,,Buclizine,DB01962
5058,5058,5058,Latanoprostene bunod is a prostaglandin analog used to reduce ocular hypertension or treat open-angle glaucoma.,O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1,,DIETHYL 4-METHOXYPHENYL PHOSPHATE,DB00398
5059,5059,5059,Not Available,[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,,Dolutegravir,DB03732
5060,5060,5060,Not Available,OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O,,Diprenorphine,DB00704
5061,5061,5061,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(Cl)[NH+]=CN=C23)[C@]([H])(O)[C@]1([H])O,,"4-(2-amino-1,3-thiazol-4-yl)phenol",DB08587
5062,5062,5062,Not Available,N[C@@H](CC1=CC=CC2=C1C=CC=C2)C(O)=O,,4-Carbamoyl-4-{[6-(Difluoro-Phosphono-Methyl)-Naphthalene-2-Carbonyl]-Amino}-Butyric Acid,DB07721
5063,5063,5063,Trimetazidine is a piperazine derivative indicated as an adjunct therapy in symptomatic treatment of stable angina pectoris.,COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1,,Canagliflozin,DB08244
5064,5064,5064,"Putrescine is a toxic diamine formed by putrefaction from the decarboxylation of arginine and ornithine. Putrescine is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. Known drug targets of putrescine include putrescine-binding periplasmic protein, ornithine decarboxylase, and S-adenosylmethionine decarboxylase proenzyme.",NCCCCN,,Dimethyl Propionate Ester Heme,DB03982
5065,5065,5065,Not Available,CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C,,4-Sulfonamide-[1-(4-Aminobutane)]Benzamide,DB02818
5066,5066,5066,"Tamibarotene is a novel synthetic retinoid for acute promyelocytic leukaemia (APL). Tamibarotene is currently approved in Japan for treatment of recurrent APL, and is undergoing clinical trials in the United States.",CC1(C)CCC(C)(C)C2=C1C=CC(NC(=O)C1=CC=C(C=C1)C(O)=O)=C2,,Pyrimethamine,DB00108
5067,5067,5067,Not Available,OCCOCN1C=C(CC2=CC=CC=C2)C(=O)NC1=O,,"4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one",DB00633
5068,5068,5068,Not Available,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,,Decylsulfonic acid,DB14580
5069,5069,5069,Irosustat has been investigated for the treatment of Metastatic Breast Cancer and Locally Advanced Breast Cancer.,NS(=O)(=O)OC1=CC=C2C3=C(CCCCC3)C(=O)OC2=C1,,Axitinib,DB08799
5070,5070,5070,Not Available,NC1=NC(=O)N(C=C1F)[C@H]1O[C@@H](CO)C=C1,,ISOPENTENYL PYROPHOSPHATE,DB02169
5071,5071,5071,Not Available,BrC1=C2N=C(C=C(NCC3=CC=CN=C3)N2N=C1)C1=CC=CC=C1,,Leniolisib,DB07046
5072,5072,5072,Arotinoid acid is a retinoic acid analog which acts as a selective RAR agonist.,C\C(=C/C1=CC=C(C=C1)C(O)=O)C1=CC=C2C(=C1)C(C)(C)CCC2(C)C,,"(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol",DB07299
5073,5073,5073,Not Available,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,,Sodium carbonate,DB01307
5074,5074,5074,Not Available,CC1=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)C(=O)NC1=O,,Saccharin,DB01580
5075,5075,5075,Dronabinol is a synthetic delta-9-THC used in the treatment of anorexia and weight loss in HIV patients as well as nausea and vomiting in cancer chemotherapy.,[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=C2C(O)=CC(CCCCC)=C1,,2-[(3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl)-Imino]-5-Phosphono-Pent-3-Enoic Acid,DB02069
5076,5076,5076,"Levodopa is a dopamine precursor used in the management of Parkinson's disease, often in combination with carbidopa, as well as other conditions associated with parkinsonism.",N[C@@H](CC1=CC(O)=C(O)C=C1)C(O)=O,,Dexlansoprazole,DB00294
5077,5077,5077,Pizotifen is a serotonin and tryptamine antagonist indicated for migraine prophylaxis.,CN1CCC(CC1)=C1C2=C(CCC3=CC=CC=C13)SC=C2,,Dexrazoxane,DB04466
5078,5078,5078,Parachlorophenol is an antibacterial agent used to prevent infections in root canals.,OC1=CC=C(Cl)C=C1,,4-[(5-methoxy-2-methylphenoxy)methyl]pyridine,DB05838
5079,5079,5079,Idarubicin is an anthracycline antineoplastic agent used to treat acute myeloid leukemia (AML) in adults.,C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O,,Procaine,DB01370
5080,5080,5080,Loxapine is a antipsychotic used for the treatment of schizophrenia.,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=C1C=C(Cl)C=C2,,Daglutril,DB00443
5081,5081,5081,Nabilone is a synthetic delta-9-THC used in the treatment of anorexia and weight loss in HIV patients as well as nausea and vomiting in cancer chemotherapy.,[H][C@@]12CC(=O)CC[C@@]1([H])C(C)(C)OC1=CC(=CC(O)=C21)C(C)(C)CCCCCC,,Imipenem,DB07647
5082,5082,5082,"Selpercatinib is a RET receptor tyrosine kinase inhibitor for the treatment of RET-driven non-small cell lung cancer, medullary thyroid cancer, and thyroid cancer in appropriate patient populations.",COC1=NC=C(CN2C3CC2CN(C3)C2=CC=C(C=N2)C2=CC(OCC(C)(C)O)=CN3N=CC(C#N)=C23)C=C1,,"4-[3-Hydroxyanilino]-6,7-Dimethoxyquinazoline",DB02263
5083,5083,5083,Not Available,[H]C(C(O)=O)=C(C)C(\[H])=C(/C)C[C@]([H])(C)CCCC[C@@]([H])(O)[C@@]([H])(CO)C=O,,3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid,DB08480
5084,5084,5084,Vitamin C is a vitamin used to correct vitamin C deficiency and to increase the intestinal absorption of iron.,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,,"4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one",DB07109
5085,5085,5085,Not Available,OC1=CC=C(C=C1)C1(CCCCC1)C1=CC=C(O)C=C1,,"N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE",DB14498
5086,5086,5086,Not Available,C1CC1NC1=NC(=CC=N1)C1=C2C=CC=NN2N=C1,,"(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE",DB08779
5087,5087,5087,Not Available,OC(=O)C1=C(C(O)=O)C(C(O)=O)=C(C(O)=O)C(C(O)=O)=C1C(O)=O,,Calyculin A,DB04072
5088,5088,5088,Not Available,CC(C)(C)OC(=O)NCC1=CNC2=C1C(=O)NC(N)=N2,,1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE,DB07023
5089,5089,5089,"Incadronate, or YM-175,6 is a nitrogen containing bisphosphonate. Along with being investigated to treat hypercalcemia of malignancy,7 it has also been investigated in the treatment of myeloma, leukemia, and other cancers.1,3,2,6",OP(O)(=O)C(NC1CCCCCC1)P(O)(O)=O,,Moxetumomab pasudotox,DB04160
5090,5090,5090,"Methocarbamol is a CNS depressant indicated with rest, physical therapy and other treatments to control the discomfort associated with various acute musculoskeletal conditions.",COC1=C(OCC(O)COC(N)=O)C=CC=C1,,Eluxadoline,DB15669
5091,5091,5091,Cetrorelix is a synthetic peptide antagonist of gonadotropin releasing hormone used to prevent luteinizing hormone surges in women undergoing assisted reproduction therapy.,CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,,"4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DB02490
5092,5092,5092,Cortivazol is under investigation in clinical trial NCT00804895 (Cluster Headache Cortivazol Injection (CHCI)).,C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1,,Avalglucosidase alfa,DB05253
5093,5093,5093,Propyl alcohol is an antiseptic and disinfectant used in a variety of clinical and domestic settings.,CCCO,,"N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE",DB08657
5094,5094,5094,A sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. Acetohexamide has been discontinued in the US market.,CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCCCC1,,Durvalumab,DB06871
5095,5095,5095,Levocabastine is a selective histamine H1 receptor antagonist indicated for the management of seasonal allergic conjunctivitis symptoms.,C[C@@H]1CN(CC[C@]1(C(O)=O)C1=CC=CC=C1)[C@H]1CC[C@](CC1)(C#N)C1=CC=C(F)C=C1,,Calcium phosphate dihydrate,DB11726
5096,5096,5096,Not Available,CC(C)OP(C)(=O)OC(C)C,,Tanaproget,DB09037
5097,5097,5097,Not Available,[H][C@](CO)(CCN1C=CC2=C1C=C(NC(=O)NCC1=CC=CC=C1)C=C2)N1C=NC(=C1)C(N)=O,,Somatostatin,DB08037
5098,5098,5098,"Zosuquidar is a compound of antineoplastic drug candidates currently under development. It is now in ""Phase 3"" of clinical tests in the United States. Its action mechanism consists of the inhibition of P-glycoproteins; other drugs with this mechanism include tariquidar and laniquidar.",[H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F,,4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid,DB00903
5099,5099,5099,Recombinant alpha 1-antitrypsin is a medication indicated to treat patients with chronic alpha1-proteinase inhibitor deficiency.,,,Acebutolol,DB06096
5100,5100,5100,Not Available,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])CC(=O)CC[C@]12C,,"2-Methylpentane-1,2,4-Triol",DB05201
5101,5101,5101,Not Available,OCCOCN1C=C(SC2=CC=CC=C2)C(=O)NC1=O,,2-Amino-4-(Hydroxymethyl-Phosphinyl)Butanoic Acid,DB02465
5102,5102,5102,Not Available,CCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=CC=C2)=C1F,,Vindesine,DB04359
5103,5103,5103,"Olanzapine is an antipsychotic drug used in the management of schizophrenia, bipolar 1 disorder, and agitation associated with these disorders.",CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2,,Dapoxetine,DB00924
5104,5104,5104,Bemiparin is an ultra-low molecular weight heparin (ultra-LMWH) used to prevent thromboembolism following surgery and extracorporeal clotting during dialysis.,,,"(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE",DB04640
5105,5105,5105,Emivirine has been used in trials studying the treatment of HIV Infections.,CCOCN1C(=O)NC(=O)C(C(C)C)=C1CC1=CC=CC=C1,,Oxymorphone,DB13161
5106,5106,5106,Prinaberel is an estrogen receptor beta agonist.,OC1=CC2=C(OC(=N2)C2=CC=C(O)C(F)=C2)C(C=C)=C1,,Ecallantide,DB06674
5107,5107,5107,Not Available,C[C@H](C(=O)\N=C1/C=C(N=N1)C1CC1)C1=CC=C(C=C1)N1CCNC1=O,,5-fluoro-beta-L-gulosyl fluoride,DB02724
5108,5108,5108,"A metabolite of T3 and T4 thyroid hormones; promoted for hyperlipidemia, localized lipodystrophy, and obesity. Tiratricol has been used in trials studying the treatment of Allan-Herndon-Dudley Syndrome.",OC(=O)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1,,Eflornithine,DB06788
5109,5109,5109,Choline salicylate is an anti-inflammatory pain reliever agent that is related to aspirin. It is used to decrease swelling and to treat mild-moderate pain. It is used to treat arthritis in both children and adults. This medicine can also be used for fever 9.,C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O,,Methylthioninium,DB07223
5110,5110,5110,Not Available,C[P@](O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,,L-N(omega)-nitroarginine-(4R)-amino-L-proline amide,DB07768
5111,5111,5111,Benzonatate is a non-narcotic oral antitussive drug used to suppress coughing.,CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,,Olinvacimab,DB08123
5112,5112,5112,Not Available,[H][C@@](COC(=O)CCC)(COP(O)(O)(O)O)OC(=O)CCC,,1-Naphthyl-L-alanine,DB00031
5113,5113,5113,"This drug is classified as a reversible inhibitor of monoamine oxidase A enzyme (also known as a RIMA drug). It was developed and is currently used as an antidepressant in Russia. Its chemical structure is similar to metralindole, and it also shares pharmacological properties with this drug.",CC1=CC=C2N3CCNC4CCCC(=C34)C2=C1,,S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,DB01776
5114,5114,5114,NGX267 is a muscarinic agonist. It is developed for the treatment of Alzheimer’s disease and has shown the potential to both reduce symptoms and slow disease progression.,CC[C@@H]1SC2(CCN(C)CC2)NC1=O,,Fomivirsen,DB07021
5115,5115,5115,Not Available,[H][C@]1(O[C@H](C[C@H](O)[C@H]1NC(C)=O)P(O)(O)=O)[C@H](O)[C@H](O)CO,,Bezafibrate,DB08318
5116,5116,5116,"Clonidine is an alpha-2 adrenergic agonist used to treat hypertension and severe cancer pain, among other conditions, and to treat withdrawal symptoms from various substances. It is also used to aid in the diagnosis of pheochromocytoma and to prevent migraines.",ClC1=CC=CC(Cl)=C1NC1=NCCN1,,"(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE",DB01430
5117,5117,5117,Not Available,OC(=O)C1=CC=CC=C1C(O)=O,,(R)-styrene oxide,DB07131
5118,5118,5118,Zafirlukast is a leukotriene receptor antagonist used for prophylaxis and chronic treatment of asthma.,COC1=CC(=CC=C1CC1=CN(C)C2=C1C=C(NC(=O)OC1CCCC1)C=C2)C(=O)NS(=O)(=O)C1=CC=CC=C1C,,"1-(3-bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline",DB11064
5119,5119,5119,"BMS-564929 is an investigational therapeutic agent built to be a selective androgen receptor modulator (SARM). So far, it has been developed by Bristol-Myers Squibb for the symptomatic treatment of andropause.",[H][C@@]1(O)CCN2C(=O)N(C(=O)[C@]12[H])C1=C(C)C(Cl)=C(C=C1)C#N,,Clidinium,DB08635
5120,5120,5120,Pentostatin is an adenosine deaminase inhibitor used to treat hairy cell leukemia.,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O,,"N-(dibenzo[b,d]thiophen-3-ylsulfonyl)-L-valine",DB01909
5121,5121,5121,Not Available,COC1=CC=C(C=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,,5-Thio-a/B-D-Mannopyranosylamine,DB07606
5122,5122,5122,Not Available,COC1=CC=C2C=CC(=CC2=C1C1=CN(N=C1)S(C)(=O)=O)C(N)=N,,[1-(3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)2-phenyl-ethyl]-carbamic acid pyridin-4-ylmethyl ester,DB08250
5123,5123,5123,Not Available,CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC1=NC=CS1,,Quinagolide,DB14062
5124,5124,5124,Not Available,,,Odesivimab,DB08542
5125,5125,5125,A non-benzodiazepine that is used in the management of anxiety. It has been suggested for use in the treatment of muscle spasm.,CN1C(C2=CC=C(Cl)C=C2)S(=O)(=O)CCC1=O,,Aniracetam,DB05192
5126,5126,5126,Esketamine is a NMDA receptor antagonist used for treatment-resistant depression.,CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl,,Indacaterol,DB08118
5127,5127,5127,Not Available,OC1=CC=C(CCNC(=O)\C=C\C2=CC(O)=C(O)C=C2)C=C1,,Palmitic Acid,DB03869
5128,5128,5128,Avapritinib is a selective tyrosine kinase inhibitor being investigated for the treatment of multidrug resistant gastrointestinal tumors.,CN1C=C(C=N1)C1=CN2N=CN=C(N3CCN(CC3)C3=NC=C(C=N3)[C@@](C)(N)C3=CC=C(F)C=C3)C2=C1,,"(2s)-2-[(2,4-Dichloro-Benzoyl)-(3-Trifluoromethyl-Benzyl)-Amino]-3-Phenyl-Propionic Acid",DB07836
5129,5129,5129,Valine is an amino acid commonly found as a component of total parenteral nutrition.,CC(C)[C@H](N)C(O)=O,,"4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide",DB07357
5130,5130,5130,An amino acid analogue and antibiotic derived from the bacterium Streptomyces alanosinicus with antimetabolite and potential antineoplastic activities.,N[C@@H](CN(O)N=O)C(O)=O,,Glucosamine 4-Phosphate,DB00682
5131,5131,5131,"Flavin mononucleotide is a form of vitamin B2 used to restore riboflavin in anemia, migraine, alcoholism, and hyperhomocysteinemia.",CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2,,Bretylium,DB11275
5132,5132,5132,"Grapiprant, also known as AT-001 and CJ-023, is a drug from the piprant class. These molecules were derived from acylsulfonamide and are characterized to be a novel series of para-N-acylaminomethylbenzoic acid known to be prostaglandin receptor antagonists.7 This type of molecules is currently in development for veterinary patients.1 This class of drugs was defined in 2013 by the World Health Organization.11",CCC1=NC2=C(C)N=C(C)C=C2N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1,,4-hydroxybenzoyl-CoA,DB07264
5133,5133,5133,Not Available,NC1=NC2=C(N=C(CO)CN2)C(=O)N1,,Thioproperazine,DB13149
5134,5134,5134,Not Available,C[C@](O)(CBr)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,,"2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID",DB04789
5135,5135,5135,Deoxycholic acid is a cytolytic agent injected subcutaneously to improve the appearance submental fat.,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C,,L-Baclofen,DB00374
5136,5136,5136,Not Available,CC1=NC(C)=C(S1)C1=NC(N)=NC=C1,,Hyaluronic acid,DB00784
5137,5137,5137,Not Available,CCN1C2=CC(=CC=C2N(C)C(=O)C2=C1N=CC=C2)[N+]([O-])=O,,AMGN-0007,DB11752
5138,5138,5138,Not Available,[H]N(CC1=CC=CC=C1)[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@]1([H])SC,,Pentoxyverine,DB01977
5139,5139,5139,Dicloxacillin is a penicillin used to treat penicillinase-producing bacterial infections that are susceptible to the drug.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1Cl)C(O)=O,,"N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",DB05432
5140,5140,5140,Not Available,OC1=CC2=C(NC3=CC(=C4C(=O)NC(=O)C4=C23)C2=CC=CC=C2)C=C1,,Glucaric acid,DB17449
5141,5141,5141,Quazepam is a long-acting benzodiazepine used to manage insomnia.,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2=C1C=C(Cl)C=C2,,Fexaramine,DB08351
5142,5142,5142,Not Available,[H][C@](CCC1=CC=C(C=C1)C(N)=N)(CC(=O)OC)C1=CC=CC(=C1)C(N)=N,,"lambda-bis(2,2'-bipyridine)imidazole ruthenium (II)",DB07321
5143,5143,5143,Prednicarbate is a medium potency topical corticosteroid used to manage pruritus and inflammation associated with responsive skin conditions.,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Myristic acid,DB15569
5144,5144,5144,"Tonapofylline has been used in trials studying the treatment of Heart Failure, Renal Insufficiency, and Congestive Heart Failure.",CCCN1C2=C(NC(=N2)C23CCC(CCC(O)=O)(CC2)CC3)C(=O)N(CCC)C1=O,,"5-Nitroso-6-ribityl-amino-2,4(1H,3H)-pyrimidinedione",DB03933
5145,5145,5145,Not Available,[H]N(CC1=C(F)C=CC=N1)C(=O)CN1C(C)=CN=C(N([H])CC(F)(F)C2=CC=CC=N2)C1=O,,5-O-phosphono-alpha-D-ribofuranosyl diphosphate,DB04742
5146,5146,5146,Not Available,OC(=O)CCCCCC\C=C/[C@@H]1O[Fe@]23ON1CCCC[C@@H](NC(=O)[C@@H]1CO[C@H](N1)C1=CC=CC=C1O2)C(=O)OCCC(=O)N[C@@H]1CCCCN(O3)C1=O,,"6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE",DB03542
5147,5147,5147,Not Available,[H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H],,3'-Uridinemonophosphate,DB09103
5148,5148,5148,Xamoterol is a β1-adrenoceptor partial agonist that has shown to improve systolic and diastolic function in studies with heart failure patients. It modulates the sympathetic control of the heart but has no agonist action on β2-adrenoceptors.,OC(CNCCNC(=O)N1CCOCC1)COC1=CC=C(O)C=C1,,"[(2R,3R,4S,5S)-3,4-Dihydroxy-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-pyrrolidinyl]methyl dihydrogen phosphate",DB03360
5149,5149,5149,Not Available,SCCCC(=O)NC1CCN(CC2=CC=CC=C2)CC1,,"N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE",DB02538
5150,5150,5150,Diosmin is a citrus flavonoid medication used to support vascular health.,COC1=C(O)C=C(C=C1)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1,,Dutogliptin,DB05931
5151,5151,5151,Eletriptan is a triptan used for the treatment of migraines.,CN1CCC[C@@H]1CC1=CNC2=C1C=C(CCS(=O)(=O)C1=CC=CC=C1)C=C2,,Tenofovir alafenamide,DB04794
5152,5152,5152,Rosuvastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and reduce the risk of cardiovascular disease including myocardial infarction and stroke.,CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O)N(C)S(C)(=O)=O,,(2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE,DB03588
5153,5153,5153,Not Available,COCCOC1=NC(N)=NC(C)=C1,,Tolvaptan,DB03775
5154,5154,5154,Not Available,[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCC,,Fencamfamin,DB01628
5155,5155,5155,Not Available,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC2=C(NN=C2C)C=C1)CC1=CC=C(Br)C=C1,,Pracinostat,DB02309
5156,5156,5156,Not Available,[O-]C(=O)C(=O)\C=C\CC(=O)C1=CC=CC=C1,,"(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione",DB00945
5157,5157,5157,"A biguanide hypoglycemic agent with actions and uses similar to those of metformin. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290)",NC(=N)NC(=N)NCCC1=CC=CC=C1,,"N'-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-2-pyrimidinyl]-N-hydroxyimidoformamide",DB01941
5158,5158,5158,Actelion-1 is a tissue-targeting Endothelin Receptor Antagonist that has been discovered by Actelion Pharmaceuticals.,,,"1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione",DB14528
5159,5159,5159,Not Available,[H][C@@]1(CC2=CC=C(O)C=C2)NC(=O)[C@]([H])(CC2=CC=C(O)C=C2)NC1=O,,2-Allyl-6-Methyl-Phenol,DB00078
5160,5160,5160,Manganese cation is a transition metal used for supplementation of manganese during Total Parenteral Nutrition (TPN).,[Mn++],,6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE,DB08451
5161,5161,5161,Not Available,[H][C@]1(CCN(CC(=O)NC2=C(F)C=C(C=C2)N2C=CC=CC2=O)C1)NC(=O)C1=CC=C(Cl)S1,,PAC-1,DB02283
5162,5162,5162,Not Available,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,"2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID",DB09046
5163,5163,5163,"P54 reduces the inflammation associated with cancer/tumors, Crohn's disease, inflammatory bowel disease, osteoarthritis, and ulcerative colitis. It inhibits the induction of the enzyme NFkB, thereby inhibiting downstream inflammatory genes such as COX II and iNOS.",,,Magnesium cation,DB08656
5164,5164,5164,Not Available,CC(C)C1=NN=C2C=CC(=CN12)C1=C(N=CO1)C1=CC=C(F)C=C1,,"3,5-Dimethyl-1-(3-Nitrophenyl)-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DB08357
5165,5165,5165,Not Available,CCNC(=O)C1=NNC(=C1C1=CC=C(OC)C=C1)C1=CC(Cl)=C(O)C=C1O,,N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl),DB12010
5166,5166,5166,N-Formylmethionine is effective in the initiation of protein synthesis. The initiating methionine residue enters the ribosome as N-formylmethionyl tRNA. This process occurs in Escherichia coli and other bacteria as well as in the mitochondria of eucaryotic cells.,[H]C(=O)N[C@@H](CCSC)C(O)=O,,"5-(3-Amino-4,4-Dihyroxy-Butylsulfanylmethyl)-Tetrahydro-Furan-2,3,4-Triol",DB07288
5167,5167,5167,Not Available,[H][C@]1(CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)[C@]([H])(CC2=CC=CC=C2)[C@]([H])(O)[C@@]1([H])O,,N-{(3S)-1-[(Benzyloxy)sulfamoyl]-5-phenyl-3-pentanyl}-Nα-[(4-methyl-1-piperazinyl)carbonyl]-L-phenylalaninamide,DB01927
5168,5168,5168,"Acepromazine is one of the phenothiazine derivative psychotropic drugs, used little in humans, however frequently in animals as a sedative and antiemetic.",CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O,,"N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3",DB01107
5169,5169,5169,Not Available,COC1=CC=C(OC2=CC=CC3=NC(N)=NC(N)=C23)C=C1,,MMI-175,DB07296
5170,5170,5170,Not Available,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,,Triphosphoric acid,DB06923
5171,5171,5171,"Fenoxaprop-ethyl (organic nitrate combined with L-arginine), is an oral proprietary nitrate therapeutic shown to induce coronary vasodilation while overcoming the significant problem of drug tolerance. Fenoxaprop-ethyl has been investigated to treat chronic angina, the chest pain that occurs from inadequate blood flow to the coronary arteries around the heart.",CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1,,Adenosine-5-Diphosphoribose,DB01859
5172,5172,5172,Panobinostat is a non-selective histone deacetylase inhibitor used to treat multiple myeloma in combination with other antineoplastic agents.,CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1,,Calusterone,DB14515
5173,5173,5173,N-(3-carboxypropanoyl)-L-norvaline is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. This medication is known to target n-acetylornithine carbamoyltransferase and putative ornithine carbamoyltransferase.,[H][C@@](CCC)(NC(=O)CCC(O)=O)C(O)=O,,Boldenone undecylenate,DB00316
5174,5174,5174,Not Available,OC(=O)C1=CC=C([Hg])C=C1,,1-Deoxy-1-Thio-Heptaethylene Glycol,DB01189
5175,5175,5175,Not Available,[H][C@](C)(OC(C)=O)[C@@]([H])(C=O)[C@@]1([H])NC(=CS1)C(=O)OCC=C,,"(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid",DB11772
5176,5176,5176,"A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)",CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,,Bicifadine,DB03629
5177,5177,5177,Not Available,[H][C@](N)(COC(=O)[C@@]([H])(N=C([O-])CC1=CC=CC=C1)[C@]1([H])N[C@@]([H])(C(O)=O)C(C)(C)S1)C([O-])=O,,"(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate",DB02308
5178,5178,5178,Not Available,COCCOCCOCCOCCOCCO,,Propyl alcohol,DB04647
5179,5179,5179,Not Available,ON(CC(O)=O)C=O,,Cedazuridine,DB00773
5180,5180,5180,Not Available,CC1=C(O)C(C=O)=C(COP(O)(O)=O)C=[N+]1C,,SC12267,DB07803
5181,5181,5181,Eslicarbazepine acetate is an anticonvulsant agent used as an adjunct to treat partial-onset seizures in patients with inadequate clinical response to conventional antiepileptic therapy.,CC(=O)O[C@H]1CC2=CC=CC=C2N(C(N)=O)C2=CC=CC=C12,,(S)-carazolol,DB13931
5182,5182,5182,Not Available,CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)CP(O)(O)=O,,Glycyrrhizic acid,DB04533
5183,5183,5183,"Basifungin, also known as aureuobacidin A, is a phosphorylceramide synthase inhibitor 3, 1.",CC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(NC1=O)C(C)C)[C@H](C)C(C)C,,Zosuquidar,DB02783
5184,5184,5184,Peginterferon alfa-2a is a modified form of recombinant human interferon used to stimulate the innate antiviral response in the treatment of hepatitis B and C viruses.,,CDLPQTHSLGSRRTLMLLAQMRRISLFSCLKDRHDFGFPQEEFGNQFQKAETIPVLHEMIQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAVRKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE,Flufenamic acid,DB01217
5185,5185,5185,Not Available,CN1N=C(C=C1NC(=O)NC1=CC=C(Cl)C=C1)C(C)(C)C,,alpha-D-arabinofuranose,DB03759
5186,5186,5186,Halofantrine is an antimalarial used for the treatment of severe malaria.,CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F,,"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE",DB04775
5187,5187,5187,Not Available,CC1=CC(N)=NC(CCNC(=O)C2=CC=C(C=C2)C#N)=C1,,"(5R,6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoic acid",DB11132
5188,5188,5188,Not Available,C[N+](C)(C)C,,"2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE",DB00634
5189,5189,5189,Not Available,N[C@@H](CCCNC(=N)NO)C(O)=O,,Ranibizumab,DB06964
5190,5190,5190,"Imiquimod is a toll-like receptor 7 agonist used to treat non hyperkeratotic, non hypertrophic actinic keratosis, basal cell carcinoma, genital or perianal warts, and condyloma acuminata.",CC(C)CN1C=NC2=C1C1=C(C=CC=C1)N=C2N,,scyllo-inositol,DB04020
5191,5191,5191,Not Available,COC1=C2N(C)C(=O)C=C(C)C2=C(OC)C=C1,,6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE,DB09079
5192,5192,5192,"Butenafine is a topical antifungal used to treat tinea versicolor, tinea pedis, tinea cruris, and tinea corporis.",CN(CC1=CC=C(C=C1)C(C)(C)C)CC1=CC=CC2=CC=CC=C12,,"1,8-Di-Hydroxy-4-Nitro-Anthraquinone",DB01957
5193,5193,5193,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=NC=NC(N)=C23)[C@]([H])(O)[C@]1([H])O,,"7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE",DB07636
5194,5194,5194,Not Available,[H][C@@]1(O)[C@@]([H])(O)[C@]([H])(OC)O[C@]([H])(C=S)[C@]1([H])O,,"(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID",DB13164
5195,5195,5195,Not Available,CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,,"1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide",DB05404
5196,5196,5196,AKI-001 is an aurora kinase inhibitor.,CCN1C(=O)C(C)(C)C2=CC3=C(C=C12)C1=C(N3)C2=NNC(C)=C2CCC1,,Dipyrithione,DB00416
5197,5197,5197,Teclistamab is a bispecific B-cell maturation antigen (BCMA)-directed CD3 T cell engager used to treat relapsed and refractory multiple myeloma in adults as monotherapy.,,QLQLQESGPGLVKPSETLSLTCTVSGGSISSGSYFWGWIRQPPGKGLEWIGSIYYSGITYYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARHDGAVAGLFDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,5'-Deoxy-5'-(Methylthio)-Tubercidin,DB03793
5198,5198,5198,Not Available,NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1,,Bulevirtide,DB07440
5199,5199,5199,Not Available,O[C@H](COC1=CC(Cl)=CC=C1)CS[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O,,L-tyrosinamide,DB00464
5200,5200,5200,Not Available,[H][C@@](CC1=CC=C(OCCN2C3=C(C=CC=C3)C3=C2C=CC=C3)C=C1)(OCC)C(O)=O,,Vamorolone,DB14069
5201,5201,5201,Not Available,CNC(=O)[C@@H](NC(=O)[C@H](OCC1=CC=C(C=C1)C1=CSC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=C(C=C1)C1=CSC=C1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C,,2-amino-8-methyl-4(1H)-quinazolinone,DB06680
5202,5202,5202,Not Available,[Cr+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O,,Alclometasone,DB08328
5203,5203,5203,Not Available,[H]N=C(CC1=CC(O)=C(O)C=C1)C(O)=O,,Omadacycline,DB04745
5204,5204,5204,Not Available,C[C@H](NC1=NC(=CC=N1)C1=C(N=C(C2CCNCC2)N1C)C1=CC=CC(=C1)C(F)(F)F)C1=CC=CC=C1,,NCX 950,DB07117
5205,5205,5205,Not Available,CC1=C(CCO[P@](O)([O-])=O)SC=[N+]1CC1=CN=C(C)N=C1N,,Lornoxicam,DB07450
5206,5206,5206,"Trametinib is a kinase inhibitor used alone or in combination with dabrafenib to treat patients with cancers with specific BRAF mutations, such as melanoma and non-small cell lung cancer.",CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=CC=C(I)C=C1F)C1=CC(NC(C)=O)=CC=C1,,4-(2-aminoethyl)-2-ethylphenol,DB04252
5207,5207,5207,Not Available,CN(C)C1=CC=C(C=C1)C(C1=CC=CC=C1)=C1C=CC(C=C1)=[N+](C)C,,"5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",DB15771
5208,5208,5208,Belzutifan is an inhibitor of hypoxia-inducible factor 2α used as an antineoplastic in the treatment of certain cancers associated with von Hippel-Lindau (VHL) disease.,CS(=O)(=O)C1=CC=C(OC2=CC(=CC(F)=C2)C#N)C2=C1[C@H](O)[C@H](F)[C@@H]2F,,"2',3'-Dideoxythymidine-5'-Monophosphate",DB01420
5209,5209,5209,Not Available,NC(N)=NCCCC[C@H](NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCN1C(=O)[C@@H](CC1CCCCC1)NC(=O)[C@@H]1CC[C@H](CN=C(N)N)CC1)C(N)=O,,"4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DB07840
5210,5210,5210,2-Methoxyestradiol (2ME2) is a drug that prevents the formation of new blood vessels that tumors need in order to grow (angiogenesis). It has undergone Phase 1 clinical trials against breast cancers and preclinical studies suggest that 2ME2 could also be effective against inflammatory diseases such as rheumatoid arthritis.,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3,,Enasidenib,DB08230
5211,5211,5211,Pecavaptan is under investigation in clinical trial NCT03901729 (A Trial to Study BAY1753011 in Patients With Congestive Heart Failure).,C[C@H](O)C1=NC(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)C2=CC=C(Cl)C=C2)=NN1C1=CC(Cl)=CC=C1,,(1R)-3-chloro-1-phenylpropan-1-ol,DB12924
5212,5212,5212,Not Available,C[C@H]1[C@@H]2[C@@H](C)NC3=C(N2CN1C1=CC=C(C[C@@H](O)[C@@H](O)[C@H](O)CO[C@H]2O[C@H](CO[P@@](O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@@H]2O)C=C1)C(=O)NC(N)=N3,,Meticillin,DB02108
5213,5213,5213,"Acetylcholine is a parasympathomimetic neurotransmitter used to induce miosis of the iris in seconds after delivery of the lens in cataract surgery, in penetrating keratoplasty, iridectomy and other anterior segment surgery where rapid miosis may be required.",CC(=O)OCC[N+](C)(C)C,,CR665,DB08594
5214,5214,5214,Eptinezumab is a monoclonal antibody directed against CGRP infused every 3 months for the preventive treatment of migraine in adults.,,EVQLVESGGGLVQPGGSLRLSCAVSGIDLSGYYMNWVRQAPGKGLEWVGVIGINGATYYASWAKGRFTISRDNSKTTVYLQMNSLRAEDTAVYFCARGDIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDARVEPKSCDKTHTCPPCPAPELLGGPSVTLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYASTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Lopinavir,DB08708
5215,5215,5215,Not Available,CC1=CC=C(C=C1C1=CC=C(C=C1)C(=O)NCC1CC1)C(=O)NC1CC1,,Baloxavir marboxil,DB00727
5216,5216,5216,"Non-methylated, competitive, and irreversible inhibitor of caspase 1, as well as other caspases,1 which can be used directly with purified enzymes. It does not require an esterase to hydrolyze the O-methyl ester like the cell-permeable form, Z-Val-Ala-Asp(O-Me) fluoromethyl ketone.",CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF,,2-[{4-[(2S)-2-{[(Allyloxy)carbonyl]amino}-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenyl}(carboxycarbonyl)amino]benzoic acid,DB01760
5217,5217,5217,Not Available,CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1,,Debrisoquine,DB08525
5218,5218,5218,Not Available,O[C@@H](CC1=CC=CC=C1)C(O)=O,,L-1-(4-chlorophenyl)-2-(acetamido)ethane boronic acid,DB14719
5219,5219,5219,Fomepizole is an inhibitor of alcohol dehydrogenase used as an antidote in confirmed or suspected methanol or ethylene glycol poisoning.,CC1=CNN=C1,,N-Benzyl-3-(alpha-D-galactopyranosyloxy)benzamide,DB00961
5220,5220,5220,"FM-VP4, is a novel hydrophilic phytostanol analogue representing a new class in cholesterol-lowering drugs called cholesterol absorption inhibitors. FM-VP4 has been shown to inhibit cholesterol absorption and to lower plasma LDL-cholesterol and total cholesterol in a broad range of animal species. Additional experiments suggest that FM-VP4 can reduce plasma LDL cholesterol levels and triglyceride levels, reduce weight gain and exert a anti-atherosclerosis effect.",,,PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE,DB07614
5221,5221,5221,Not Available,OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O,,4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE,DB07593
5222,5222,5222,Not Available,NC(N)C1=CC2=C(C=C1)[N+]1=C(N2)C(=O)C2=[N+]([Zn]1)C1=C(N2)C=C(C=C1)C(N)N,,"2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-TETRAHYDRO-2H-ISOPHOSPHINDOL-1-YL)PYRIDINE",DB01221
5223,5223,5223,Not Available,[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C,,Pancuronium,DB04578
5224,5224,5224,Azatadine is an H1 receptor antagonist used to treat perennial and allergic rhinitis as well as eustachian tube congestion.,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2,,Balicatib,DB06404
5225,5225,5225,Not Available,OC(=O)CN1C=CC(=O)N(CC2=NC3=CC(Cl)=CC=C3S2)C1=O,,"5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide",DB01777
5226,5226,5226,Tafamidis is a medication used to treat transthyretin-mediated amyloidosis.,OC(=O)C1=CC=C2N=C(OC2=C1)C1=CC(Cl)=CC(Cl)=C1,,Metyrapone,DB01618
5227,5227,5227,"Curcumin, also known as diferuloylmethane, is an active component in the golden spice turmeric (Curcuma longa) and in Curcuma xanthorrhiza oil. It is a highly pleiotropic molecule that exhibits antibacterial, anti-inflammatory, hypoglycemic, antioxidant, wound-healing, and antimicrobial activities 1. Due to these properties, curcumin has been investigated for the treatment and supportive care of clinical conditions including proteinuria, breast cancer, multiple myeloma, depression, and Non Small Cell Lung Cancer (NSCLC). Despite proven efficacy against numerous experimental models, poor bioavailability due to poor absorption, rapid metabolism, and rapid systemic elimination have been shown to limit the therapeutic efficacy of curcumin 1. Curcumin is under investigation for the treatment and supportive care of various clinical conditions including mucositis, rectal cancer, prostate cancer, chronic schizophrenia, and Mild Cognitive Impairment (MCI) 1.",COC1=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=CC=C1O,,Niflumic acid,DB07834
5228,5228,5228,Not Available,NC1=NC2=C(NC=C2[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,,Selenoinosine,DB01791
5229,5229,5229,Not Available,CC(C)(N)C(O)=O,,"(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid",DB00987
5230,5230,5230,"Opaganib, also known as ABC294640, is a selective sphingosine kinase-2 (SK2) inhibitor that is orally administered.2 This drug has potential anticancer, anti-inflammatory, and antiviral activities, with potential applications in oncology, inflammation, the gastrointestinal system, and COVID-19.",ClC1=CC=C(C=C1)C12CC3CC(CC(C3)(C1)C(=O)NCC1=CC=NC=C1)C2,,2'-Monophosphoadenosine-5'-Diphosphate,DB07557
5231,5231,5231,"An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order tetraodontiformes, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction. Tetrodotoxin is being investigated by Wex Pharmaceuticals for the treatment of chronic and breakthrough pain in advanced cancer patients as well as for the treatment of opioid dependence.",[H][C@]12OC3([O-])OC(C4C(O)[NH+]=C(N)NC4(C1O)[C@@H]3O)C2(O)CO,,Cilomilast,DB00917
5232,5232,5232,Linagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor used to manage hyperglycemia in patients with type 2 diabetes mellitus.,CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C)N1CCC[C@@H](N)C1,,PLN-74809,DB11478
5233,5233,5233,"Clorazepic acid is a benzodiazepine used to treat anxiety, partial seizures, and alcohol withdrawal.",OC(=O)C1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,,"5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide",DB07207
5234,5234,5234,"2-Hydroxyestradiol is classified as an endogenous steroid, catechol estrogen, and metabolite of estradiol. It is also a positional isomer of estriol. 1",[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3,,Sulfamerazine,DB03366
5235,5235,5235,Cefotiam is a cephalosporin antibiotic used to treat a variety of bacterial infections.,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O,,N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide,DB00847
5236,5236,5236,Plecanatide is a laxative used to treat chronic idiopathic constipation and IBS with constipation.,[H][C@@]12CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC2=O)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O,,6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID,DB01015
5237,5237,5237,Leflunomide is a pyrimidine synthesis inhibitor indicated to treat rheumatoid arthritis.,CC1=C(C=NO1)C(=O)NC1=CC=C(C=C1)C(F)(F)F,,(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide,DB08534
5238,5238,5238,Human thrombin is a platelet activating factor used to treat minor bleeding.,,MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE,N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE,DB09272
5239,5239,5239,Maralixibat is an ileal bile acid transporter inhibitor indicated to treat cholestatic pruritus in patients with Alagille syndrome.,CCCCC1(CCCC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C1=CC=C(OCC2=CC=C(C[N+]34CCN(CC3)CC4)C=C2)C=C1)N(C)C,,"(R)-1-(4-(4-(Hydroxymethyl)-1,3,2-dioxaborolan-2-YL)phenyl)guanidine",DB06693
5240,5240,5240,Not Available,[H][C@@]1(CC(O)=O)CC2=CC3=C(C(O)=CC=C3)C(=O)C2=C(C)O1,,Palmitoyl-Linoleoyl Phosphatidylcholine,DB00761
5241,5241,5241,Not Available,C[C@H](NC1=NC(=O)[C@@](C)(S1)C(C)(C)O)C1=CC=C(F)C=C1,,Teriflunomide,DB01544
5242,5242,5242,Not Available,[H][C@@](COC(=O)CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCC,,"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine",DB11652
5243,5243,5243,Not Available,CC1=CC=C(C=C1)S(=O)(=O)N1N=CC2=C(C=CC=C2)B1O,,Diethylpropion,DB02994
5244,5244,5244,Not Available,[H][C@@]1(CC(C)C)CN(CCN1C(=O)C1=NC=C(C=N1)C1=CC=NC=C1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,,Ceftriaxone,DB06518
5245,5245,5245,Tenoxicam is an anti inflammatory analgesic used to treat mild to moderate pain as well as the signs and symptoms of rheumatoid arthritis and osteoarthritis.,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=CS2)S1(=O)=O,,1-(biphenyl-4-ylmethyl)-1H-imidazole,DB03140
5246,5246,5246,Naloxone is an opioid receptor antagonist used to rapidly reverse an opioid overdose. Also included in some drug formulations as an abuse deterrent to prevent injection.,OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)CC[C@@]35O,,3-Fluoro-2-Methyl-Aniline,DB16657
5247,5247,5247,Not Available,ClC1=CC2=C(OCCCCCOC3=CN=CC(NC(=O)N2)=N3)C=C1,,Para-Mercury-Benzenesulfonic Acid,DB06442
5248,5248,5248,Not Available,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CC3=C(O2)C=CC=C3)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)NC1[C@H](O)CC2=C1C=CC=C2,,"N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-2,3-DIAMINE",DB02159
5249,5249,5249,A cyclohexylamido analog of penicillanic acid.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O,,(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide,DB02717
5250,5250,5250,A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur.,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O,,Genistein,DB03711
5251,5251,5251,Not Available,COC(C)(C)CCC[C@@](C)([H])C\C=C\C(\C)=C\C(O)=O,,"3-(4-hydroxy-3-imino-6-oxo-cyclohexa-1,4-dienyl)-alanine",DB00735
5252,5252,5252,Not Available,FC(F)(F)C1=CC=CC(NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2)=C1,,Clopidogrel,DB07631
5253,5253,5253,Not Available,[H][C@](C)(CO)NC(=O)C1=C(C)N=C(S1)C1=NC(NC2=CC(C)=CC(C)=C2)=NC=C1,,N-Cyclohexyl-N'-Decylurea,DB16708
5254,5254,5254,Not Available,COC1=CC2=NC=C3C(N)=NC4=C(C)C(N)=CC=C4C3=C2C=C1OC,,Peptide YY (3-36),DB14027
5255,5255,5255,Tralokinumab is a monoclonal antibody directed against interleukin-13 which is used in the treatment of moderate-to-severe atopic dermatitis in patients requiring systemic therapy.,,QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYGLSWVRQAPGQGLEWMGWISANNGDTNYGQEFQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARDSSSSWARWFFDLWGRGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPSCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,2-(cyclohexylamino)benzoic acid,DB07094
5256,5256,5256,Terpinen-4-ol is under investigation in clinical trial NCT01647217 (Demodex Blepharitis Treatment Study).,CC(C)C1(O)CCC(C)=CC1,,3-Chloroalaninate,DB13875
5257,5257,5257,Not Available,[H][C@@](CC(C)C)(NC(=O)[C@]([H])(CCCC)OP(O)(O)=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O,,Carbocisteine,DB06899
5258,5258,5258,Ibrexafungerp is a triterpene antifungal indicated in the treatment of vulvovaginal candidiasis and prevention of recurrent vulvovaginal candidiasis in post-menarchal patients.,[H][C@]12CC[C@@]3([H])[C@@]4(C)COC[C@@]3(C[C@H]([C@@H]4OC[C@](C)(N)C(C)(C)C)N3N=CN=C3C3=CC=NC=C3)C1=CC[C@@]1(C)[C@H](C(O)=O)[C@](C)(CC[C@]21C)[C@H](C)C(C)C,,D-erythrose 4-phosphate,DB00558
5259,5259,5259,"Pidolic acid is a naturally occurring but little-studied amino acid derivative that can be formed enzymatically or non-enzymatically and participates as a biological intermediate with unique pharmacodynamics in various chemical pathways 4,7. Elevations of the acid in blood levels may be associated with problems of glutamine or glutathione metabolism 7. Pidolic acid, in general, is found in large quantities in brain tissue and other tissues in bound form, like skin 7.",OC(=O)[C@@H]1CCC(=O)N1,,Glycocyamine,DB13760
5260,5260,5260,"One of the schistosomicides, it has been replaced largely by hycanthone and more recently praziquantel. (From Martindale The Extrapharmacopoeia, 30th ed., p46). It is currently being tested as a radiation sensitizer.",CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1,,"N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE",DB00318
5261,5261,5261,Not Available,CCC1=C(O)C=C(O)C(=C1)C1=NNC=C1C1=CNC=N1,,Encenicline,DB11757
5262,5262,5262,"Phenylephrine is an alpha-1 adrenergic agonist used in the management of hypotension, generally in the surgical setting associated with the use of anesthetics.",CNC[C@H](O)C1=CC(O)=CC=C1,,Sri-9439,DB07055
5263,5263,5263,Not Available,[H][C@]12CC3=C(C(N)=C4C=CC(Cl)=CC4=N3)[C@]([H])(CC(CC)=C1)C2,,5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide,DB01752
5264,5264,5264,Implitapide is a microsomal triglyceride transfer protein (MTP)-inhibitor.,CC1=NC2=C(C3=CC=CC=C3N2CC2=CC(=CC=C2)[C@H](C2CCCC2)C(=O)N[C@@H](CO)C2=CC=CC=C2)C(C)=C1,,Human calcitonin,DB08590
5265,5265,5265,Not Available,NC(=C)C(O)=O,,Dobutamine,DB02196
5266,5266,5266,"6-ethyl-5-[(2s)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine is a solid. This compound belongs to the phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. This substance targets the protein renin.",[H][C@]1(CCC2=CC=C(C=C2N1CCCOC)C1=C(N)N=C(N)N=C1CC)C1=CC=CC=C1,,Tegafur,DB13155
5267,5267,5267,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(NC)C3=NN2)[C@]([H])(O)[C@]1([H])O,,CRA_10762,DB04304
5268,5268,5268,Not Available,[H][C@@](O)(CCCl)C1=CC=CC=C1,,"4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL",DB00918
5269,5269,5269,Not Available,[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)(C[C@@]22OC(=O)N(CCCl)C2=O)[C@@]13[H])[C@]1(C[C@H]2CN(C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC,,Bedaquiline,DB07679
5270,5270,5270,Turoctocog alfa is an antihemorrhagic agent used for the treatment and prophylaxis of bleeding in patients of all ages with haemophilia A (congenital factor VIII deficiency).,,ATRRYYLGAVELSWDYMQSDLGELPVDARFPPRVPKSFPFNTSVVYKKTLFVEFTDHLFNIAKPRPPWMGLLGPTIQAEVYDTVVITLKNMASHPVSLHAVGVSYWKASEGAEYDDQTSQREKEDDKVFPGGSHTYVWQVLKENGPMASDPLCLTYSYLSHVDLVKDLNSGLIGALLVCREGSLAKEKTQTLHKFILLFAVFDEGKSWHSETKNSLMQDRDAASARAWPKMHTVNGYVNRSLPGLIGCHRKSVYWHVIGMGTTPEVHSIFLEGHTFLVRNHRQASLEISPITFLTAQTLLMDLGQFLLFCHISSHQHDGMEAYVKVDSCPEEPQLRMKNNEEAEDYDDDLTDSEMDVVRFDDDNSPSFIQIRSVAKKHPKTWVHYIAAEEEDWDYAPLVLAPDDRSYKSQYLNNGPQRIGRKYKKVRFMAYTDETFKTREAIQHESGILGPLLYGEVGDTLLIIFKNQASRPYNIYPHGITDVRPLYSRRLPKGVKHLKDFPILPGEIFKYKWTVTVEDGPTKSDPRCLTRYYSSFVNMERDLASGLIGPLLICYKESVDQRGNQIMSDKRNVILFSVFDENRSWYLTENIQRFLPNPAGVQLEDPEFQASNIMHSINGYVFDSLQLSVCLHEVAYWYILSIGAQTDFLSVFFSGYTFKHKMVYEDTLTLFPFSGETVFMSMENPGLWILGCHNSDFRNRGMTALLKVSSCDKNTGDYYEDSYEDISAYLLSKNNAIEPRSFSQNSRHPSQNPPVLKRHQR,Pirodavir,DB05038
5271,5271,5271,Not Available,[H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(Cl)=C1,,Pentasulfide-Sulfur,DB05047
5272,5272,5272,Clomocycline is a tetracycline used to treat bacterial infections.,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(C(Cl)=CC=C1O)[C@@]3(C)O,,Anatibant,DB02415
5273,5273,5273,"Infliximab is a monoclonal anti tumor necrosis factor alpha antibody used in the treatment of a wide variety of inflammatory conditions such as rheumatoid arthritis, Crohn's disease, and ankylosing spondylitis.",,,"(2R)-1-(2,6-dimethylphenoxy)propan-2-amine",DB01242
5274,5274,5274,Butriptyline is a tricyclic antidepressant which has been used in Europe since 1974. It is the isobutyl side chain homologue of amitriptyline.,CC(CC1C2=CC=CC=C2CCC2=CC=CC=C12)CN(C)C,,"4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL",DB02625
5275,5275,5275,Ropivacaine is an amide-type local anesthetic used for local or regional anesthesia during surgery and for short-term management of acute pain.,CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1C,,Desloratadine,DB03243
5276,5276,5276,Baclofen is a GABA-ergic agonist used to manage severe spasticity of cerebral or spinal origin in adult and pediatric patients.,NCC(CC(O)=O)C1=CC=C(Cl)C=C1,,Daprodustat,DB04959
5277,5277,5277,Estrone sulfate is an estrogen used as monotherapy or in several combination hormone replacement products for managing menopause symptoms and hormone disorders.,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OS(O)(=O)=O)C=C3,,Iopodic acid,DB07379
5278,5278,5278,Oxcarbazepine is an anti-epileptic used in the treatment of partial-onset seizures.,NC(=O)N1C2=CC=CC=C2CC(=O)C2=C1C=CC=C2,,Retifanlimab,DB02591
5279,5279,5279,Not Available,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,,2-[(2-methoxy-5-methylphenoxy)methyl]pyridine,DB02337
5280,5280,5280,Not Available,C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,,"1,3-bis-([3-[3-[3-(4-{3-[3-nitro-5-(galactopyranosyloxy)-benzoylamino]-propyl}-piperazin-1-yl)-propylamino-3,4-dioxo-cyclobutenyl]-amino-propoxy-ethoxy-ethoxy]-propyl-]amino-carbonyloxy)-2-amino-propane",DB06255
5281,5281,5281,Foreskin keratinocyte (neonatal) is a treatment of skin cells used to accelerate wound closure and healing.,,,Turoctocog alfa pegol,DB00473
5282,5282,5282,"Zomepirac, formerly marketed as Zomax tablets, was associated with fatal and near-fatal anaphylactoid reactions. The manufacturer voluntarily removed Zomax tablets from the Canadian, US, and UK markets in March 1983.",CN1C(CC(O)=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1,,"2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide",DB01132
5283,5283,5283,Not Available,CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)C1=NC=CN=C1C(O)=O,,N-acetylhistamine,DB02232
5284,5284,5284,Not Available,[H][C@](O)(CO)CNC1=C2C(NC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1,,Arzoxifene,DB03993
5285,5285,5285,Etizolam is a thienodiazepine derivative used to treat anxiety and insomnia.,CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl,,Tetra(imidazole)diaquacopper (I),DB05316
5286,5286,5286,Tuberculin purified protein derivative is a purified protein used in the Mantoux test for Mycobacterium tuberculosis testing.,,,CAN-508,DB07239
5287,5287,5287,Asenapine is an atypical antipsychotic used to treat patients with bipolar I disorder and patients with schizophrenia.,CN1CC2C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1,,Inulin,DB00113
5288,5288,5288,Neramexane is a low-to-moderate affinity uncompetitive NMDA receptor antagonist.,CC1(C)CC(C)(C)CC(C)(N)C1,,Pipotiazine,DB06843
5289,5289,5289,"NN344 is a neutral, soluble long-acting human insulin analogue with 24 hour coverage by once daily injection. NN344 has a very flat and predictable action profile. The product is intended for basal insulin treatment of diabetes mellitus.",,,"2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DB08828
5290,5290,5290,"Carvedilol is a non selective beta-adrenergic antagonist used to treat mild to severe chronic heart failure, hypertension, and left ventricular dysfunction following myocardial infarction in clinically stable patients.",COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=CC=CC=C1N2,,5-hydroxyvaleric acid,DB02453
5291,5291,5291,Not Available,N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O,,"(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE",DB07145
5292,5292,5292,"Cytarabine is a pyrimidine nucleoside analogue used to treat acute non-lymphocytic leukemia, lymphocytic leukemia, and the blast phase of chronic myelocytic leukemia.",NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,,"(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol",DB14001
5293,5293,5293,Not Available,[H]N(CCSC(=O)\C=C/CCCCCCC)C(C)=O,,"dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",DB12319
5294,5294,5294,Not Available,FC1=CC=CC=C1C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,,3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL,DB01624
5295,5295,5295,Nitrendipine is a dihydropyridine calcium channel blocker indicated in the treatment of arterial hypertension.,CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC,,"2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE",DB03359
5296,5296,5296,Not Available,[H][C@]1(C)C[C@]([H])(NC)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,,Propidium,DB07946
5297,5297,5297,Not Available,OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=C(C=C1)C(O)=O,,KB-141,DB05468
5298,5298,5298,Tirabrutinib is under investigation in clinical trial NCT02626026 (Safety and Pharmacokinetics of GS-4059 in Healthy Volunteers and Subjects With Rheumatoid Arthritis (RA)).,CC#CC(=O)N1CC[C@H](C1)N1C(=O)N(C2=C(N)N=CN=C12)C1=CC=C(OC2=CC=CC=C2)C=C1,,Trans-6-(2-Phenylcyclopropyl)-Naphthalene-2-Carboxamidine,DB08699
5299,5299,5299,Not Available,[H]N([H])C1=NC(=O)C2=C(C=CC(CC(O)(CN([H])CC(=O)N([H])[C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],,PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE,DB04683
5300,5300,5300,Not Available,C[C@H](O)CBr,,"5H-pyrrolo[3,2-d]pyrimidin-4-amine",DB03042
5301,5301,5301,"CTI-01 (ethyl pyruvate) is a novel anti-inflammatory agent for the treatment of critical inflammatory conditions. CTI-01 shows a potent anti-inflammatory and tissue protection activity in multiple animal models of disease including pancreatitis, ischemia-reperfusion injury, sepsis, renal injury and endotoxemia.",CCOC(=O)C(C)=O,,ANX-510,DB07794
5302,5302,5302,Ferric pyrophosphate citrate is a soluble iron compound used to maintain hemoglobin levels in patients undergoing hemodialysis.,[Fe+3].[Fe+3].[Fe+3].[Fe+3].OP(O)(=O)OP(O)(O)=O.OP(O)(=O)OP(O)(O)=O.OP([O-])(=O)OP([O-])([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O,,4-Amino Hexanoic Acid,DB11700
5303,5303,5303,"One of the components of virginiamycin, a cyclic polypeptide antibiotic complex from streptomyces virginiae, s. Loidensis, s. Mitakaensis, s. Pristina-spiralis, s. Ostreogriseus, and others. It is used to treat infections with gram-positive organisms and as a growth promoter in cattle, swine, and poultry.",[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)CCN1C(=O)[C@]([H])(CC1=CC=CC=C1)N(C)C2=O)C1=CC=CC=C1,,Methyldiazene,DB12339
5304,5304,5304,Amlodipine is a calcium channel blocker used to treat hypertension and angina.,CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC,,Naringenin,DB06759
5305,5305,5305,Empagliflozin is an SGLT2 inhibitor used to manage type 2 diabetes mellitus.,OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=CC=C(Cl)C(CC2=CC=C(O[C@H]3CCOC3)C=C2)=C1,,Ardeparin,DB01765
5306,5306,5306,Not Available,[H]N(CCC(=O)N([H])\C=C/S)C(=O)[C@H](O)C(C)(C)CO,,1-Naphthoxyacetic acid,DB03332
5307,5307,5307,Not Available,CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Vitamin A,DB04088
5308,5308,5308,Amidinopenicillanic acid derivative with broad spectrum antibacterial action. It is poorly absorbed if given orally and is used in urinary infections and typhus. Amdinocillin is not available in the United States.,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(O)=O)C(C)(C)S[C@]12[H])N1CCCCCC1,,Benzyl N-[(2S)-5-(diaminomethylamino)-1-[[(2S)-4-fluoro-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamate,DB07854
5309,5309,5309,Not Available,NC(N)=NC1=CC=CC(=C1)[C@@H](CS)C(O)=O,,(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid,DB07499
5310,5310,5310,"L-cysteic acid is a beta-sulfoalanine. It is an amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.",N[C@@H](CS(O)(=O)=O)C(O)=O,,Mifamurtide,DB00490
5311,5311,5311,Ublituximab is a low-fucose CD20-targeted monoclonal antibody used in the treatment of relapsing forms of multiple sclerosis.,,QAYLQQSGAELVRPGASVKMSCKASGYTFTSYNMHWVKQTPRQGLEWIGGIYPGNGDTSYNQKFKGKATLTVGKSSSTAYMQLSSLTSEDSAVYFCARYDYNYAMDYWGQGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,TRC093,DB02098
5312,5312,5312,"Polydatin, or Piceid, is a natural precursor and glycoside form of resveratrol with a monocrystalline structure. While it is isolated from the bark of Picea sitchensis or Polygonum cuspidatum, polydatin may be detected in grape, peanut, hop cones, red wines, hop pellets, cocoa-containing products, chocolate products and many daily diets 1. Polydatin possesses anti-inflammatory, immunoregulatory, anti-oxidative and anti-tumor activities. It is shown to mediate a cytotoxic action on colorectal cancer cells by inducing cell arrest and apoptosis 4.",OC[C@H]1O[C@@H](OC2=CC(\C=C\C3=CC=C(O)C=C3)=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O,,Dupilumab,DB05096
5313,5313,5313,Oxitriptan is a naturally occurring amino acid that is used to manage post-hypoxic myoclonus.,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O,,Telotristat ethyl,DB12961
5314,5314,5314,BTA9881 is a respiratory syncytial virus (RSV) antiviral drug developed by the Australian company Biota Holdings. It is currently in phase I trials.,,,Ascorbic acidCommonly known or available as Vitamin C,DB17083
5315,5315,5315,Not Available,[NH3+]CCCCOB1OCCO1,,Ulobetasol,DB09207
5316,5316,5316,Not Available,ClC1=CC=C(S1)C(=O)NCCNC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O,,Pholcodine,DB03141
5317,5317,5317,Not Available,OC(=O)CNC(=O)CCC[P@@](O)(=O)OCC1=CC=C(C=C1)[N+]([O-])=O,,Synephrine,DB04930
5318,5318,5318,Not Available,CC(C)=CCNC1=NC=NC2=C1N=CN2,,Ferricrocin-iron,DB02723
5319,5319,5319,Isoflurane is an inhaled general anesthetic used in surgery.,FC(F)OC(Cl)C(F)(F)F,,Formaldehyde,DB03528
5320,5320,5320,Not Available,NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2,,"{4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid",DB03020
5321,5321,5321,(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid is a solid. This compound belongs to the benzenes and substituted derivatives. These are aromatic compounds containing at least one benzene ring. This medication targets the protein beta-lactamase.,[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC=CC=C1,,Bromo-Willardiine,DB04732
5322,5322,5322,Not Available,NC1=NC2=C(C(N)=N1)C(SC1=CC=CC=C1)=CC=C2,,"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-2,4(1H,3H)-DIONE",DB04801
5323,5323,5323,Not Available,O[C@@H]1C[C@@](O)(CC(=O)[C@H]1O)C(O)=O,,Novobiocin,DB07398
5324,5324,5324,Not Available,CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1,,2-(3-NITROPHENYL)ACETIC ACID,DB00623
5325,5325,5325,Not Available,[H][C@](N)(CSSCCC)C=O,,Thymidine-5'- Diphosphate,DB04517
5326,5326,5326,"3-methyl-benzene-1,2-diol is a solid. This compound belongs to the catechols. These are compounds containing a 1,2-benzenediol moeity. 3-methyl-benzene-1,2-diol targets the protein biphenyl-2,3-diol 1,2-dioxygenase.",CC1=CC=CC(O)=C1O,,N-[(2S)-3-Phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-tyrosine,DB04843
5327,5327,5327,Not Available,COC1=CC2=NC=NC(N3CC[C@H](C3)OC3=NC4=CC=CC=C4N=C3)=C2C=C1OC,,PF-07304814,DB08869
5328,5328,5328,Not Available,[H][C@@]12C[C@]3([H])O[C@]4([H])C\C=C/[C@]([H])(O)[C@@]([H])(CO)O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@]([H])(O)[C@@]1([H])OCC=CC[C@]1([H])O2,,Griseofulvin,DB04783
5329,5329,5329,Not Available,[H]\C(C1=CC=C(O1)C1=CC=C(Cl)C=C1)=C1/SC(=S)N(CCC(O)=O)C1=O,,Fentanyl,DB02009
5330,5330,5330,Not Available,OC(=O)CC(CC(O)=O)C(O)=O,,Cytidine-5'-diphospho-beta-D-xylose,DB07816
5331,5331,5331,Not Available,CC1=C2CC3=C(C)C(CCC(O)=O)=C(CC4=C(CCC(O)=O)C(C)=C(CC5=C(CCC(O)=O)C(C)=C(CC(N2)=C1CCC(O)=O)N5)N4)N3,,Micafungin,DB00377
5332,5332,5332,Not Available,OC1=CC=C(C=C1)C1=CC2=C(O1)C(=CC(O)=C2)C#N,,Talampanel,DB03169
5333,5333,5333,Not Available,O[C@H]1CSSC[C@@H]1O,,"N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane",DB02965
5334,5334,5334,Not Available,[H][C@]1(C)O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N,,"(4s-Trans)-4-(Methylamino)-5,6-Dihydro-6-Methyl-4h-Thieno(2,3-B)Thiopyran-2-Sulfonamide-7,7-Dioxide",DB02395
5335,5335,5335,Not Available,CCCCCC(CCCCC)SC1=C(N=NN1)C(O)=O,,Carbamazepine,DB08620
5336,5336,5336,"Galidesivir is an adenosine analogue that has been investigated for use against Zaire Ebolavirus.1 In animal studies, galidesivir was effective in increasing the survival rates from infections caused by various pathogens, including Ebola, Marburg, Yellow Fever and Zika viruses.6 In vitro, it displayed broad-spectrum antiviral activity against various negative- and positive-sense RNA viruses,2 including coronaviruses, filoviruses, and arenaviruses.4,6 Phase 1 clinical trials have begun to determine the safety of this drug in humans.5 Because of its activity against other coronaviruses, it may be studied as a potential therapy for COVID-19.",[H][C@]1(N[C@H](CO)[C@@H](O)[C@H]1O)C1=CNC2=C1N=CN=C2N,,Berotralstat,DB04680
5337,5337,5337,Not Available,CC(C)OP(O)(O)=O,,Stavudine triphosphate,DB11577
5338,5338,5338,Not Available,OC(=O)CCCCCC(=O)CCC(O)=O,,"4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",DB07380
5339,5339,5339,Not Available,NS(=O)(=O)C1=CC=C(N2CCCC2=O)C(=C1)[N+]([O-])=O,,"(6E,11E)-HEPTADECA-6,11-DIENE-9,9-DIYLBIS(PHOSPHONIC ACID)",DB02095
5340,5340,5340,Not Available,OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F,,D-phenylalanyl-N-benzyl-L-prolinamide,DB11155
5341,5341,5341,"Branebrutinib is under investigation in clinical trial NCT02705989 (Safety, Tolerability and Relative Bioavailability Study of BMS-986195 in Healthy Subjects).",CC#CC(=O)N[C@H]1CCCN(C1)C1=C2C(C)=C(C)NC2=C(C=C1F)C(N)=O,,Carisoprodol,DB09257
5342,5342,5342,Not Available,COC1=CC(=CC=C1)N1C=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,,Taspoglutide,DB07197
5343,5343,5343,Not Available,[H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(=O)CS,,Perampanel,DB12161
5344,5344,5344,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])F)[C@]([H])(O)[C@@]1([H])O,,Telbivudine,DB02419
5345,5345,5345,"Propranolol is a non-selective beta adrenergic antagonist used to treat hypertension, angina, atrial fibrillation, myocardial infarction, migraine, essential tremor, hypertrophic subaortic stenosis, and pheochromocytoma.",CC(C)NCC(O)COC1=CC=CC2=C1C=CC=C2,,Pamidronic acid,DB06766
5346,5346,5346,"SCV-07 (g -D-glutamyl-L-tryptophan) is a novel synthetic dipeptide that acts broadly on the Toll-like receptor pathway. It has been shown to stimulate T-lymphocyte differentiation, macrocytic phagocytosis, and specific immune responses, and enhance IL-2 and INF-g production. Due to this preferential activation of Th1 cytokine production, SCV-07 may show utility in treatment of tuberculosis. It can be administered orally or subcutaneously. In independent studies, treatment of tuberculosis with SCV-07 improved clearance of mycobacteria, improved cavity healing, improvements in immune parameters and reduced symptoms (fever, weakness, sweating, dry cough, productive cough, dyspnea, chest pain, tachycardia) without any adverse local or general effects. SCV-07 has shown efficacy in treating various viral and bacterial infections.",N[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)C(O)=O,,2-Allylphenol,DB11254
5347,5347,5347,Ambenonium is a cholinesterase inhibitor that targets both muscarinic and nicotinic receptors indicated for the treatment of myasthenia gravis.,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC1=CC=CC=C1Cl,,Tipiracil,DB05171
5348,5348,5348,Not Available,CCN(CC)C(=O)CC1=CC=CC(NS(=O)(=O)C2=C(C)C(Cl)=CC=C2)=N1,,Rivanicline,DB01805
5349,5349,5349,Not Available,[H][C@@](O)(C(O)=O)[C@@]([H])(O)C1=CC=C(F)C=C1,,XL820,DB04834
5350,5350,5350,Amoxapine is a tricyclic antidepressant used in the treatment of neurotic or reactive depressive disorders and endogenous or psychotic depression.,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1,,"N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-2,3-DIAMINE",DB08562
5351,5351,5351,Not Available,[H][C@@](CCCC)(NC(=O)CCC(O)=O)[P@](O)(=O)OC1=CC=CC=C1,,L-Xylulose 5-Phosphate,DB00270
5352,5352,5352,Simvastatin is an HMG-CoA reductase inhibitor used to lower lipid levels and reduce the risk of cardiovascular events including myocardial infarction and stroke.,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC,,N-(5'-Phosphopyridoxyl)-D-Alanine,DB00583
5353,5353,5353,Not Available,[H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@]2([H])C[C@@]([H])(N=N2)[C@]1([H])C(\[H])=C(/[H])CCCCCC,,Vandetanib,DB00019
5354,5354,5354,Eplerenone is an aldosterone receptor antagonist used to improve survival of patients with symptomatic heart failure and to reduce blood pressure.,[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC,,"4-[(4-Imidazo[1,2-a]Pyridin-3-Ylpyrimidin-2-Yl)Amino]Benzenesulfonamide",DB00221
5355,5355,5355,Not Available,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(OC[C@@]3([H])O[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,"3-Pyridin-4-Yl-2,4-Dihydro-Indeno[1,2-.C.]Pyrazole",DB02816
5356,5356,5356,Not Available,[H]\C(CC\C(C)=C(/[H])CSP(O)(=O)OP(O)(O)=O)=C(\C)CCC=C(C)C,,2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL,DB00491
5357,5357,5357,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(O1)\C=C1/SC(=O)NC1=O,,(2S)-1-{[5-(1H-Indazol-5-yl)-3-pyridinyl]oxy}-3-(7aH-indol-3-yl)-2-propanamine,DB08448
5358,5358,5358,Not Available,[H][C@]1(F)C[C@@]([H])(O[C@]1([H])COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C=CC(=O)NC1=O,,Uridine-Diphosphate-N-Acetylglucosamine,DB03111
5359,5359,5359,Not Available,COC1=CC(NC2=NC=C3C=CN(C3=N2)C2=CC=CC=N2)=CC(OC)=C1OC,,Talviraline,DB06058
5360,5360,5360,"Abivertinib is a tyrosine kinase inhibitor targeted against mutant forms of both human epidermal growth factor receptor (EGFR) and Bruton's tyrosine kinase (BTK).1 It has been investigated for use in the treatment of non-small cell lung cancer (NSCLC) and B-cell malignancies. In binding to and inhibiting EGFR and BTK receptors, abivertinib exerts immunomodulatory effects by preventing the production and release of pro-inflammatory cytokines (e.g. TNF-alpha, interleukins).2",CN1CCN(CC1)C1=C(F)C=C(NC2=NC(OC3=CC=CC(NC(=O)C=C)=C3)=C3C=CNC3=N2)C=C1,,Methylprednisolone,DB05481
5361,5361,5361,Not Available,NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O,,"6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE",DB01933
5362,5362,5362,Not Available,[H][C@@](O)(CO)COP(O)(=O)OC[C@]([H])(N)C(O)=O,,Coagulation factor VIIa Recombinant Human,DB09198
5363,5363,5363,"Haloperidol is an antipsychotic agent used to treat schizophrenia and other psychoses, as well as symptoms of agitation, irritability, and delirium.",OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,,"(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE",DB07572
5364,5364,5364,"Melperone is an atypical butyrophenone antipsychotic used to treat sleep disorders, confusion, and psychomotor dysfunction associated with geriatric, psychiatric, and alcohol-dependent patients.",CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,,8-azaguanine,DB01997
5365,5365,5365,Not Available,COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC,,"Furo[2,3d]Pyrimidine Antifolate",DB01191
5366,5366,5366,Lanadelumab is a monoclonal antibody targeted against kallikrein which is used to treat attacks of hereditary angioedema.,,EVQLLESGGGLVQPGGSLRLSCAASGFTFSHYIMMWVRQAPGKGLEWVSGIYSSGGITVYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAYRRIGVPRRDEFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,Rimantadine,DB07583
5367,5367,5367,Tolcapone is a catechol-O-methyltransferase (COMT) inhibitor used as adjunct therapy in the symptomatic management of idiopathic Parkinson's disease.,CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O,,CCR5 mAb,DB11633
5368,5368,5368,"For temporary relief of nervousness, anxiety, mood swings, joint pains, weakness, drowsiness, itching and lethargy. Not evaluated by the FDA, homeopathic product.",NCCC1=CNC2=CC=C(O)C=C12,,Baricitinib,DB06422
5369,5369,5369,Metabolic product of biphenyl; from Pseudomonas putida.,OC(=O)C(\O)=C\C=C\C(=O)C1=CC=CC=C1,,"N-{3-[4-Hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide",DB00718
5370,5370,5370,Not Available,CC(=O)[C@H](N)C(O)=O,,Piretanide,DB01158
5371,5371,5371,Meprobamate is an anxiolytic drug used for the short-term management of anxiety symptoms.,CCCC(C)(COC(N)=O)COC(N)=O,,Emapalumab,DB03429
5372,5372,5372,Not Available,CC(C)C[C@H](NC(=O)C1=CC2=CC=CC=C2O1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)C1=CC=CC=N1,,Glymidine,DB05290
5373,5373,5373,Not Available,OC(=O)CN(CCN(CC(O)=O)CC(=O)NCCS)CCN(CC(O)=O)CC(=O)NCCS,,Diroximel fumarate,DB02004
5374,5374,5374,Ethionamide is a second line antitubercular agent used to treat tuberculosis when other treatments have failed.,CCC1=NC=CC(=C1)C(N)=S,,2-phospho-D-glyceric acid,DB04636
5375,5375,5375,Estradiol acetate is an estrogen used to treat vasomotor symptoms and moderate to severe vulvar and vaginal atrophy from menopause.,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(OC(C)=O)C=C3CC[C@@]21[H],,"Biphenyl-2,3-Diol",DB08702
5376,5376,5376,Not Available,[H][C@](NC(=O)OCC1=CC=CC=C1)(C1=CC=C(C=C1)C(N)=N)P(O)(O)=O,,(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE,DB03257
5377,5377,5377,Not Available,[H]\C(C([O-])=O)=C(/C([O-])=O)[C@@]([H])(O)C([O-])=O,,"3-Chloro-9-Ethyl-6,7,8,9,10,11-Hexahydro-7,11-Methanocycloocta[B]Quinolin-12-Amine",DB04249
5378,5378,5378,"KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. KC706 holds potential to treat inflammatory conditions such as rheumatoid arthritis, psoriasis, inflammatory bowel disease and cardiovascular disease.",,,"2c-Methyl-D-Erythritol 2,4-Cyclodiphosphate",DB05659
5379,5379,5379,Not Available,C[C@@H]1CCCN(C1)C(C)=O,,"2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE",DB01604
5380,5380,5380,Cinolazepam is a benzodiazepine used to manage severe and debilitating forms of sleep disorders of various origins in adults.,OC1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N(CCC#N)C1=O,,Aeruginosin 98-B,DB04461
5381,5381,5381,Not Available,CC1=NC=C(COP(O)(O)=O)C(CN[C@H](CCC(O)=O)C(O)=O)=C1O,,"N-[3-[(1-Aminoethyl)(Hydroxy)Phosphoryl]-2-(1,1'-Biphenyl-4-Ylmethyl)Propanoyl]Alanine",DB03478
5382,5382,5382,,CNC(C)CC1CCCCC1,,Pyridoxal phosphate,DB06749
5383,5383,5383,rhIGFBP-3 (recombinant human insulin-like growth factor binding protein-3) is Insmed’s proprietary anti-cancer compound that has demonstrated significant decreases in cancerous growth in several models of human. It is developed by Insmed and is currently under phase I of the clinical trial.,,,Aducanumab,DB02120
5384,5384,5384,"Copper is a transition metal found in a variety of supplements and vitamins, including intravenous solutions for total parenteral nutrition (TPN).",[Cu],,"(2s,4s)-Alpha-Campholinic Acid",DB00244
5385,5385,5385,Not Available,[H][C@](S)(CC1=CC=C(I)C=C1)C(O)=O,,Adamantane-1-Carboxylic Acid-5-Dimethylamino-Naphthalene-1-Sulfonylamino-Butyl-Amide,DB02008
5386,5386,5386,Not Available,CC1(C)CC2=C(SC(=N2)N2CCOCC2)C(=O)C1,,"1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-(5-PYRROLIDIN-2-YL-1H-PYRAZOL-3-YL)-UREA",DB03419
5387,5387,5387,Not Available,CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O,,Corticorelin ovine triflutate,DB03276
5388,5388,5388,Not Available,[H]N([H])C1=NC=NC2=C1N=CN2[C@]1([H])O[C@@]([H])(CO[W](O)(O)=O)[C@]([H])(O)[C@@]1([H])O,,Relebactam,DB16258
5389,5389,5389,Iodine is an ingredient of nutritional supplements that is also used for disinfection.,II,,"7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID",DB03745
5390,5390,5390,Not Available,CC(C)[C@H](NS(=O)(=O)CCCC1=CC=CC=C1)P(O)(=O)C[C@H](C(O)=O)C1=CC=CC(CN)=C1,,"3-[(2,4-Dichlorobenzoyl)(Isopropyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid",DB00552
5391,5391,5391,Not Available,[H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)O[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(\[H])CCCCCCCC)COP(O)(=O)OCCO,,"2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE",DB02753
5392,5392,5392,Not Available,C1CC1C1=NNC(NC2=CC=NC(NC3=CC4=C(NC=N4)C=C3)=N2)=C1,,Carotuximab,DB02240
5393,5393,5393,Not Available,[H][C@]1(CCC[C@]1([H])NC(=O)C1=CC=C(C=C1)N1C=CC=CC1=O)NC(=O)C1=CC=C(Cl)S1,,"2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium",DB03811
5394,5394,5394,Not Available,OC(=O)C=O,,Methylnaltrexone,DB01733
5395,5395,5395,Enmetazobactam is a beta-lactamase inhibitor used to treat complicated urinary tract infections in combination with cefepime.,[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)[C@](C)(CN1C=C[N+](C)=N1)S2(=O)=O,,"N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide",DB00777
5396,5396,5396,Not Available,[H][C@@]1(C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O)OP(O)(O)=O,,"6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL",DB08419
5397,5397,5397,Not Available,CCCCN1C2=C(NC(CC3=CC=C(NC(C)=O)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O,,Pitolisant,DB04669
5398,5398,5398,"Durvalumab is an antineoplastic monoclonal antibody used to treat urothelial carcinoma and locally advanced, unresectable non-small cell lung cancer.",,EVQLVESGGGLVQPGGSLRLSCAASGFTFSRYWMSWVRQAPGKGLEWVANIKQDGSEKYYVDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAREGGWFGELAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPASIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"(5S)-2-{[(1S)-1-(4-Fluorophenyl)ethyl]amino}-5-(2-hydroxy-2-propanyl)-5-methyl-1,3-thiazol-4(5H)-one",DB11679
5399,5399,5399,Enzalutamide is a second-generation androgen receptor inhibitor used to treat castration-resistant prostate cancer and metastatic castration-sensitive prostate cancer.,CNC(=O)C1=C(F)C=C(C=C1)N1C(=S)N(C(=O)C1(C)C)C1=CC=C(C#N)C(=C1)C(F)(F)F,,Apalutamide,DB12715
5400,5400,5400,Not Available,CC(S)C1=C2C=C3C(C)=C(C(C)S)C4=[N+]3[Fe--]35N6C(=C4)C(C)=C(CCC(O)=O)C6=CC4=[N+]3C(=CC(N25)=C1C)C(C)=C4CCC(O)=O,,Trimethoprim,DB00943
5401,5401,5401,Not Available,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=C(F)N=C12,,Glucosamine 1-Phosphate,DB08512
5402,5402,5402,Not Available,OC(=O)COC1=C(SC(=C1Br)C1=CC=CC=C1)C(O)=O,,Mepenzolate,DB02581
5403,5403,5403,Not Available,OC(=O)CCC(=O)NC1=CC=C(Br)C=N1,,"2',3'-Dehydro-2',3'-Deoxy-Thymidine 5'-Diphosphate",DB13720
5404,5404,5404,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@@]2([H])F)C1=O,,"(S)-5-(7-(4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole",DB02893
5405,5405,5405,"Catumaxumab is a trifunctional monoclonal antibody developed for use in cancer treatment. It has affinity for T-cells, accessory immune cells, and cancer cells. Catumaxumab was initially authorized for market by the European Medicines Agency in April 2009 for the treatment of malignant ascites 3. Its market authorization was withdrawn in the EU in June 2017 at the manufacturer's request due to the company's insolvency. Catumaxumab was approved for market in Canada in May 2012 for the same condition Label. It is currently available under the brand name Removab.",,,Taurine,DB04832
5406,5406,5406,Pyridoxal phosphate is a vitamin available in many formulations to correct vitamin B6 deficiency.,CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O,,Crizanlizumab,DB08399
5407,5407,5407,"Danaparoid is a heparinoid with anticoagulant and antithrombotic activities used for the treatment of acute episode of Heparin-Induced Thrombocytopenia (HIT), and for prophylaxis in patients with a history of HIT.",,,4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine,DB01761
5408,5408,5408,Talquetamab is a bispecific antibody used to treat adults with relapsed or refractory multiple myeloma.,,EVQLVESGGGLVQPGGSLRLSCAASGFTFNTYAMNWVRQAPGKGLEWVARIRSKYNNYATYYAASVKGRFTISRDDSKNSLYLQMNSLKTEDTAVYYCARHGNFGNSYVSWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTSKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFLLYSKLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Tazemetostat,DB02840
5409,5409,5409,Equine Botulinum Neurotoxin B Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,Revusiran,DB11186
5410,5410,5410,Not Available,O[S@@](=O)C1=CC=CC=C1C1=CC=CC=C1,,"1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)-CYCLOHEXANE-1-CARBOXYLIC A CID",DB09031
5411,5411,5411,DDP225 is both a noradrenaline reuptake inhibitor and a serotonin type 3 receptor (5-HT3) antagonist. Noradrenaline and serotonin are neurotransmitters that are known to be involved in the control of the gastrointestinal system. The unique combination of noradrenaline reuptake inhibition and 5-HT3 antagonism in one orally delivered compound represents a novel approach to treating IBS-d and other functional GI diseases. Dynogen licensed preclinical and clinical data related to DDP225 from Mitsubishi Pharma in October 2003.,O.Cl.CC1=CC2=C(N=C(N=C2S1)N1CCNCC1)C1=CC=CC=C1F,,Lusutrombopag,DB04040
5412,5412,5412,Not Available,CCC(CC)NC1=CC(=CC=C1N1C(=O)CCC1(CO)CO)C(O)=O,,Aprotinin,DB07471
5413,5413,5413,Calcitriol is an active metabolite of vitamin D that is used to treat hyperparathyroidism and is also used in dialysis patients to combat hypocalcemia.,C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C,,Colchiceine,DB01667
5414,5414,5414,Viomycin is a tuberactinomycin antibiotic that was used to treat Mycobacterium tuberculosis until it was replaced by the less toxic capreomycin. These drugs bind RNA in bacterial ribosomes and inhibit protein synthesis. Viomycin was derived from the actinomycete Streptomyces puniceus.,[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O,,Allyl-{4-[3-(4-Bromo-Phenyl)-Benzofuran-6-Yloxy]-but-2-Enyl}-Methyl-Amine,DB02872
5415,5415,5415,Not Available,N[C@@H](CC1=CNC2=C1C=CC=C2)C(N)=O,,Pexidartinib,DB02629
5416,5416,5416,Not Available,CC1=CC2=NC3=C(N=C2C=C1C)C(=O)NC(=O)N3,,Geldanamycin,DB07451
5417,5417,5417,Not Available,CC(=O)CC(O)=O,,Glyoxylic acid,DB09225
5418,5418,5418,Not Available,CSCCC(=O)C(O)=O,,N-Acetyl-glucosamine thiazoline,DB08906
5419,5419,5419,Not Available,[H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O,,Tetraferric tricitrate decahydrateCommonly known or available as Ferric citrate,DB00094
5420,5420,5420,A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem],O[C@H](CS)[C@H](O)CS,,"(2s,3s)-Trans-2,3-Dihydro-3-Hydroxyanthranilic Acid",DB08068
5421,5421,5421,Nisoldipine is a calcium channel blocker used as monotherapy or combined with other drugs for the treatment of hypertension.,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C,,N-Bromoacetyl-Aminoethyl Phosphate,DB07065
5422,5422,5422,Pentazocine is an analgesic used to treat moderate to severe pain.,CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C(C)C,,4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide,DB07136
5423,5423,5423,Not Available,[H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC(Cl)=CC=C1,,Corticotropin,DB01108
5424,5424,5424,Potassium sulfate is an osmotic laxative used to cleanse the colon before a colonoscopy.,[K+].[K+].[O-]S([O-])(=O)=O,,Brivaracetam,DB01602
5425,5425,5425,Not Available,[H]N(C)C(=O)[C@@H](N([H])C(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N([H])[C@@H]([C@@H](C)CC)C(=O)N([H])C)[C@@H](C)CC,,"N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide",DB07700
5426,5426,5426,"3-Methylfentanyl is an opioid analgesic and is an analog of the potent opioid, fentanyl. 3-Methylfentanyl is one of the most powerful opioid drugs sold illegally and is estimated to be between 400-6000 times more potent than morphine in certain cases. 3-Methylfentanyl was initially discovered in 1974 and widespread illegal use of this drug has occurred since this time.",CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1,,Mycophenolate mofetil,DB00301
5427,5427,5427,"Flumethasone is a corticosteroid used to treat contact dermatitis, atopic dermatitis, eczema, psoriasis, diaper rash, and other skin conditions.",[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,"(4e,8e,12z,16z)-N,N,4,8,13,17,21-Heptamethyldocosa-4,8,12,16,20-Pentaen-1-Amine",DB04100
5428,5428,5428,Not Available,NCCCNC1=CC=CC=C1[N+]([O-])=O,,Lecanemab,DB08341
5429,5429,5429,Not Available,CCCCCCC(N)=O,,Betibeglogene autotemcel,DB04746
5430,5430,5430,Not Available,[H][C@](N)(CC1=CC=C(C=C1)C1=CC=CC=C1)C(O)=O,,Aminophylline,DB08156
5431,5431,5431,Not Available,[H][C@]1(CO)O\C(=N/OC(=O)NC2=CC=CC=C2)[C@]([H])(NC(=O)CCCC)[C@@]([H])(O)[C@]1([H])O,,Agkistrodon piscivorus antivenin,DB06579
5432,5432,5432,Not Available,CC(=O)[C@@H](N)COCC1=CC=CC=C1,,Thrombopoietin,DB07935
5433,5433,5433,"(S)-5-(7-(4-(4-Ethyl-4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This substance targets the protein genome polyprotein.",CC[C@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1,,"[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID",DB00788
5434,5434,5434,Not Available,O=C1N(CCC2=NN=NN2)C(=O)C2=CC=CC=C12,,FavId,DB02483
5435,5435,5435,Not Available,[H]N([C@H]1[C@@H](O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O)C(C)=O,,1-Methylimidazole,DB01466
5436,5436,5436,Oxyphenbutazone is a nonsteroidal anti-inflammatory drug (NSAID) no longer commonly used for the symptomatic relief of musculoskeletal pain.,CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1,,"5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile",DB08610
5437,5437,5437,Metamizole is an antipyretic and analgesic drug used to relieve severe and persistent fever and pain.,CN(CS(O)(=O)=O)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,,"6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB00977
5438,5438,5438,"Norethisterone is a synthetic second-generation progestin used for contraception, prevention of endometrial hyperplasia in hormone replacement therapy, and in the treatment of other hormone-mediated illnesses such as endometriosis.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,S-NONYL-CYSTEINE,DB00067
5439,5439,5439,Indacaterol is an inhaled long-acting beta-2 adrenergic agonist used to relax bronchial smooth muscle and improve symptoms and airflow obstruction caused by Chronic Obstructive Pulmonary Disease (COPD) and moderate to severe asthma.,CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1,,2'-Deoxycytidine 5'-triphosphate,DB01968
5440,5440,5440,Imidafenacin is an antispasmodic with anticholinergic effects used to reduce urinary frequency.,CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1,,Hexylresorcinol,DB02662
5441,5441,5441,"JNJ-27390467 is a potent, nonpeptide inhibitor of human mast cell tryptase.",NCC1=CC=C2OCC3(CCN(CC3)C(=O)C3=CC=C(O3)C#CC3=CC=CC=C3)C2=C1,,Diguanosine-5'-Triphosphate,DB03502
5442,5442,5442,Cefacetrile is a broad-spectrum first-generation cephalosporin used for the treatment of susceptible bacterial infections.,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O,,"2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine",DB06939
5443,5443,5443,Not Available,CC1=CC=C(O)C(O)=C1,,Methyltestosterone,DB03903
5444,5444,5444,Not Available,[H][C@@]12CCCN1C(=O)C1=C(O2)C=C2OCCOC2=C1,,N-Cyclohexyl-N'-(Propyl)Phenyl Urea,DB01691
5445,5445,5445,"Morniflumate is an NSAID derived from niflumic acid used in the symptomatic treatment of inflammatory conditions of the airways, ENT, and the urogenital and osteoarticular systems.",FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1,,5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID,DB06116
5446,5446,5446,Not Available,COC(NC(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)(C=O)[C@H]1OCC(=C)C(=N1)C(O)=O,,"2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide",DB04215
5447,5447,5447,Not Available,[H][C@]1(CSC(CCCCCN)=CCN)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Lomerizine,DB02555
5448,5448,5448,"Choline magnesium trisalicylate is a non-acetylated salicylate used widely as a nonsteroidal anti-inflammatory drug. Trisalicylate significantly reduces methotrexate renal clearance, displacing methotrexate from protein, increasing the fraction unbound by 28% 1,2.",[Mg++].C[N+](C)(C)CCO.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O,,Methyl red,DB07079
5449,5449,5449,"LY2140023 is an investigational drug from Lilly, which is being developed as a new treatment option for schizophrenia. LY2140023 is an oral ""prodrug,"" meaning it is devoid of intrinsic biological activity and, once administered, is metabolized to provide the active mGlu2/3 receptor agonist called LY404039. Most currently approved antipsychotic medications work by affecting the neurotransmitters dopamine or serotonin. For LY2140023, the active substance, LY404039, is thought to work by reducing the presynaptic release of another neurotransmitter, glutamate, in brain regions where mGlu2/3 receptors are expressed. Further studies are planned or are ongoing to learn more about the safety and effectiveness, including determining an optimal therapeutic dose for LY2140023.",,,Clozapine,DB05752
5450,5450,5450,Erteberel is an estrogen receptor beta agonist that has been used in trials studying the treatment of Benign Prostatic Hyperplasia.,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1)C1=CC=C(O)C=C1,,N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide,DB09129
5451,5451,5451,Not Available,CN(C)CC1=CC=C(CSCCNC(=O)NC2=CC=C(C)C(Cl)=C2)O1,,4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE,DB01612
5452,5452,5452,Isradipine is a dihydropyridine calcium channel blocker used for the treatment of hypertension.,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C,,ORG-34517,DB00897
5453,5453,5453,"Isoetharine is a relatively selective beta-2 adrenergic agonist. It is a catechol-like agent. Isoetharine is a fast-acting bronchodilator used for emphysema, bronchitis and asthma.1",CCC(NC(C)C)C(O)C1=CC(O)=C(O)C=C1,,Reidispongiolide C,DB01393
5454,5454,5454,Not Available,CC(=O)N1C2=CC=CC=C2C2=C1C(=O)CCC2,,Vibegron,DB08161
5455,5455,5455,Not Available,C[C@@](N)(C(O)=O)C1=CC=C(C=C1)C(O)=O,,N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline,DB07190
5456,5456,5456,"Estradiol valerate is an estradiol prodrug used to treat some effects of menopause, hypoestrogenism, androgen dependant carcinoma of the prostate, and in combination products for endometriosis and contraception.",[H][C@@]12CC[C@H](OC(=O)CCCC)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,Betazole,DB11866
5457,5457,5457,Not Available,[H][C@@](CCC(O)=O)(NC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(F)(F)P(O)(O)=O)C(N)=O,,1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA,DB09059
5458,5458,5458,Not Available,[H][C@@](C)(O)N[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CO,,Bertilimumab,DB03748
5459,5459,5459,Pibrentasvir is a Hepatitis C NS5A inhibitor used to treat Hepatitis C.,CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1C1=NC2=C(N1)C=C(F)C(=C2)[C@H]1CC[C@@H](N1C1=CC(F)=C(N2CCC(CC2)C2=CC=C(F)C=C2)C(F)=C1)C1=CC2=C(NC(=N2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C=C1F,,4-Iodo-D-phenylalanine,DB02209
5460,5460,5460,Not Available,[H][C@@](CF)(OP(O)(O)=O)C(O)=O,,Tetrahydropalmatine,DB03901
5461,5461,5461,Titanium dioxide is a sunscreen agent found in sunscreens that absorbs UV rays.,O=[Ti]=O,,Avacincaptad pegol,DB09048
5462,5462,5462,Not Available,[H][C@@](C)(COC1=CC=C(C=C1)[C@]1([H])OC2=C(S[C@]1([H])C1=CC=C(O)C=C1)C=C(O)C=C2)N1CCCC1,,Naloxegol,DB00649
5463,5463,5463,"Ezetimibe is a cholesterol absorption inhibitor used to lower total cholesterol, LDL-C, Apo-B, and non-HDL-C in primary hyperlipidemia and familial cholesterolemia.",[H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1,,"Adenosine-5'-[Beta, Gamma-Methylene]Tetraphosphate",DB00197
5464,5464,5464,"A novel anti-cancer compound synthesized by scientists at the University of California, San Diego more than a decade ago from toxins of the poisonous jack-o-lantern mushroom, has been granted “fast track” status by the U.S. Food and Drug Administration (FDA) after demonstrating promise against one of the most deadly cancers.",CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,,"6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE",DB07186
5465,5465,5465,"Camptothecin is an alkaloid isolated from the stem wood of the Chinese tree, Camptotheca acuminata. This compound selectively inhibits the nuclear enzyme DNA topoisomerase, type I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity.",CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O,,Freselestat,DB01231
5466,5466,5466,Not Available,CN1N=CC2=C1C(NCCC1=CN=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)S1)=NC=N2,,"3-(4-Amino-2-Tert-Butyl-5-Methyl-Phenylsulfanyl)-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxy-Phenyl)-Ethyl]-5,6-Dihydro-Pyran-2-One",DB14895
5467,5467,5467,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,,Elocalcitol,DB12147
5468,5468,5468,Ramelteon is a melatonin receptor agonist used to treat insomnia.,CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2,,4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid,DB01553
5469,5469,5469,"Atenolol is a synthetic beta-1 selective blocker used in the management of hypertension and chronic angina, and to reduce mortality in known or suspected myocardial infarction in hemodynamically stable patients.",CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1,,Revefenacin,DB03486
5470,5470,5470,Pipecuronium is a nondepolarizing neuromuscular blocking agent used to relax muscles during anesthesia and surgical procedures.,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CC[N+](C)(C)CC1)N1CC[N+](C)(C)CC1,,2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE,DB08069
5471,5471,5471,"Demegestone is a progesterone receptor agonist that was previously used to treat luteal insufficiency. It was previously marketed in France as Lutionex, but has since been discontinued.",[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H],,Calcipotriol,DB06874
5472,5472,5472,Not Available,[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1,,Trazodone,DB08017
5473,5473,5473,Not Available,OC1=CC2=C(C=C1)N=C(O2)C1=C2C=CC=C(O)C2=CC=C1,,"2,6-Difluorobenzenesulfonamide",DB08770
5474,5474,5474,Not Available,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)(=O)=O,,Cannabidiol,DB01208
5475,5475,5475,"Docetaxel is a taxoid antineoplastic agent used in the treatment of various cancers, such as locally advanced or metastatic breast cancer, metastatic prostate cancer, gastric adenocarcinoma, and head and neck cancer.",[H][C@@]1(C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1,,Estradiol benzoate,DB08873
5476,5476,5476,Not Available,OC1=CC=C(O)C2=C1C(=O)C1=C(C(O)=C(O)C=C1)C2=O,,(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID,DB03030
5477,5477,5477,Momelotinib is a Janus Kinase inhibitor used to treat intermediate or high-risk myelofibrosis.,O=C(NCC#N)C1=CC=C(C=C1)C1=CC=NC(NC2=CC=C(C=C2)N2CCOCC2)=N1,,N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide,DB00991
5478,5478,5478,"Flumazenil is a benzodiazepine antagonist that is used for the complete or partial reversal of the sedative effects caused by benzodiazepines in various clinical settings, such as induced general anesthesia for diagnostic and therapeutic procedures.",CCOC(=O)C1=C2CN(C)C(=O)C3=C(C=CC(F)=C3)N2C=N1,,Tecovirimat,DB07536
5479,5479,5479,Not Available,C(NC1=CC=CC=C1)C1=CC=CN=C1,,Dimethylallyl S-Thiolodiphosphate,DB07957
5480,5480,5480,Alitretinoin is a vitamin A derivative used to treat Kaposi's sarcoma and used off label to treat chronic hand eczema and psoriasis.,C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O,,Fosmidomycin,DB06274
5481,5481,5481,Axitinib is an oral VEGFR and kinase inhibitor used for the treatment of advanced renal cell carcinoma after failure of one prior systemic therapy.,CNC(=O)C1=C(SC2=CC=C3C(NN=C3\C=C\C3=CC=CC=N3)=C2)C=CC=C1,,Vercirnon,DB07672
5482,5482,5482,"5-fluorouridine is also known as FUrd, 5-Fluorouracil 1-beta-D-ribofuranoside, 5-Fur, or 5-Fluoro-uridine. 5-fluorouridine is a solid. This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar. 5-fluorouridine is known to target uridine phosphorylase. FUrd is often used in chemical and biochemical comparison studies with fluorouracil and thymine analogs.",OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(F)C(=O)NC1=O,,Von Willebrand factor human,DB05993
5483,5483,5483,Elagolix is a gonadotropin releasing hormone receptor antagonist used to treat moderate to severe pain in endometriosis.,COC1=CC=CC(=C1F)C1=C(C)N(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C1=O,,1-Hydroxy-1-Thio-Glycerol,DB01342
5484,5484,5484,Not Available,[H][C@](N)(CCC(=O)O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]1(O)F)C(O)=O,,"(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE",DB03364
5485,5485,5485,"Favipiravir is an antiviral used to manage influenza, and that has the potential to target other viral infections.",NC(=O)C1=NC(F)=CN=C1O,,3-Cyclohexyl-L-alanine,DB08416
5486,5486,5486,Equine Botulinum Neurotoxin F Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,"N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide",DB03893
5487,5487,5487,Butabarbital is a barbiturate drug used as a sedative and hypnotic.,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,,"2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine",DB03886
5488,5488,5488,Not Available,[H][C@](NC(=O)CCC(O)=O)(C(O)=O)C1=CC=CC=C1,,"(1R)-1,2,2-trimethylpropyl (R)-methylphosphinate",DB01083
5489,5489,5489,Not Available,OC(=O)CC1=CC=C(C=C1)C1=CC=CC=C1,,Guanosine 5'-diphosphate 2':3'-cyclic monophosphate,DB03445
5490,5490,5490,Not Available,OC(=O)CN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23,,Stanolone,DB00531
5491,5491,5491,Not Available,N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,,Leukotriene D4,DB08703
5492,5492,5492,Not Available,CN[C@H](CC(C)C)C(O)=O,,3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE,DB01214
5493,5493,5493,Carbetocin is an oxytocin agent used to control postpartum hemorrhage and bleeding after giving birth.,[H][C@]1(NC(=O)[C@H](CC2=CC=C(OC)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC,,[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE,DB00146
5494,5494,5494,Saprisartan is an AT1 receptor antagonist. It is based on medications of losartan's prototypical chemical structure. The mode of (functional) AT1 receptor antagonism has been characterized as insurmountable/noncompetitive for saprisartan. It is very likely that slow dissociation kinetics from the AT1 receptor underlie insurmountable antagonism 1.,CCC1=NC(C2CC2)=C(N1CC1=CC2=C(OC(=C2Br)C2=CC=CC=C2NS(=O)(=O)C(F)(F)F)C=C1)C(N)=O,,3-Iodo-Tyrosine,DB02558
5495,5495,5495,Not Available,[H]N1C2=C(N(CCCOP(O)(O)=O)C(=O)N2C[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N([H])C1=O,,Mocetinostat,DB00342
5496,5496,5496,Not Available,[H][C@]1(CC=C(C)C)O[C@]1(C)[C@@]1(O)[C@]([H])(OC)C(=O)CC[C@@]1(C)O,,A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor,DB01422
5497,5497,5497,Gallamine triethiodide is a nondepolarizing nerve blocker used in addition to anesthesia to cause skeletal muscle relaxation.,[I-].[I-].[I-].CC[N+](CC)(CC)CCOC1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC,,"N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide",DB04925
5498,5498,5498,"Pasireotide is a somatostatin analog used in the treatment of Cushing’s disease, specifically for those patients whom pituitary surgery is not appropriate.",NCCCC[C@@H]1NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(OCC3=CC=CC=C3)C=C2)NC1=O)OC(=O)NCCN)C1=CC=CC=C1,,"4-(6-HYDROXY-BENZO[D]ISOXAZOL-3-YL)BENZENE-1,3-DIOL",DB07855
5499,5499,5499,Not Available,BrC1=CN=C2N1C=C(C=C2NCC1=CN=CN=C1)C1=CC=CC=C1,,SUVN-502,DB06836
5500,5500,5500,Not Available,[H][C@]12C=CCC=C1C=CC1=CC(O)=CC=C1N2CC1=NC2=C(N)N=C(N)N=C2N=C1,,"1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE",DB03006
5501,5501,5501,Not Available,C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,,"4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol",DB00152
5502,5502,5502,Not Available,O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O,,1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE,DB04024
5503,5503,5503,"ORG-34517 is currently under investigation by Organon for the treatment of depression. It has potential to treat a number of diseases such as Cushing’s disease, hypertension, diabetes, glaucoma etc, in which the activity of metabolites corticosterone and cortisol is high.",[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C3OCOC3=C1)C1=C3CCC(=O)C=C3CC[C@@]21[H],,Carbetocin,DB08042
5504,5504,5504,Not Available,CNC(C)CC1=CC=CC=C1OC,,Aconitate Ion,DB05134
5505,5505,5505,Not Available,[H][C@@](C)(\N=C\C1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O,,2-Hydroxyethyl Disulfide,DB03110
5506,5506,5506,Not Available,[H]C(CCCC(O)=O)=C([H])CC1C(\C([H])=C(/[H])C(=O)CCCCC)C(O)CC1=O,,L-Histidine Beta Naphthylamide,DB18716
5507,5507,5507,Dexmethylphenidate is a norepinephrine-dopamine reuptake inhibitor used in the treatment of ADHD in conjunction with other therapies.,[H][C@@](C(=O)OC)(C1=CC=CC=C1)[C@@]1([H])CCCCN1,,Ursolic acid,DB01039
5508,5508,5508,Not Available,NC1=NC=C(O1)C(=O)C1=CC(Br)=CC=C1,,"3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID",DB11853
5509,5509,5509,"Venlafaxine is a selective serotonin and norepinephrine reuptake inhibitor (SNRI) used for the treatment of major depression, generalized or social anxiety disorder, and panic disorder.",COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1,,Cannabidivarin,DB01161
5510,5510,5510,A potent inhibitor of membrane metalloendopeptidase (enkephalinase). Thiorphan potentiates morphine-induced analgesia and attenuates naloxone-precipitated withdrawal symptoms.,[H][C@](CS)(CC1=CC=CC=C1)C(=O)NCC(O)=O,,Robenacoxib,DB07512
5511,5511,5511,Nusinersen is a medication used to treat spinal muscular atrophy.,,,Beta-3-Serine,DB00417
5512,5512,5512,Not Available,NC(=N)C1=CC2=C(NC(=C2)C2=C(O)C(Br)=CC(CC([O-])=O)=C2)C=C1,,4-[Hydroxy-[Methyl-Phosphinoyl]]-3-Oxo-Butanoic Acid,DB06479
5513,5513,5513,Lamotrigine is a phenyltriazine antiepileptic used to treat some types of epilepsy and bipolar I disorder.,NC1=NC(N)=C(N=N1)C1=C(Cl)C(Cl)=CC=C1,,Burosumab,DB07586
5514,5514,5514,Not Available,[H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C,,Troleandomycin,DB14017
5515,5515,5515,"GW 597599, a neurokinin-1 (NK1) receptor antagonist is currently in phase II trials for chemotherapy-induced vomiting; functional dyspepsia; depression and anxiety.",,,Oxybutynin,DB04293
5516,5516,5516,"Albuterol is a beta-2 adrenergic receptor agonist used to treat asthma, bronchitis, COPD, as well as prevent exercise induced bronchospasms.",CC(C)(C)NCC(O)C1=CC(CO)=C(O)C=C1,,"6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE",DB04196
5517,5517,5517,SO-101(Silenor) is a low-dose oral tablet formulation of doxepin hydrochloride that is patent protected for its use in insomnia. Doxepin has been prescribed for more than 40 years for the treatment of depression and anxiety at dosages typically ranging from 75 mg to 300 mg per day.,,,3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID,DB04828
5518,5518,5518,Flunarizine is a selective calcium-entry blocker used as migraine prophylaxis in patients with severe and frequent episodes who have not responded adequately to more common treatments.,FC1=CC=C(C=C1)C(N1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1,,"2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID",DB03316
5519,5519,5519,Not Available,[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O[C@]3([H])[C@@]([H])(CO)N=C(NO)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,"(2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine",DB05590
5520,5520,5520,Not Available,[H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)O[P@](O)(=O)C1=CC=CC=C1,,Chlorophyll A,DB14123
5521,5521,5521,Not Available,OC(=O)CCCCCCNC(=O)NC1CCCCC1,,Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide,DB15456
5522,5522,5522,Not Available,C[C@@]1(CCC2=CC=CC=C2)NC2=C(N=C1CO)C(=O)NC(N)=N2,,99mTc-14 F7 Mab,DB07252
5523,5523,5523,Not Available,[H][C@@](N)(CC1=CC=C(I)C=C1)C(=O)NO,,(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide,DB07953
5524,5524,5524,Not Available,CN[C@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Hyaluronidase (human recombinant),DB07907
5525,5525,5525,"Tadalafil is a phosphodiesterase 5 inhibitor used to treat erectile dysfunction, benign prostatic hyperplasia, and pulmonary arterial hypertension.",[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(C)C2=O)C1=CC2=C(OCO2)C=C1,,"1-[4-Carboxy-2-(3-Pentylamino)Phenyl]-5,5'-Di(Hydroxymethyl)Pyrrolidin-2-One",DB08514
5526,5526,5526,Not Available,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,,(3R)-3-HYDROXYDODECANOIC ACID,DB04659
5527,5527,5527,"Nadroparin is a low molecular weight heparin used for the prophylaxis of thrombotic events and deep vein thrombosis, and prevent unstable angina and non-Q-wave myocardial infarction.",,,(R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE,DB07543
5528,5528,5528,"Gestrinone, also known as ethylnorgestrienone, is a synthetic steroid of the 19-nortestosterone group that is marketed in Europe, Australia, and Latin America, though not the United States or Canada, and is used primarily in the treatment of endometriosis.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],,(S)-Aspartimide,DB04098
5529,5529,5529,Not Available,O[C@@H]1[C@@H](O)[C@@H](CC2=CC=CC=C2)N(CC2=CC(=CC=C2)C(=O)NC2=NC=CS2)C(=O)N(CC2CC2)[C@@H]1CC1=CC=CC=C1,,Meloxicam,DB02587
5530,5530,5530,Not Available,[H][C@]1(NC(C(O)=O)=C2[C@]1([H])CCC[C@]2([H])OC)C(=C/C)\C=O,,Urea,DB00811
5531,5531,5531,Benzbromarone is a uricosuric agent which is taken daily for the prevention of gout flares.,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1,,Flavone,DB09131
5532,5532,5532,N-Hydroxy-nor-L-arginine (nor-NOHA) is under investigation in clinical trial NCT02009527 (Arginase Inhibition in Ischemia-reperfusion Injury).,N[C@@H](CCNC(=N)NO)C(O)=O,,Irinotecan,DB08536
5533,5533,5533,Not Available,[H][C@@](CSCC1=CC=CC=C1)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)N1CCOCC1)C=O,,"[1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)",DB09273
5534,5534,5534,Not Available,,,"[2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine",DB07336
5535,5535,5535,"Serves as the glycosyl donor for formation of bacterial glycogen, amylose in green algae, and amylopectin in higher plants. [PubChem]",NC1=C2N=CN([C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,,Adenosine-5'-ditungstate,DB05662
5536,5536,5536,Not Available,NC(N)=NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1,,D-Methionine,DB03947
5537,5537,5537,Not Available,NC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2,,Beta-D-Fructopyranose,DB02917
5538,5538,5538,Ilomastat is a broad-spectrum matrix metalloproteinase inhibitor.,CNC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)CC(=O)NO,,N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE,DB01709
5539,5539,5539,Not Available,COC1=CC=C(C=C1)C(O)=O,,"5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID",DB05421
5540,5540,5540,Not Available,[H][C@](N)(CC1=CN=CN1)C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Indirubin,DB02177
5541,5541,5541,Not Available,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,,Gemcitabine,DB03237
5542,5542,5542,Not Available,FC1=C(CC2=NNC(=O)C=C2)C=CC(Cl)=C1OC1=CC=CC=C1,,Prostaglandin G2,DB06606
5543,5543,5543,Thiothixene is an antipsychotic indicated for the management of schizophrenia.,CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1,,Trastuzumab deruxtecan,DB00388
5544,5544,5544,Rilmenidine is an I1-imidazoline receptor agonist used to treat hypertension.,C1CC1C(NC1=NCCO1)C1CC1,,Capivasertib,DB03659
5545,5545,5545,Dacarbazine is an antineoplastic agent used to treat malignant melanoma and Hodgkin's disease.,CN(C)\N=N\C1=C(N=CN1)C(N)=O,,(S)-famoxadone,DB02686
5546,5546,5546,Sulbactam is an beta-lactamase inhibitor antibiotic combined with other antibiotics to treat a variety of susceptible bacterial infections.,[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O,,"N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine",DB00450
5547,5547,5547,Doxapram is a short acting respiratory stimulant used to treat acute respiratory insufficiency in COPD patients.,CCN1CC(CCN2CCOCC2)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,,Azilsartan medoxomil,DB02145
5548,5548,5548,Roxithromycin is an antibiotic used to treat a variety of susceptible bacterial infections.,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,,Ketamine,DB02381
5549,5549,5549,Not Available,[H][C@]12CC[C@](O)(N1)[C@@H](O)[C@H](O)[C@H]2O,,"5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine",DB01163
5550,5550,5550,Not Available,NC1=CC=C2C(=O)NNC(=O)C2=C1,,D-Threonine,DB03906
5551,5551,5551,Not Available,[H]OP([O-])(=O)O[H],,methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate,DB14914
5552,5552,5552,Ecallantide is a kallikrein inhibitor used to prevent and treat acute attacks caused by Hereditary Angioedema (HAE).,,EAMHSFCAFKADDGPCRAAHPRWFFNIFTRQCEEFIYGGCEGNQNRFESLEECKKMCTRD,Trilostane,DB00243
5553,5553,5553,Not Available,NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1,,Gentamicin,DB04642
5554,5554,5554,A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES. [PubChem],OC(=O)C1=CC2=C(N1)C1=C(N=C(C=C1C(O)=O)C(O)=O)C(=O)C2=O,,Futibatinib,DB04386
5555,5555,5555,Almitrine is a respiratory stimulant that enhances respiration by acting as an agonist of peripheral chemoreceptors located on the carotid bodies. It is used in the treatment of chronic obstructive pulmonary disease. It is also reported to have a potentially beneficial effect in treating the noctural oxygen desaturation without impairing the quality of sleep.,FC1=CC=C(C=C1)C(N1CCN(CC1)C1=NC(NCC=C)=NC(NCC=C)=N1)C1=CC=C(F)C=C1,,S-(4-nitrobenzyl)glutathione,DB07983
5556,5556,5556,Not Available,CC1CCN(CC1)C1=CC=C(CO)C=C1NC(=O)C1=CC=C(O1)C#N,,Oliceridine,DB05871
5557,5557,5557,"Sirolimus is an mTOR inhibitor immunosuppressant used to prevent organ transplant rejections, treat lymphangioleiomyomatosis, and treat adults with perivascular epithelioid cell tumors.",[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC,,"(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE",DB14989
5558,5558,5558,Sotatercept is a recombinant activin receptor fusion protein used to treat pulmonary arterial hypertension.,,ILGRSETQECLFFNANWEKDRTNQTGVEPCYGDKDKRRHCFATWKNISGSIEIVKQGCWLDDINCYDRTDCVEKKDSPEVYFCCCEGNMCNEKFSYFPEMEVTQPTSNPVTPKPPTGGGTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPVPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Inhibitor of P38 Kinase,DB01131
5559,5559,5559,"Probenecid is a medication used to treat gouty arthritis, tophaceous gout, and hyperuricemia.",CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O,,Catumaxomab,DB08806
5560,5560,5560,Pexidartinib is an antitumor agent that is used for the treatment of rare disease tenosynovial giant cell tumors (TGCT) by inhibiting colony-stimulating factor 1 and its receptor.,FC(F)(F)C1=CC=C(CNC2=NC=C(CC3=CNC4=NC=C(Cl)C=C34)C=C2)C=N1,,Olokizumab,DB03451
5561,5561,5561,"Arformoterol is a beta-2 adrenergic agonist and bronchodilator used for long-term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema.",COC1=CC=C(C[C@@H](C)NC[C@H](O)C2=CC(NC=O)=C(O)C=C2)C=C1,,Muromonab,DB01186
5562,5562,5562,Not Available,CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(O)=O)O1,,Resorcinol,DB09028
5563,5563,5563,Not Available,N[C@@H](C(=O)N[C@@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1,,"1-[5-Methyl-2-(trifluoromethyl)furan-3-yl]-3-[5-[2-[[6-(1H-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea",DB07827
5564,5564,5564,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(OS(O)(=O)=O)[C@@]1([H])O,,Secobarbital,DB06283
5565,5565,5565,Not Available,[H][C@]1(CCF)CNC(=O)C2=C1NC(=C2)C1=NC(N)=NC=C1,,MCC,DB02703
5566,5566,5566,Not Available,[H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)C(=O)CCN,,Teverelix,DB08618
5567,5567,5567,Not Available,CC1=CC=C(C=C1)S(=O)(=O)NCCCOC(=O)NC1=CC=NC=C1,,4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID,DB11674
5568,5568,5568,Not Available,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,,8-chlorotheophylline,DB08513
5569,5569,5569,"Pelitinib (EKB-569) is a potent, low molecular weight, selective, and irreversible inhibitor of epidermal growth factor receptor (EGFR) that is being developed as an anticancer agent.",CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC1=CC(Cl)=C(F)C=C1)=C(C=N2)C#N,,Technetium Tc-99m arcitumomab,DB03828
5570,5570,5570,Not Available,CN1C=C(C(=N1)C1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1)C1=CC=NC=C1,,Torcetrapib,DB03687
5571,5571,5571,Cefdinir is a third generation cephalosporin used to treat susceptible Gram negative and Gram positive bacterial infections.,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O,,Amylocaine,DB01483
5572,5572,5572,"Tetrahydrofolic acid is a folic acid derivative that is produced from dihydrofolic acid after conversion by dihydrofolate reductase. It is converted into 5,10-methylenetetrahydrofolate by serine hydroxymethyltransferase. It is a soluble coenzyme in many reactions, especially in the metabolism of amino acids and nucleic acids.",NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)N1,,Ribostamycin,DB07327
5573,5573,5573,Not Available,[H][C@](CC=C)(C=O)[C@@]1([H])CCC[C@]1([H])O,,Catridecacog,DB06802
5574,5574,5574,"Modafinil is a stimulant used to improve wakefulness in patients with sleep apnea, narcolepsy, or shift work disorder.",NC(=O)CS(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,"(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile",DB04157
5575,5575,5575,Not Available,CC(C)C[C@@H](N=C(N)N)C(=O)NCC(=O)N1CCC(CC1)C1=CC(=NN1C)C1=C(Cl)C(Cl)=C(OCC2=CC=C(NC(C)=O)C=C2)C=C1,,"N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DB04352
5576,5576,5576,Not Available,[H][C@@]1(CO)C[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)O1,,N-Ethyl-5'-Carboxamido Adenosine,DB03879
5577,5577,5577,Not Available,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(Cl)C=C2)C=C1,,Protoporphyrin Ix Containing Co,DB00177
5578,5578,5578,Not Available,CCC1=C(C)NC(=O)C(I)=C1OC1=CC=CC(\C=C\C#N)=C1,,1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate,DB08120
5579,5579,5579,Not Available,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=C(O)C=CC=N1,,"(2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID",DB14541
5580,5580,5580,"Eldecalcitol (ED-71), a vitamin D analog, is a more potent inhibitor of bone resorption than alfacalcidol in an estrogen-deficient rat model of osteoporosis. Eldecalcitol, effectively and safely increased lumbar and hip bone mineral density (BMD) in osteoporotic patients who also received vitamin D3 supplementation.",[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O,,Naveglitazar,DB08604
5581,5581,5581,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,Ferric pyrophosphate,DB04130
5582,5582,5582,"A synthetic progestational hormone with actions and uses similar to those of PROGESTERONE. It has been used in the treatment of functional uterine bleeding and endometriosis. As a contraceptive, it has usually been administered in combination with MESTRANOL.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3,,"2,8-bis[oxido(oxo)vanadio]-1,1,1,3,5,5,7,7,9,9,9-undecaoxopentavanadoxane-2,8-diium",DB00812
5583,5583,5583,Velaglucerase alfa is an enzyme replacement therapy used for the long-term treatment of for pediatric and adult patients with type 1 Gaucher disease.,,ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ,Darifenacin,DB07125
5584,5584,5584,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide",DB00967
5585,5585,5585,Ursodeoxycholic acid is a bile acid used for the treatment of primary biliary cirrhosis (PBC).,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,,Isoferulic acid,DB02252
5586,5586,5586,"Bromocriptine is a dopamine D2 receptor agonist used for the treatment of galactorrhea due to hyperprolactinemia and other prolactin-related conditions, as well as in early Parkinsonian Syndrome.",[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]21O)C(C)C,,Gavestinel,DB02600
5587,5587,5587,Not Available,[H]N1C(=O)N(C=C(C)C1=O)[C@H]1C[C@H](O)[C@@H](COP(O)(S)=S)O1,,"4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide",DB02367
5588,5588,5588,Not Available,NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1,,"Methyl [(1E,5R)-5-{3-[(2E,4E)-2,5-dimethyl-2,4-octadienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate",DB08420
5589,5589,5589,Not Available,OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C1=CC=CC(=C1)C#N)NC1CCC1,,"9-(4-Hydroxyphenyl)-2,7-Phenanthroline",DB08264
5590,5590,5590,Not Available,N[C@@H](CC1=CN(OO)C2=CC=CC=C12)C(O)=O,,"Synthetic Conjugated Estrogens, B",DB06822
5591,5591,5591,Not Available,[H][C@]1(CCCN1C(=O)C(=O)C(C)(C)CC)C(=O)OCCCC1=CN=CC=C1,,"L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide",DB08111
5592,5592,5592,Not Available,O=COCC1=CC=CC=C1,,Aluminium,DB15650
5593,5593,5593,Not Available,OC1=C(Br)C=C(\C=N\NC(=O)C2=CN=CC=C2)C(O)=C1Br,,Golimumab,DB07245
5594,5594,5594,Abciximab is a monoclonal anti-glycoprotein IIb/IIIa receptor antibody used to prevent thrombosis during percutaneous coronary intervention.,,EVQLQQSGTVLARPGASVKMSCEASGYTFTNYWMHWVKQRPGQGLEWIGAIYPGNSDTSYIQKFKGKAKLTAVTSTTSVYMELSSLTNEDSAVYYCTLYDGYYVFAYWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH,Ranirestat,DB04453
5595,5595,5595,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(=O)C(=O)CC(=O)NCCC1=NC=CC=C1)C(=O)N(C)C,,Mosunetuzumab,DB03714
5596,5596,5596,Not Available,CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O,,N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide,DB02829
5597,5597,5597,Not Available,[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CN1C=CN=C1,,Chlortetracycline,DB07274
5598,5598,5598,Not Available,CN1C2=C(N(CC3=CC=CC=C3)C(=N2)N2CC[NH2+]CC2)C(=O)N(C)C1=O,,"(8R,9Z,12Z)-8-hydroxy-6-oxooctadeca-9,12-dienoic acid",DB08439
5599,5599,5599,Not Available,CSC1=CC=CC(NC2=NC=C3C=C(C(=O)N(C)C3=N2)C2=C(Cl)C=CC=C2Cl)=C1,,Chloropyramine,DB01116
5600,5600,5600,Not Available,CC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O,,Quinidine barbiturate,DB03910
5601,5601,5601,Antihemophilic factor human is a Factor VIII replacement therapy used to treat hemophilia A.,,MQIELSTCFFLCLLRFCFSATRRYYLGAVELSWDYMQSDLGELPVDARFPPRVPKSFPFNTSVVYKKTLFVEFTVHLFNIAKPRPPWMGLLGPTIQAEVYDTVVITLKNMASHPVSLHAVGVSYWKASEGAEYDDQTSQREKEDDKVFPGGSHTYVWQVLKENGPMASDPLCLTYSYLSHVDLVKDLNSGLIGALLVCREGSLAKEKTQTLHKFILLFAVFDEGKSWHSETKNSLMQDRDAASARAWPKMHTVNGYVNRSLPGLIGCHRKSVYWHVIGMGTTPEVHSIFLEGHTFLVRNHRQASLEISPITFLTAQTLLMDLGQFLLFCHISSHQHDGMEAYVKVDSCPEEPQLRMKNNEEAEDYDDDLTDSEMDVVRFDDDNSPSFIQIRSVAKKHPKTWVHYIAAEEEDWDYAPLVLAPDDRSYKSQYLNNGPQRIGRKYKKVRFMAYTDETFKTREAIQHESGILGPLLYGEVGDTLLIIFKNQASRPYNIYPHGITDVRPLYSRRLPKGVKHLKDFPILPGEIFKYKWTVTVEDGPTKSDPRCLTRYYSSFVNMERDLASGLIGPLLICYKESVDQRGNQIMSDKRNVILFSVFDENRSWYLTENIQRFLPNPAGVQLEDPEFQASNIMHSINGYVFDSLQLSVCLHEVAYWYILSIGAQTDFLSVFFSGYTFKHKMVYEDTLTLFPFSGETVFMSMENPGLWILGCHNSDFRNRGMTALLKVSSCDKNTGDYYEDSYEDISAYLLSKNNAIEPRSFSQNSRHPSTRQKQFNATTIPENDIEKTDPWFAHRTPMPKIQNVSSSDLLMLLRQSPTPHGLSLSDLQEAKYETFSDDPSPGAIDSNNSLSEMTHFRPQLHHSGDMVFTPESGLQLRLNEKLGTTAATELKKLDFKVSSTSNNLISTIPSDNLAAGTDNTSSLGPPSMPVHYDSQLDTTLFGKKSSPLTESGGPLSLSEENNDSKLLESGLMNSQESSWGKNVSSTESGRLFKGKRAHGPALLTKDNALFKVSISLLKTNKTSNNSATNRKTHIDGPSLLIENSPSVWQNILESDTEFKKVTPLIHDRMLMDKNATALRLNHMSNKTTSSKNMEMVQQKKEGPIPPDAQNPDMSFFKMLFLPESARWIQRTHGKNSLNSGQGPSPKQLVSLGPEKSVEGQNFLSEKNKVVVGKGEFTKDVGLKEMVFPSSRNLFLTNLDNLHENNTHNQEKKIQEEIEKKETLIQENVVLPQIHTVTGTKNFMKNLFLLSTRQNVEGSYEGAYAPVLQDFRSLNDSTNRTKKHTAHFSKKGEEENLEGLGNQTKQIVEKYACTTRISPNTSQQNFVTQRSKRALKQFRLPLEETELEKRIIVDDTDTQWSKNMKHLTPSTLTQIDYNEKEKGAITQSPLSDCLTRSHSIPQANRSPLPIAKVSSFPSIRPIYLTRVLFQDNSSHLPAASYRKKDSGVQESSHFLQGAKKNNLSLAILTLEMTGDQREVGSLGTSATNSVTYKKVENTVLPKPDLPKTSGKVELLPKVHIYQKDLFPTETSNGSPGHLDLVEGSLLQGTEGAIKWNEANRPGKVPFLRVATESSAKTPSKLLDPLAWDNHYGTQIPKEEWKSQEKSPEKTAFKKKDTILSLNACESNHAIAAINEGQNKPEIEVTWAKQGRTERLCSQNPPVLKRHQREITRTTLQSDQEEIDYDDTISVEMKKEDFDIYDEDENQSPRSFQKKTRHYFIAAVERLWDYGMSSSPHVLRNRAQSGSVPQFKKVVFQEFTDGSFTQPLYRGELNEHLGLLGPYIRAEVEDNIMVTFRNQASRPYSFYSSLISYEEDQRQGAEPRKNFVKPNETKTYFWKVQHHMAPTKDEFDCKAWAYFSDVDLEKDVHSGLIGPLLVCHTNTLNPAHGRQVTVQEFALFFTIFDETKSWYFTENMERNCRAPCNIQMEDPTFKENYRFHAINGYIMDTLPGLVMAQDQRIRWYLLSMGSNENIHSIHFSGHVFTVRKKEEYKMALYNLYPGVFETVEMLPSKAGIWRVECLIGEHLHAGMSTLFLVYSNKCQTPLGMASGHIRDFQITASGQYGQWAPKLARLHYSGSINAWSTKEPFSWIKVDLLAPMIIHGIKTQGARQKFSSLYISQFIIMYSLDGKKWQTYRGNSTGTLMVFFGNVDSSGIKHNIFNPPIIARYIRLHPTHYSIRSTLRMELMGCDLNSCSMPLGMESKAISDAQITASSYFTNMFATWSPSKARLHLQGRSNAWRPQVNNPKEWLQVDFQKTMKVTGVTTQGVKSLLTSMYVKEFLISSSQDGHQWTLFFQNGKVKVFQGNQDSFTPVVNSLDPPLLTRYLRIHPQSWVHQIALRMEVLGCEAQDLY,Atovaquone,DB03803
5602,5602,5602,Not Available,[H][C@]12CC[C@]([H])(O1)N1C3=C(C=CC=C3)C3=C4C(=O)NC(=O)C4=C4C5=C(C=CC=C5)N2C4=C13,,"5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE",DB04715
5603,5603,5603,Estradiol dienanthate is an estrogen used in some combined hormonal oral contraceptives.,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCCCCC)=CC=C4[C@H]3CC[C@]12C,,Terbutryn,DB05460
5604,5604,5604,"A vasodilator with general properties similar to nitroglycerin. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1020)",[O-][N+](=O)OC[C@@H](O[N+]([O-])=O)[C@H](CO[N+]([O-])=O)O[N+]([O-])=O,,"2,5-dibenzyloxy-3-hydroxy-hexanedioic acid bis-[(2-hydroxy-indan-1-yl)-amide]",DB03124
5605,5605,5605,Not Available,CC(C)(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=CC(O)=C1,,4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID,DB01587
5606,5606,5606,Epinastine is an H1 receptor antagonist used to prevent itching in allergic conjunctivitis.,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21,,Digoxin,DB06198
5607,5607,5607,Omega-3 fatty acids is an ingredient found in a variety of supplements and vitamins.,,,"3-(5-Amino-7-oxo-3,7-dihydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(2-{[2-(hydroxymethyl)phenyl]sulfanyl}benzyl)benzamide",DB02459
5608,5608,5608,Not Available,CCS\C(N)=N\C1=CC=CC=C1,,Cenicriviroc,DB01024
5609,5609,5609,"Tetraethylammonium is an experimental drug with no approved indication or marketed formulation. The only marketed drug containing tetraethylammonium was a combination drug called Fosglutamina B6, but this drug has now been discontinued. As an experimental agent, tetraethylammonium is used in its salt forms such as tetraethylammonium chloride and tetraethylammonium bromide. Its mechanism of action is still being investigated, but it is known that tetraethylammonium blocks autonomic ganglia, calcium- and voltage- activated potassium channels, and nicotinic acetylcholine receptors. Because of its inhibitory actions at the autonomic ganglia, tetraethylammonium was thought to be a potential therapeutic vasodilator but serious toxic effects were found. The most common use of tetraethylammonium presently is as a pharmacological research agent that blocks selective potassium channels. Structurally, tetraethylammonium is positively charged due to its central quaternary ammonium.",CC[N+](CC)(CC)CC,,Urelumab,DB03229
5610,5610,5610,Not Available,CC1=NC=C(COP(O)(O)=O)C(C\N=C2/CONC2=O)=C1O,,"(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE",DB13083
5611,5611,5611,Iron is an essential element commonly used for the treatment of patients with documented iron deficiency.,[Fe],,Pegfilgrastim,DB07997
5612,5612,5612,Not Available,[H][C@@]1(NC(=S)N(C)C(C)=C1C(=O)C1=CC=CC=C1)C1=CC(O)=CC=C1,,"2,4-Dihydroxy-Trans Cinnamic Acid",DB01121
5613,5613,5613,Not Available,CCOC(=O)C1=CN=C(N)N=C1O,,Erythromycin,DB06350
5614,5614,5614,"Carprofen is a non-steroidal anti-inflammatory drug (NSAID) that is used by veterinarians as a supportive treatment for the relief of arthritic symptoms in geriatric dogs. Carprofen was previously used in human medicine for over 10 years (1985-1995). It was generally well tolerated, with the majority of adverse effects being mild, such as gastro-intestinal pain and nausea, similar to those recorded with aspirin and other non-steroidal anti-inflammatory drugs. It is no longer marketed for human usage, after being withdrawn on commercial grounds.",CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1,,INHIBITOR Q8467 OF DUPONT MERCK,DB04967
5615,5615,5615,CLX-0921 is investigated for use/treatment in diabetes mellitus type 2. CLX-0921 is a solid. CLX-0921 has a spectrum of activity that differs from commercially available thiazolidinediones. This substance targets the protein peroxisome proliferator-activated receptor gamma. It is a pharmacologically active antihyperglycemic agent that acts by increasing peripheral tissue sensitivity to insulin.,,,4-(2-METHOXYPHENYL)-2-OXOBUT-3-ENOIC ACID,DB00899
5616,5616,5616,Not Available,NC1=C2N=CN([C@@H]3O[C@H](CO[P@@](O)(=O)OCCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[C@H]3O)C2=NC=N1,,Ergoloid mesylate,DB00336
5617,5617,5617,Not Available,CC1=C(CCCO)NC(=O)NC1=O,,Omburtamab,DB02496
5618,5618,5618,Methoxy polyethylene glycol-epoetin beta is a synthetic erythropoiesis stimulating agent (ESA) used to treat anemia associated with chronic kidney disease.,,,Phosphonothreonine,DB07405
5619,5619,5619,Not Available,[H][C@@]1(COC(=O)CC2=CC(Cl)=CC=C2)CCCN1C(=O)CNC(=O)OC(C)(C)C,,Acamprosate,DB00923
5620,5620,5620,Not Available,BrC1=C2NCCCNS(=O)(=O)C3=CC=CC(NC(N=C1)=N2)=C3,,Nogalaviketone,DB15688
5621,5621,5621,Not Available,CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1,,"(2E,4E)-2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid",DB03121
5622,5622,5622,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](CP(O)(O)=O)O[C@@H]12,,6-hydroxydopa quinone,DB01000
5623,5623,5623,Not Available,CN(CC(O)=O)C(N)N,,Keyhole limpet hemocyanin,DB05482
5624,5624,5624,Not Available,COC1=CC=C(C=C1)S([O-])=O,,Promethazine,DB06474
5625,5625,5625,Interferon beta-1a is a form of recombinant human interferon used to slow disease progression and reduce the frequency of clinical symptoms in patients who have relapsing multiple sclerosis.,,MSYNLLGFLQRSSNFQCQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEMLQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHLKRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLRN,(2S)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine,DB00207
5626,5626,5626,Not Available,CN(C)C1=C2C=CC(=CC2=CC=C1)S(O)(=O)=O,,2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE,DB08136
5627,5627,5627,Not Available,[H][C@]1(O)C(NO)=N[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O,,6-amino-1-methyl-7H-purin-1-ium,DB00392
5628,5628,5628,"Atrazine is a selective triazine herbicide. Inhalation hazard is low and there are no apparent skin manifestations or other toxicity in humans. Acutely poisoned sheep and cattle may show muscular spasms, fasciculations, stiff gait, increased respiratory rates, adrenal degeneration, and congestion of the lungs, liver, and kidneys. (From The Merck Index, 11th ed)",CCNC1=NC(NC(C)C)=NC(Cl)=N1,,Dostarlimab,DB13948
5629,5629,5629,Not Available,[H][C@](CN)(CO)C(O)=O,,3'-beta-Sialyl-beta-lactose,DB00818
5630,5630,5630,"R411 is a non-steroid oral medicine for the treatment of asthma. It is not immunosuppressive, but blocks the activation and recruitment of cells involved in respiratory inflammation. It is a dual-acting competitive integrin antagonist (as compared to previously developed single integrin antagonists or SIAs) that prevents binding of V-CAM1 to either a4b1 or a4b7.",,,"(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE",DB03292
5631,5631,5631,"Gosogliptin has been used in trials studying the treatment of Renal Insufficiency, Chronic.",[H][C@]1(CN[C@@]([H])(C1)C(=O)N1CCC(F)(F)C1)N1CCN(CC1)C1=NC=CC=N1,,Filgrastim,DB15031
5632,5632,5632,Etrolizumab is a humanized IgG1κ anti-β7 integrin subunit monoclonal antibody under investigation for use in ulcerative colitis and Crohn's disease.,,,"2-(2-{2-[2-(2-{2-[2-(2-Ethoxy-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethoxy]-Ethoxy}-Ethoxy)-Ethanol, Polyethyleneglycol Peg400",DB06929
5633,5633,5633,Zotiraciclib is under investigation in clinical trial NCT02942264 (Zotiraciclib (TG02) Plus Dose-dense or Metronomic Temozolomide Followed by Randomized Phase II Trial of Zotiraciclib (TG02) Plus Temozolomide Versus Temozolomide Alone in Adults With Recurrent Anaplastic Astrocytoma and Glioblastoma).,CN1C\C=C\CCOC2=CC(=CC=C2)C2=CC=NC(NC3=CC=CC(C1)=C3)=N2,,Teduglutide,DB05233
5634,5634,5634,Not Available,OC[C@H]1O[C@H]([C@@H]2O[C@H](CP(O)(O)=O)O[C@H]12)C1=CNC2=C1NC=NC2=O,,6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER,DB01440
5635,5635,5635,"Bimekizumab is an anti-IL-17A, IL-17F, and IL-17AF monoclonal antibody used in the treatment plaque psoriasis.",,EVQLVESGGGLVQPGGSLRLSCAASGFTFSDYNMAWVRQAPGKGLEWVATITYEGRNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCASPPQYYEGSIYRLWFAHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Prolgolimab,DB07048
5636,5636,5636,Not Available,O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,,Idecabtagene vicleucel,DB04346
5637,5637,5637,Doxazosin is an alpha-1 adrenergic receptor used to treat mild to moderate hypertension and urinary obstruction due to benign prostatic hyperplasia.,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1,,"(2R)-2-[(1R)-1-[[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid",DB05364
5638,5638,5638,Not Available,[H][C@]12O[C@]([H])(C(C(=O)OC)=C1C(=O)OC)C(=C2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,,Bazedoxifene,DB06825
5639,5639,5639,"3'-phospho-5'-adenylyl sulfate is a key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.",NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,,Ethyl pyruvate,DB04494
5640,5640,5640,Margetuximab is an Fc-engineered human/mouse chimeric IgG1κ anti-HER2 monoclonal antibody indicated for patients with HER2-positive metastatic breast cancer.,,,"6-Amino-4-Hydroxymethyl-Cyclohex-4-Ene-1,2,3-Triol",DB07332
5641,5641,5641,Otamixaban is a novel direct Factor Xa (FXa) inhibitor. It is currently being developed by the French pharmaceutical company Sanofi-Aventis as a treatment for acute coronary syndrome.,COC(=O)[C@H](CC1=CC(=CC=C1)C(N)=N)[C@@H](C)NC(=O)C1=CC=C(C=C1)C1=CC=[N+]([O-])C=C1,,7-Methylguanosine,DB01165
5642,5642,5642,"Capsaicin is a topical analgesic agent used for the symptomatic relief of neuropathic pain associated with post-herpetic neuralgia, as well as other muscle and joint pain.",COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1,,Annamycin,DB01207
5643,5643,5643,A tricyclo bridged hydrocarbon. [PubChem],C1C2CC3CC1CC(C2)C3,,Betahistine,DB01590
5644,5644,5644,Not Available,CCOC(=O)C(=O)N1CCCCC1,,Cefotaxime,DB07668
5645,5645,5645,Mafenide is an antimicrobial topical agent indicated for use as an adjunctive treatment to control bacterial infection when used under moist dressings over meshed autografts on excised burn wounds.,NCC1=CC=C(C=C1)S(N)(=O)=O,,Diisopropyl methylphosphonate,DB06795
5646,5646,5646,"Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.",CCC(CC)(CC(=O)NC1=CC(\C=C\C2=NC(=CS2)C2CCC2)=CC=C1)C(O)=O,,Enfuvirtide,DB08245
5647,5647,5647,Not Available,,,3-phenylpropionic acid,DB08349
5648,5648,5648,Not Available,[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1,,Semaxanib,DB02001
5649,5649,5649,"MLN-977 is a small molecule compound that inhibits the production of leukotrienes, especially 5-lipoxygenase. It is developed by PharmaEngine to treat asthma and chronic obstructive pulmonary disease.",NC(=O)N(O)CCC#C[C@@H]1CC[C@@H](COC2=CC=C(F)C=C2)O1,,"2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid",DB14083
5650,5650,5650,"LAX-101 treats hungtington’s disease, not just the symptoms but the disease itself. The active molecule in LAX-101 is Eicosapentaenoic Acid (EPA). All molecules of EPA are identical. The molecules of EPA found in LAX-101 are identical to the molecules of EPA found in fish oil food supplements.",,,Vitamin B 12 factor IIIm,DB13997
5651,5651,5651,Not Available,N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C([O-])=O,,7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN,DB02042
5652,5652,5652,Fluphenazine is a phenothiazine used to treat patients requiring long-term neuroleptic therapy.,OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1,,"(1S)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",DB07942
5653,5653,5653,"Posizolid (AZD2563) is an oxazolidinone antibiotic. In July 2002, after completion of phase I trials in December 2001, AstraZeneca announced that they were no longer pursuing the development of Posizolid, presumably due to negative trial results (though no results were reported).",OC[C@H](O)C(=O)N1CCC(=CC1)C1=C(F)C=C(C=C1F)N1C[C@H](COC2=NOC=C2)OC1=O,,"5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE",DB03731
5654,5654,5654,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@H]2O[C@@H](O[C@@H]12)P(O)(O)=O,,"[(2R)-1-[(2S)-2-[[(2S,3S)-1-Chloro-6-(diaminomethylideneamino)-2-hydroxyhexan-3-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]azanium",DB01737
5655,5655,5655,Lomefloxacin is a fluoroquinolone used to prevent and treat a wide variety of infections in the body.,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12,,Thiamine(1+) monophosphate,DB00638
5656,5656,5656,Not Available,CN(CC#C)[C@@H]1CCC2=C1C=CC=C2,,"Adenosine 3',5'-diphosphate",DB03916
5657,5657,5657,Not Available,[H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12,,Cystein-S-Yl Cacodylate,DB00428
5658,5658,5658,Buspirone is an anxiolytic agent used for short-term treatment of generalized anxiety and second-line treatment of depression.,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1,,3-(BUTYLSULPHONYL)-PROPANOIC ACID,DB05142
5659,5659,5659,Not Available,OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F,,Nirogacestat,DB12789
5660,5660,5660,"Carbachol is a direct acting miotic agent administered ophthalmically to decrease intraocular pressure after cataract surgery, and to induce miosis during surgery.",C[N+](C)(C)CCOC(N)=O,,Oxalic Acid,DB01608
5661,5661,5661,Not Available,NC(=N)C1=CC=C(NC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C1,,Cephaloglycin,DB08325
5662,5662,5662,Not Available,COC1=CC(NC2=NC=CC(NC3=CC=C4C(C)=NNC4=C3)=N2)=CC(OC)=C1OC,,(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE,DB00340
5663,5663,5663,Thyrotropin alfa is a recombinant form of thyroid stimulating hormone used in diagnostic testing for thyroid cancer and alongside radioactive agents to destroy thyroid tissue.,,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,Custirsen,DB07670
5664,5664,5664,Triptorelin is a GnRH agonist indicated for the palliative treatment of advanced prostate cancer.,CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,,"3,5-Diaminophthalhydrazide",DB00422
5665,5665,5665,Desmethylsertraline is a metabolite of sertraline.,[H][C@]1(N)CC[C@@]([H])(C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12,,2-chloro-5-nitro-N-phenylbenzamide,DB04087
5666,5666,5666,Not Available,CCCCCCCCCCCCCCCCS(O)(=O)=O,,Desoxycorticosterone pivalate,DB08646
5667,5667,5667,Butylscopolamine is an antispasmodic and anticholinergic agent used for the symptomatic treatment of abdominal cramping and pain.,CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,,Cefiderocol,DB06477
5668,5668,5668,OPC-14523 is an antidepressant drug developed by Otsuka America Pharmaceutical.,COC1=CC=CC2=C1CCC(=O)N2CCCN1CCN(CC1)C1=CC=CC(Cl)=C1,,"2-amino-3-[4-hydroxy-6-oxo-3-(2-phenyl-cyclopropylimino)-cyclohexa-1,4-dienyl]-propionic acid",DB08744
5669,5669,5669,Not Available,CCCCCCCCCCC[N+](C)(C)[O-],,Remikiren,DB15442
5670,5670,5670,Not Available,CC1=CC(=CC(C)=C1OCCN)C(=O)NC1=CC(Cl)=CC(=C1)N1CCCCC1,,2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE,DB03373
5671,5671,5671,Not Available,N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,,2-deoxy-2-fluoro-β-D-mannose,DB00677
5672,5672,5672,Not Available,CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1,,"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid",DB05036
5673,5673,5673,Not Available,CCC[C@H]1COC2=C(SC=C2)C(N)=N1,,5'-deoxy-5'-piperidin-1-ylthymidine,DB07016
5674,5674,5674,"N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide is a solid. This compound belongs to the penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1]. This drug is known to target penicillin G acylase.",[H][C@@]1(NC(=O)CC2=CC=CC=C2)C(=O)[N@]2[C@]1([H])[S@@]([H])(O)C(C)(C)[C@]2([H])C(O)=O,,"(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL",DB06216
5675,5675,5675,GEM231 is a second-generation antisense oligonucleotide targeting the mRNA of the R1alpha regulatory subunit of cAMP dependent protein kinase. A monoclonal antibody combined with a toxic substance that is used treat certain types of acute myeloid leukemia in older patients and is being studied in the treatment of other types of cancer. Monoclonal antibodies are made in the laboratory and can locate and bind to cancer cells.,,,D-1-naphthyl-2-acetamido-ethane boronic acid,DB08727
5676,5676,5676,"Ansuvimab is a fully human monoclonal IgG1 antibody directed against the GP1,2 surface protein of Zaire ebolavirus that is an effective treatment for Ebola virus disease.",,,Brompheniramine,DB08472
5677,5677,5677,Betaxolol is a cardioselective beta blocking agent commonly used to treat hypertension and elevated intraocular pressure (when administered ophthalmically).,CC(C)NCC(O)COC1=CC=C(CCOCC2CC2)C=C1,,Verpasep caltespen,DB04086
5678,5678,5678,Not Available,OC1=C(O)C=C(C=C1)C1=CC=CC=C1,,(2R)-2-benzyl-3-nitropropanoic acid,DB03953
5679,5679,5679,Levacetylmethadol is a narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence.,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,,"1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE",DB12129
5680,5680,5680,A narcotic antagonist similar in action to naloxone. It is used to remobilize animals after etorphine neuroleptanalgesia and is considered a specific antagonist to etorphine. [PubChem],[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CC3)[C@]([H])(C4)[C@]11CC[C@@]2(OC)[C@H](C1)C(C)(C)O,,Soneclosan,DB00637
5681,5681,5681,"Cefoperazone is a broad-spectrum cephalosporin antibiotic used for the treatment of bacterial infections in various locations, including the respiratory tract, abdomen, skin, and female genital tracts.",[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=C(O)C=C1)C(O)=O,,Framycetin,DB06521
5682,5682,5682,CPG 10101 is a synthetic oligodeoxynucleotide (ODN) in clinical trials. It is a toll-like receptor 9 (TLR9) agonist with antiviral and immunomodulatory properties that could potentially influence chronic infection with HCV.,,,beta-L-fucose,DB05483
5683,5683,5683,Lactulose is a disaccharide derivative of lactose used to treat constipation and portal systemic encephalopathy.,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,,Quinacrine mustard,DB03459
5684,5684,5684,"Egaptivon pegol, formerly known as ARC1779, is a therapeutic aptamer antagonist of the A1 domain of von Willebrand Factor (vWF), the ligand for receptor glycoprotein 1b on platelets. Egaptivon pegol is being investigated for the treatment of thrombotic thrombocytopenic purpura and acute coronary syndromes.1,2 Egaptivon pegol is a therapeutic oligonucleotide (""aptamer"") which blocks the binding of the A1 domain of vWF to the platelet GPIb receptor, thereby modulating platelet adhesion, activation, and aggregation under the high shear conditions of coronary arterial stenosis and plaque rupture.1",,,"(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID",DB05996
5685,5685,5685,SR 140333 is tachykinin antagonist which has potential to treat diarrhoea due to food allergy or inflammatory bowel disease.,[Cl-].CC(C)OC1=CC=CC(CC(=O)N2CCC[C@](CC[N+]34CCC(CC3)(CC4)C3=CC=CC=C3)(C2)C2=CC(Cl)=C(Cl)C=C2)=C1,,1-Aminocyclopropanecarboxylic Acid,DB04361
5686,5686,5686,"Pyroxamide has been used in trials studying the treatment of Leukemia, Lymphoma, Small Intestine Cancer, Precancerous Condition, and Myelodysplastic Syndromes, among others.",ONC(=O)CCCCCCC(=O)NC1=CN=CC=C1,,"(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine",DB08720
5687,5687,5687,"Aminophylline is a bronchodilator consisting of theophylline that is used for the treatment of bronchospasm due to asthma, emphysema and chronic bronchitis.",NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN1C2=C(NC=N2)C(=O)N(C)C1=O,,"(1'R,2'S)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-yl)Adenine",DB04398
5688,5688,5688,"YSIL6 is a small-molecule drug in development for the treatment of inflammatory diseases, including rheumatoid arthritis and psoriasis. The molecule works by inhibiting TNF-alpha and IL-6 production in T-cells and macrophages, and by inhibiting T-cell proliferation and migration.",,,Umeclidinium,DB03654
5689,5689,5689,"Celecoxib is an NSAID used to treat osteoarthritis, rheumatoid arthritis, acute pain, menstrual symptoms, and to reduce polyps is familial adenomatous polyposis.",CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F,,Latanoprostene bunod,DB01139
5690,5690,5690,Vitamin K1 is a fat soluble vitamin used to treat hemorrhagic conditions in infants and coumarin overdoses.,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O,,Flurbiprofen,DB02363
5691,5691,5691,Not Available,OP(O)(=O)OCCNS(=O)(=O)C1=CC=C(OC(F)(F)F)C=C1,,Dihydroxyacetone phosphate,DB13952
5692,5692,5692,Not Available,[H][C@]12CS[C@@]([H])(CCCC(O)=O)[C@@]1([H])NC(=O)N2,,Indigo,DB04528
5693,5693,5693,Not Available,[H]N(C1=CC(=CC=C1)[N+]([O-])=O)S(=O)(=O)C1=C(SC=C1)C(O)=O,,Amdoxovir,DB05476
5694,5694,5694,Voxilaprevir is a nonstructural protein 3 and 4a protease inhibitor used to treat Hepatitis C infections.,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)C(=O)[C@@H](NC(=O)O[C@@H]1C[C@H]1CCCCC(F)(F)C1=C(O2)N=C2C=C(OC)C=CC2=N1)C(C)(C)C,,2-Methoxyestradiol,DB03222
5695,5695,5695,Not Available,CN(CCCCCCOC1=CC2=C(C=C1)C(=NN2C)C1=CC=C(Br)C=C1)CC=C,,Zuranolone,DB03154
5696,5696,5696,Not Available,OC(=O)COC1=CC=C(C=C1)C1=CNC(CNC(=O)NC2=NC=C(SC3=NC=CC=C3)S2)=N1,,LY2181308,DB00135
5697,5697,5697,Not Available,CCOC1=C(F)C(CCNC(=S)NC2=NC=C(C=C2)C#N)=NC=C1,,4-TERT-BUTYLBENZENESULFONIC ACID,DB03628
5698,5698,5698,Tideglusib is under the investigation for the development of treatments for Alzheimer's disease and for progressive supranuclear palsy. It is reported to be a potent anti-inflammatory and neuroprotective that is a non-ATP competitive inhibitor of glycogen synthase kinase 3 (GSK-3).1 Tideglusib is being developed by the Spanish pharmaceutic company Zeltia group and its current status is withdrawn for the treatment of Alzheimer's disease as of 2012.,O=C1SN(C(=O)N1CC1=CC=CC=C1)C1=C2C=CC=CC2=CC=C1,,"3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one",DB08262
5699,5699,5699,Not Available,COC(=O)C(CC1=CC=CC=C1)(CC1=CC=C(NS(O)(=O)=O)C=C1)C(=O)OC,,Dovitinib,DB01819
5700,5700,5700,Not Available,[H][C@@]12CC[C@@](O)(CC)[C@@]1(CC)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H],,N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE,DB11124
5701,5701,5701,Not Available,[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C)C=C1)C(=O)N[C@]([H])(CC(C)C)C(=O)OC,,Pheniramine,DB05147
5702,5702,5702,"Arylacenamide (SR31747) is a peripheral [sigma] ligand that binds four proteins in human cells, i.e. SRBP-1, [sigma]-2, HSI and its relative SRBP-2. It is a dual agent with both immunomodulatory and antiproliferative activities.",Cl.CCN(C\C=C/C1=CC(Cl)=C(C=C1)C1CCCCC1)C1CCCCC1,,Belantamab mafodotin,DB03666
5703,5703,5703,"Pagoclone is an anxiolytic drug from the cyclopyrrolone family, which is related to other more well known drugs such as the sleeping medication zopiclone. It is one of a relatively recently developed class of medicines known as the nonbenzodiazepines, which have similar effects to the older benzodiazepine group, but with quite different chemical structures.",CC(C)CCC(=O)CC1N(C(=O)C2=CC=CC=C12)C1=NC2=C(C=CC(Cl)=N2)C=C1,,Methsuximide,DB13944
5704,5704,5704,Not Available,CCOC[C@H]1[C@H]2CC[C@@H](C[C@@H]1C1=CC(Cl)=C(Cl)C=C1)N2C,,Tepotinib,DB00612
5705,5705,5705,Not Available,[H][C@@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(C)=O)C(N)=O,,"5-[(Z)-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide",DB05578
5706,5706,5706,Reversin 121 is a hydrophobic peptide chemosensitizer that can reverse P-glycoprotein-mediated multidrug resistance.,CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C,,Cabotegravir,DB03052
5707,5707,5707,Relatlimab is a monoclonal antibody targeted against LAG-3 which is used in combination with nivolumab for the treatment of unresectable or metastatic melanoma.,,QVQLQQWGAGLLKPSETLSLTCAVYGGSFSDYYWNWIRQPPGKGLEWIGEINHRGSTNSNPSLKSRVTLSLDTSKNQFSLKLRSVTAADTAVYYCAFGYSDYEYNWFDPWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,"2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE",DB02195
5708,5708,5708,Not Available,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(F)C=C1F,,Equilenin,DB02107
5709,5709,5709,"Phenylbutyric acid is an agent indicated for the adjunctive therapy for the management of chronic urea cycle disorders due to deficiencies in specific enzymes, including the neonatal-onset deficiency and late-onset disease with a history of hyperammonemic encephalopathy.",OC(=O)CCCC1=CC=CC=C1,,Nisoldipine,DB03408
5710,5710,5710,"Caprylic acid is an eight-carbon chain fatty acid, also known systematically as octanoic acid. It is found naturally in coconuts and breast milk. It is an oily liquid with a slightly unpleasant rancid-like smell that is minimally soluble in water.",CCCCCCCC(O)=O,,Thiocolchicoside,DB08157
5711,5711,5711,Not Available,[H][C@]1(C)CN(C[C@@]([H])(C)C1)C(=O)C1=CC(Br)=CC=C1N,,Purvalanol,DB08090
5712,5712,5712,Not Available,FC1=CC=C(CC2CCNCC2)C=C1,,Rifamycin,DB00893
5713,5713,5713,Not Available,CN(C)C1=CC=C(NC2=NC(=CC=N2)C2=C(C)N=C(C)S2)C=C1,,Teriparatide,DB02155
5714,5714,5714,"SC-236 is a potent, selective, orally active inhibitor of cyclooxygenase-2 (COX-2) 12 that has been studied in cancer therapy 3, lower back pain 4, and inflammation 1, 2,11, 5.",NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Cl)C=C1)C(F)(F)F,,"4-Hydroxy-1,2,5-oxadiazole-3-carboxylic acid",DB09078
5715,5715,5715,XTL-6865 is a combination of two fully human monoclonal antibodies (Ab68 and Ab65) against the hepatitis C virus E2 envelope protein. It is being developed to prevent HCV re-infection following a liver transplant and for the treatment of chronic HCV disease.,,,Plerixafor,DB07643
5716,5716,5716,"MK-1775 has been used in trials studying the treatment of LYMPHOMA, Neoplasms, Ovarian Cancer, Tongue Carcinoma, and Adult Glioblastoma, among others.",CN1CCN(CC1)C1=CC=C(NC2=NC=C3C(=O)N(CC=C)N(C3=N2)C2=NC(=CC=C2)C(C)(C)O)C=C1,,2-Thiomethyl-3-Phenylpropanoic Acid,DB07044
5717,5717,5717,Not Available,NC1=NC(=O)C2=C(N1)N=C(I)N2,,Lomefloxacin,DB07416
5718,5718,5718,Not Available,CC(=O)NC1=CC=CC(=C1)N1CCN(CCCCNS(=O)(=O)CC2CCCCC2)CC1,,Dihydroergotamine,DB13946
5719,5719,5719,Not Available,CN(C)C1=C2C=CC=C(C2=CC=C1)S(N)(=O)=O,,"N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE",DB01496
5720,5720,5720,Droperidol is a butyrophenone derivative and dopamine antagonist used to prevent and treat postoperative nausea and vomiting.,FC1=CC=C(C=C1)C(=O)CCCN1CCC(=CC1)N1C(=O)NC2=CC=CC=C12,,Nefazodone,DB03813
5721,5721,5721,A broad-spectrum 6-fluoronaphthyridinone antibacterial agent (fluoroquinolones) structurally related to nalidixic acid.,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,,Nicardipine,DB02794
5722,5722,5722,"Esmirtazapine, known by the standardized identifier SCH 900265, was under development by Organon to treat insomnia and vasomotor symptoms associated with menopause. Esmirtazapine is the (S)-(+)-enantiomer of mirtazapine and possesses similar overall pharmacology. This includes inverse agonist activity of H1 and 5-HT2 receptors and antagonism of α2-adrenergic receptors. Merck has terminated its internal clinical development program for esmirtazapine as of March 2010.",[H][C@]12CN(C)CCN1C1=C(CC3=CC=CC=C23)C=CC=N1,,"5-[4-Tert-Butylphenylsulfanyl]-2,4-Quinazolinediamine",DB06408
5723,5723,5723,Not Available,C[C@H](N1CC[C@H](NS(=O)(=O)C2=CC3=C(N2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,,Mometasone furoate,DB15982
5724,5724,5724,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(C=C1)N1C=C(C)C(=O)NC1=O,,Ecabet,DB04208
5725,5725,5725,Not Available,CC(C)C[C@](C)(N)C(O)=O,,2-{4-[4-(4-Chloro-Phenoxy)-Benzenesulfonyl]-Tetrahydro-Pyran-4-Yl}-N-Hydroxy-Acetamide,DB07149
5726,5726,5726,Not Available,CC1=CC(C)=C(N1)\C=C1/C(=O)NC2=CC=CC=C12,,"(1R)-2-[(Diaminomethylene)amino]-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl nicotinate",DB08586
5727,5727,5727,Not Available,OC(=O)C1=C2CCCCC2=CC=C1NS(=O)(=O)C1=CC=CC=C1,,Fluorouracil,DB03532
5728,5728,5728,Not Available,NCC1=CC=C(NC(=O)C2=CC=C3C=C(C=CC3=C2)C(N)=N)C=C1,,Dosulepin,DB04824
5729,5729,5729,Not Available,OC(=O)C(=O)C1=CC=CC=C1,,Bethanidine,DB07422
5730,5730,5730,"Hydroquinone is a topical brightening agent used for the treatment of skin disorders associated with hyperpigmentation including melasma, post-inflammatory hyperpigmentation, sunspots, and freckles.",OC1=CC=C(O)C=C1,,"1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)",DB07011
5731,5731,5731,"Tesmilifene is a novel potentiator of chemotherapy which, when added to doxorubicin, achieved an unexpected and very large survival advantage over doxorubicin alone in a randomized trial in advanced breast cancer.",CCN(CC)CCOC1=CC=C(CC2=CC=CC=C2)C=C1,,7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate,DB08787
5732,5732,5732,Not Available,[H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C,,Mecobalamin,DB04983
5733,5733,5733,Testosterone undecanoate is an androgen indicated for testosterone replacement therapy in adult males with primary hypogonadism and hypogonadotropic hypogonadism.,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,,Glycinamide Ribonucleotide,DB04264
5734,5734,5734,Not Available,CC(C)(OC1=CC=C(C=C1)C1CC1(Cl)Cl)C(O)=O,,"2,3-Dihydroxy-5-Oxo-Hexanedioate",DB00125
5735,5735,5735,Insulin detemir is a long-acting form of insulin used for glycemic control in type 1 and type 2 diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,Tesamorelin,DB00528
5736,5736,5736,Diphenidol is an antiemetic agent used for the prevention and symptomatic treatment of nausea and vomiting associated with various conditions as Meniere's disease and surgery of the middle and inner ear.,OC(CCCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1,,CRA_10433,DB08238
5737,5737,5737,"Anifrolumab is a monoclonal antibody that inhibits type 1 interferon receptors, indicated in the treatment of moderate to severe systemic lupus erythematosus.",,EVQLVQSGAEVKKPGESLKISCKGSGYIFTNYWIAWVRQMPGKGLESMGIIYPGDSDIRYSPSFQGQVTISADKSITTAYLQWSSLKASDTAMYYCARHDIEGFDYWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPASIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Galcanezumab,DB01062
5738,5738,5738,Kanamycin is an aminoglycoside antibiotic agent used in the treatment of various infections caused by susceptible bacteria.,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,,"(5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide",DB07823
5739,5739,5739,Not Available,[H][C@]1(CCCN1C(=O)CCC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Imlifidase,DB05737
5740,5740,5740,Not Available,[H][C@@](C)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,,"5'-FLUORO-2',5'-DIDEOXYADENOSINE",DB11942
5741,5741,5741,Not Available,ClC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1,,"3,4-Biphenyldiol",DB00145
5742,5742,5742,Not Available,N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O,,Eliglustat,DB04796
5743,5743,5743,Not Available,BrC1=C2N=C(C=C(NCC3=CC=NC=C3)N2N=C1)C1=CC=CC=C1,,(4-sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-yl-ethyl) ester,DB08271
5744,5744,5744,"Verpasep caltespen is a recombinant chimeric protein composed of the heat shock protein 65 (Hsp65) from Mycobacterium bovis, and the human papilloma viral (HPV) protein E7. Hsp65, similar to other members of its family of proteins, elicits a strong immune response and may be used to design vaccines against a number of different cancers. E7 protein is involved in carcinogenesis of anal and cervical tumors, and represents a tumor antigen that may be specifically targeted by lymphocytes. It is being developed by StressGen Biotechnologies Corp.",,MHGDTPTLHEYMLDLQPETTDLYCYEQLNDSSEEEDEIDGPAGQAEPDRAHYNIVTFCCKCDSTLRLCVQSTHVDIRTLEDLLMGTLGIVCPICSQKP,"3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril",DB03374
5745,5745,5745,Not Available,CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1,,AN-9,DB00964
5746,5746,5746,"Synephrine, also referred to as, p-synephrine, is naturally occurring alkaloid. It is present in approved drug products as neo-synephrine, its m-substituted analog. p-synephrine and m-synephrine are known for their longer acting adrenergic effects compared to norepinephrine.",CNCC(O)C1=CC=C(O)C=C1,,Benidipine,DB14185
5747,5747,5747,Not Available,OC(=O)CCCCN(CC1=CC=C(C=C1)[N+]([O-])=O)CP(O)(O)=O,,4-Carboxy-4-Aminobutanal,DB00030
5748,5748,5748,Not Available,[H][C@](C(=O)C1=CC2=CC=CC=C2C=C1)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,,"(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile",DB03449
5749,5749,5749,"Trastuzumab is a monoclonal anti-human epidermal growth factor receptor 2 protein antibody used to treat HER2-positive breast, gastroesophageal, and gastric cancers.",,DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,Danoprevir,DB14529
5750,5750,5750,Not Available,COC1=CC=CC(=C1)N1C(CN2CCOCC2)=CC2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O,,AVE9633,DB09262
5751,5751,5751,Not Available,OC(=O)C(=O)N(C1=CC=CC=C1C(O)=O)C1=CC=CC2=C1C=CC=C2,,"5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine",DB01412
5752,5752,5752,Not Available,CCC1=CC=C(NC(=O)P(O)(O)=O)C=C1,,Compound 4-D,DB05897
5753,5753,5753,Not Available,CN(C(C)=O)C1=CC=CC(=C1)C1=NN=C2C=CC(=NN12)C1=CC=CC=C1,,Carbinoxamine,DB04891
5754,5754,5754,Not Available,C(CN1C=CC=C1)OC1=CC2=C(NC=C2)C=C1,,N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE,DB03882
5755,5755,5755,Not Available,CS(=O)(=O)C1=CC=C(CN2CCN(CC2)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1,,Ulapualide A,DB06912
5756,5756,5756,Not Available,COC(=O)C1=CC2=CC=C(C=C2C(NC(=O)C2=CC=CC(O)=C2C)=C1)C(N)=N,,Isopropyl beta-D-thiogalactopyranoside,DB02772
5757,5757,5757,Sulfametopyrazine is an antibiotic used in the treatment or prevention of bacterial infections and malaria.,COC1=NC=CN=C1NS(=O)(=O)C1=CC=C(N)C=C1,,"(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime",DB09034
5758,5758,5758,Not Available,[H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O,,"N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide",DB07229
5759,5759,5759,"Diphenylpyraline is an antihistamine used for the treatment of allergic rhinitis, hay fever, and allergic skin disorders.",CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,,1-biphenyl-2-ylmethanamine,DB05472
5760,5760,5760,Camrelizumab is under investigation in clinical trial NCT03417895 (SHR-1210 Combined With Apatinib in Treatment of ED-SCLC After Failure of First Line Standard Therapy).,,,Terpinen-4-ol,DB08334
5761,5761,5761,Not Available,ONC(=O)CC1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1,,"L-erythro-7,8-dihydrobiopterin",DB04324
5762,5762,5762,Not Available,N1C=CC(=N1)C1=CC(=NO1)C1=CC=CC=C1,,4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE,DB07341
5763,5763,5763,Not Available,[H][C@](C)(O[P@]([H])(C)=O)C(C)(C)C,,Alfimeprase,DB00176
5764,5764,5764,Alanine is an amino acid commonly found as a component of total parenteral nutrition.,C[C@H](N)C(O)=O,,N-Carbamoylphenylalanine,DB16640
5765,5765,5765,Not Available,CN1CCN(CC1)C1=CC=C(CC2=CC3=CN=C(CN)N=C3N2C2CCCCC2)C=C1,,Hydantocidin-5'-phosphate,DB06898
5766,5766,5766,Not Available,[H][C@]1(CCCN1C(=O)CNC1CCCCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Desoxycorticosterone acetate,DB03860
5767,5767,5767,Not Available,[H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)NC[P@](O)(=O)O[C@@]([H])(CC1=CC=CC=C1)C(O)=O,,Medazepam,DB08110
5768,5768,5768,Not Available,,,TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE,DB07318
5769,5769,5769,The novel indole-ether quinazoline Cediranib is a highly potent (IC50 < 1 nmol/L) ATP-competitive inhibitor of recombinant KDR tyrosine kinase in vitro. It is being developed clinically as a once-daily oral therapy for the treatment of cancer.,COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1,,Delavirdine,DB03115
5770,5770,5770,Not Available,O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2,,"Deoxycytidylyl-3',5'-guanosine",DB08552
5771,5771,5771,Not Available,CC1=CN([C@H]2C[C@H](F)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,,Hexamidine,DB01025
5772,5772,5772,Not Available,[H]N1C(=O)N=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=C(C=C(C)C(C)=C3)[N+](=C2C1=O)S([O-])(=O)=O,,Epicept NP-1,DB05159
5773,5773,5773,Not Available,[H][C@@](CCCCCCNC(=O)OC(C)(C)C)(C(O)=O)C1=CNC2=C1C=CC=C2,,"2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-methylbenzonitrile",DB02230
5774,5774,5774,Not Available,CCC1=C2N=C(C=C(NCC3=CN=C(N)N=C3)N2N=C1)C1=C(F)C=CC=C1F,,KD3010,DB14074
5775,5775,5775,"Asimadoline is a proprietary small molecule therapeutic, originally discovered by Merck KGaA of Darmstadt, Germany. Asimadoline was originally developed to treat peripheral pain such as arthritis. Asimadoline is an orally administered agent that acts as a kappa opioid receptor agonist. It has shown encouraging clinical efficacy for the treatment of IBS in a barostat study in IBS patients and has the potential for treating other gastrointestinal diseases.",CN([C@H](CN1CC[C@H](O)C1)C1=CC=CC=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,D-alpha-Tocopherol acetate,DB13903
5776,5776,5776,Hyaluronidase (ovine) is a purified form of sheep hyaluronidase enzyme used as an adjunct in subcutaneous rehydration therapy and to increase absorption of other drugs and radiopaque imaging agents.,,MWTGLGPAVTLALVLVVAWATELKPTAPPIFTGRPFVVAWDVPTQDCGPRHKMPLDPKDMKAFDVQASPNEGFVNQNITIFYRDRLGMYPHFNSVGGSVHGGVPQNGSLWVHLEMLKGHVEHYIRTQEPAGLAVIDWEDWRPVWVRNWQDKDVYRRLSRQLVASHHPDWPPERIVKEAQYEFEFAARQFMLETLRFVKAFRPRHLWGFYLFPDCYNHDYVQNWETYTGRCPDVEVSRNDQLSWLWAESTALFPSVYLEETLASSTHGRNFVSFRVQEALRVADVHHANHALPVYVFTRPTYSRGLTGLSEMDLISTIGESAALGAAGVILWGDAGFTTSNETCRRLKDYLTRSLVPYVVNVSWAAQYCSWAQCHGHGRCVRRDPNAHTFLHLSASSFRLVPSHAPDEPRLRPEGELSWADRNHLQTHFRCQCYLGWGGEQCQWDRRRAAGGASGAWAGFHLTGLLAVAVLAFTWTS,Salophen iron chelate,DB08839
5777,5777,5777,"Dimercaprol is a chelating agent used as an antidote to arsenic, gold, and mercury poisoning, as well as acute lead poisoning in combination with edetate calcium disodium.",OCC(S)CS,,Lisuride,DB12645
5778,5778,5778,Not Available,CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N,,"4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",DB07009
5779,5779,5779,Not Available,CC1=NC=C(COP(O)(O)=O)C(CO)=C1O,,"N-1,10-phenanthrolin-5-ylacetamide",DB12769
5780,5780,5780,Labetuzumab is a humanized monoclonal antibody to carcinoembryonic antigen that inhibits tumor growth. It is used in radioimmunotherapy.,,,Ketoprofen,DB07533
5781,5781,5781,Not Available,NC1=CC=CC=C1CO,,Luprostiol,DB03380
5782,5782,5782,Not Available,[H][C@@](CC1CCCCC1)(NC(=O)N1CCOCC1)C(=O)N[C@@](C)(COCC1=CC=CC=C1)C#N,,5-(2-Chlorophenyl)Furan-2-Carboxylic Acid,DB00527
5783,5783,5783,Not Available,[H][C@]1(C)C=C(C)[C@]2([H])[C@]([H])(C)[C@@]1(CO)CO[C@]2([H])C1=CC=C(O)C=C1,,"ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate",DB07093
5784,5784,5784,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)CN(CC(O)O)CP(O)(O)=O,,5-phospho-D-arabinohydroxamic acid,DB08255
5785,5785,5785,Not Available,OC1=CC=CC=C1CC=C,,"N-Alpha-Acetyl-3,5-Diiodotyrosylglycine",DB08758
5786,5786,5786,Not Available,O=C1NN(CCC2=CC=CC=C2)C(=O)C2=C1C=CC=C2,,"N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine",DB02795
5787,5787,5787,"Ethinamate is a short-acting sedative-hypnotic medication used to treat insomnia. Like many such similar medications, the regular use of ethinamate can result in the development of drug tolerance in a patient. Nevertheless, the medication itself is generally no longer effective after using it for greater than 7 days. Structurally, it does not resemble the barbituates, but it shares many effects with this class of drugs; the depressant effects of ethinamate are, however, generally milder than those of most barbiturates.",NC(=O)OC1(CCCCC1)C#C,,2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid,DB06692
5788,5788,5788,Cytidine is a drug used to manage neuropsychiatric deficits associated with cerebrovascular diseases in combination with uridine.,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,Prednisolone,DB02565
5789,5789,5789,Not Available,NC1=CC2=C(C=C1)C1=CC=C(N)C=C1C(C1=CC=CC=C1)=[N+]2CCCCCCC1=CN(CCNC2=C3CCCCC3=NC3=C2C=CC=C3)N=N1,,Glycyl-L-alpha-amino-epsilon-pimelyl-D-alanine,DB07940
5790,5790,5790,Clenoliximab is a chimeric monoclonal antibody from Macaca irus against CD4 which acts as an immunomodulator. It has investigated for the treatment of rheumatoid arthritis.,,,L-Saccharopine,DB11090
5791,5791,5791,Not Available,[H]C(=O)CCC[C@H](N)C(O)=O,,"4-[(10s,14s,18s)-18-(2-Amino-2-Oxoethyl)-14-(1-Naphthylmethyl)-8,17,20-Trioxo-7,16,19-Triazaspiro[5.14]Icos-11-En-10-Yl]Benzylphosphonic Acid",DB03280
5792,5792,5792,Aminosalicylic acid is an aminosalicylate drug used to induce remission in ulcerative colitis.,NC1=CC(O)=C(C=C1)C(O)=O,,9-(4-hydroxybutyl)-N2-phenylguanine,DB02776
5793,5793,5793,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COS(=O)(=O)N([H])C(=O)[C@@H]4CCCN4[H])[C@@H](O)[C@H]3O)C2=NC=N1,,"5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one",DB02456
5794,5794,5794,Not Available,NC(=[NH2+])C1=CC2=C(NC(=N2)C2=CC=CNC2=O)C=C1,,5'-Fluoro-5'-Deoxyadenosine,DB00561
5795,5795,5795,Etoperidone is an atypical antidepressant introduced in Europe in 1977. It is a phenylpiperazine-substituted triazole derivative with a composition that classifies it as an analog of tradozone and presents a similar pharmacological profile.7 Etoperidone was developed by Angelini Francesco ACRAF.2,CCN1C(=O)N(CCCN2CCN(CC2)C2=CC=CC(Cl)=C2)N=C1CC,,1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE,DB16703
5796,5796,5796,Not Available,[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N,,AICA ribonucleotide,DB07268
5797,5797,5797,CTS-1027 has been used in trials studying the treatment of Hepatitis C and Chronic Hepatitis C Virus Infection.,ONC(=O)C1(CS(=O)(=O)C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCOCC1,,Palifermin,DB03524
5798,5798,5798,"Atoltivimab is part of a product containing three monoclonal IgG1κ antibodies directed against the GP1,2 glycoprotein of Zaire ebolavirus. Together, these three antibodies act to neutralize viral particles and to recruit immune effectors for the destruction of both viral particles and infected cells.",,,"Methyl(6s)-1-Thio-L-Manno-Hexodialdo-6,2-Pyranoside",DB02080
5799,5799,5799,"Methyprylon is a sedative of the piperidinedione derivative family that was previously used for the treatment of insomnia. However, with the introduction of newer drugs with fewer side effects, such as benzodiazepines, the clinical use of methyprylon is now limited. Methyprylon was withdrawn from the U.S. market in June 1965 and the Canadian market in September 1990 due to adverse events.",CCC1(CC)C(=O)NCC(C)C1=O,,Methylene blue,DB07765
5800,5800,5800,Not Available,ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1,,N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE,DB12702
5801,5801,5801,"A nicotinic cholinergic antagonist often referred to as the prototypical ganglionic blocker. It is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier. It has been used for a variety of therapeutic purposes including hypertension but, like the other ganglionic blockers, it has been replaced by more specific drugs for most purposes, although it is widely used a research tool.",C[N+](C)(C)CCCCCC[N+](C)(C)C,,Dapivirine,DB12153
5802,5802,5802,"KB001 is a Humaneered™ PEGylated monoclonal antibody fragment for the treatment of life-threatening Pseudomonas aeruginosa infections, a common problem of cystic fibrosis and mechanically ventilated patients.",,,2-Tridecanoyloxy-Pentadecanoic Acid,DB07211
5803,5803,5803,Not Available,OC1=CC=C(C=C1)C1=CC2=C(S1)C=C(O)C=C2,,Heptyl glucoside,DB00360
5804,5804,5804,Not Available,[H][C@@]12CCN(C1=O)C1=C3C=C(OC4=C(C=CC(CN5C=NC=C5CN2)=C4)C#N)C=CC3=CC=C1,,"D-gluconhydroximo-1,5-lactam",DB04045
5805,5805,5805,Not Available,N[C@@H](CC(=O)OP(O)(O)=O)C(O)=O,,Metergoline,DB04235
5806,5806,5806,"Canertinib is a pan-erbB tyrosine kinase inhibitor which work against esophageal squamous cell carcinoma in vitro and in vivo. Canertinib treatment significantly affects tumour metabolism, proliferation and hypoxia as determined by PET.",FC1=C(Cl)C=C(NC2=NC=NC3=CC(OCCCN4CCOCC4)=C(NC(=O)C=C)C=C23)C=C1,,Pyrethrum extract,DB07965
5807,5807,5807,Crizanlizumab is a monoclonal antibody that targets selectin to reduce the frequency of vasooclusive crises in patients with sickle cell disease.,,,Pantothenoylaminoethenethiol,DB12436
5808,5808,5808,Not Available,[Fe+4].[H]\C(=N/C1=CC=CC=C1\N=C(/[H])C1=CC=CC=C1[O-])C1=CC=CC=C1[O-],,Acetaminophen,DB07920
5809,5809,5809,Not Available,CCCCCCCCCCCCCCCC(=O)SCCNC(C)=O,,Brequinar,DB07472
5810,5810,5810,"Foretinib has been used in trials studying the treatment of Cancer, Breast Cancer, Carcinoma, Renal Cell, Recurrent Breast Cancer, and Neoplasms, Head and Neck, among others. Foretinib is an orally available small molecule compound designed to target multiple RTKs implicated in the development, progression and spread of cancer. It inhibits the activation of MET, RON, ERK and AKT, decreased proliferation and increased apoptosis.",COC1=C(OCCCN2CCOCC2)C=C2N=CC=C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3F)C2=C1,,"N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDINE-2-CARBOXAMIDE",DB07418
5811,5811,5811,Not Available,[H][C@]1(O)C=CC=C(C(O)=O)[C@]1([H])N,,DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME),DB08050
5812,5812,5812,Not Available,[H][C@]12CS[C@@]([H])(CCCCCC(O)=O)[C@@]1([H])NC(=O)N2,,Pyridoxine phosphate,DB00281
5813,5813,5813,Not Available,CC1=C(CC(O)=O)C(CCC(O)=O)=C(CC2=C(CC(O)=O)C(CCC(O)=O)=CN2)N1,,Oxazepam acetate,DB00071
5814,5814,5814,Desmopressin is a synthetic analog of vasopressin used to reduce renal excretion of water in central diabetes insipidus and nocturia.,NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O,,O3-Sulfonylgalactose,DB02093
5815,5815,5815,Not Available,ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1,,Calcium Phosphate,DB08511
5816,5816,5816,Erythropoietin is a recombinant form of human erythropoietin used to increase differentiation of progenitor cells to red blood cells in the treatment of anemia.,,APPRLICDSRVLERYLLEAKEAENITTGCAEHCSLNENITVPDTKVNFYAWKRMEVGQQAVEVWQGLALLSEAVLRGQALLVNSSQPWEPLQLHVDKAVSGLRSLTTLLRALGAQKEAISPPDAASAAPLRTITADTFRKLFRVYSNFLRGKLKLYTGEACRTGDR,Bimekizumab,DB17992
5817,5817,5817,Dexketoprofen is an NSAID that is the R(-)-enantiomer of racemic ketoprofen with analgesic and anti-inflammatory properties used for the treatment of mild to moderate pain.,[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1,,ERB-196,DB01774
5818,5818,5818,Not Available,[H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F,,3-Chlorophenol,DB03246
5819,5819,5819,Not Available,[H][C@@](C)(O)C1=CC(=NC2=C1C=CC[C@]2([H])O)C(O)=O,,(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE,DB01038
5820,5820,5820,"Paramethadione is an anticonvulsant in the oxazolidinedione class. It is associated with fetal trimethadione syndrome, which is also known as paramethadione syndrome.",CCC1(C)OC(=O)N(C)C1=O,,Aminobenzoic acid,DB07764
5821,5821,5821,One of the penicillins which is resistant to penicillinase but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O,,DTP-348,DB04440
5822,5822,5822,Not Available,CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O,,3-isobutyl-1-methyl-7H-xanthine,DB06688
5823,5823,5823,Not Available,NS(=O)(=O)C1=C(Cl)C=CC(=C1)[C@@]1(O)NC(=O)C2=C1C=CC=C2,,Mebendazole,DB03942
5824,5824,5824,Calcipotriol is a topical synthetic vitamin D2 derivative used in the treatment of plaque psoriasis.,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1,,Enoxacin,DB01814
5825,5825,5825,Not Available,CCOC1=CC=CC=C1SC1=C(C=C(C=C1)C1=CC(=NC=C1)N1CCN(CC1)C(C)=O)N(=O)=O,,"(4S)-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone",DB04173
5826,5826,5826,"Aniline, phenylamine or aminobenzene is an organic compound with the formula C6H5NH2. Consisting of an amine attached to a benzene ring, aniline is the prototypical aromatic amine. Being a precursor to many industrial chemicals, its main use is in the manufacture of precursors to polyurethane. Like most volatile amines, it possesses the somewhat unpleasant odour of rotten fish. Aniline is colorless, but it slowly oxidizes and resinifies in air, giving a red-brown tint to aged samples.",NC1=CC=CC=C1,,Memantine,DB05107
5827,5827,5827,TRC093 is a recombinant humanized IgG1k monoclonal antibody.,,,Mephentermine,DB15691
5828,5828,5828,Not Available,ClC1=CC=C(CCC2(CN3C=CN=C3)OCCO2)C=C1,,Rocuronium,DB03251
5829,5829,5829,Not Available,[H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Clobazam,DB02666
5830,5830,5830,Not Available,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C,,"N-ethyl-N-[3-(propylamino)propyl]propane-1,3-diamine",DB01564
5831,5831,5831,Not Available,[NH3+]CC1=CC=C(F)C=C1,,"Synthetic Conjugated Estrogens, A",DB14973
5832,5832,5832,"Cefuroxime is a cephalosporin indicated for the treatment of a variety of infections including acute bacterial otitis media, several upper respiratory tract infections, skin infections, urinary tract infections, gonorrhea, early Lyme disease, and impetigo.",[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O,,3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE,DB07051
5833,5833,5833,"Ubenimex (also known as bestatin) is a competitive protease inhibitor. It is an inhibitor of aminopeptidase B, leukotriene A4 hydrolase, aminopeptidase N. It is being studied for use in the treatment of acute myelocytic leukemia.",CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O,,"METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE",DB03777
5834,5834,5834,Not Available,[H]N(C1=CC=C(OC[C@H](O)CN(C)C)C=C1)C1=NC=CC(=N1)N([H])C1=C(Cl)C=CC(Cl)=C1,,Para-Iodo-D-Phenylalanine Hydroxamic Acid,DB09070
5835,5835,5835,"Cenicriviroc has been used in trials studying the treatment of HIV-infection/AIDS, AIDS Dementia Complex, Nonalcoholic Steatohepatitis, Human Immunodeficiency Virus, and HIV-1-Associated Cognitive Motor Complex.",CCCCOCCOC1=CC=C(C=C1)C1=CC2=C(C=C1)N(CC(C)C)CCC\C(=C/2)C(=O)NC1=CC=C(C=C1)[S@@](=O)CC1=CN=CN1CCC,,5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID,DB08576
5836,5836,5836,Not Available,[H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(N)C3=NN2)[C@]([H])(O)[C@]1([H])O,,Cyclobenzaprine,DB00454
5837,5837,5837,Ganciclovir is a DNA polymerase inhibitor used to treat cytomegalovirus and herpetic keratitis of the eye.,NC1=NC2=C(N=CN2COC(CO)CO)C(=O)N1,,Pramlintide,DB01561
5838,5838,5838,Not Available,NC1=NC=CC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,Lamotrigine,DB08368
5839,5839,5839,Not Available,OC(=O)C1=CC=CN1,,Regdanvimab,DB06140
5840,5840,5840,Irinotecan is a topoisomerase inhibitor used to treat metastatic carcinoma of the colon or rectum and pancreatic adenocarcinoma.,CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC2=CC=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=C12,,Bradanicline,DB07043
5841,5841,5841,"Dimethyl sulfoxide is a reversible mitogen-activated extracellular signal-regulated kinase-1 (MEK1) and MEK2 inhibitor used to treat certain types of melanoma, metastatic non-small cell lung cancer, and locally advanced or metastatic anaplastic thyroid cancer.",CS(C)=O,,"2,4-Diamino-5-phenyl-6-ethylpyrimidine",DB12808
5842,5842,5842,Not Available,[H]\C1=C([H])/C2=CC(OC)=CC(O)=C2C(=O)O[C@]([H])(C)C\C([H])=C([H])/C(=O)[C@@]([H])(O)[C@@]([H])(O)C1,,OBE101,DB05105
5843,5843,5843,Not Available,O[C@@H]1CN(N(CC2=CC=C(O)C=C2)C(=O)N(CC2=CC=C(O)C=C2)[C@@H]1CC1=CC=CC=C1)S(=O)(=O)C1=CC(=CC=C1)C#N,,Degraded Cephaloridine,DB05812
5844,5844,5844,Not Available,OCC[C@@H](O)[C@H](O)[C@H](O)\C=C\P(O)(O)=O,,"(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE",DB04618
5845,5845,5845,Not Available,O=CN(C1CCC1)C1CCCC1,,"7,8-dihydro-6-hydroxymethyl-7-methyl-7-[2-phenylethyl]-pterin",DB08061
5846,5846,5846,Rimantadine is an RNA synthesis inhibitor used to prevent influenza A infection.,CC(N)C12CC3CC(CC(C3)C1)C2,,AUROVERTIN B,DB08778
5847,5847,5847,Vaborbactam is a beta lactamase inhibitor used to treat complicated urinary tract infections.,OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)CC1=CC=CS1,,"5,6-Dihydro-Benzo[H]Cinnolin-3-Ylamine",DB04641
5848,5848,5848,"Bardoxolone has been used in trials studying the treatment of LYMPHOMA and Solid Tumors. It is a synthetic triterpenoid and a highly potent activator of redox-sensitive signaling pathways that induce programmed cell death (apoptosis) in cancer cells that are under high levels of intrinsic oxidative stress. In contrast, Bardoxolone in normal cells induces protective antioxidant/anti-inflammatory responses.",CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O,,ICA-105665,DB04281
5849,5849,5849,Opium is a medication used to treat moderate to severe pain.,,,Magnesium salicylate,DB04639
5850,5850,5850,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=NC=NC=C23)[C@]([H])(O)[C@]1([H])O,,{(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate,DB11689
5851,5851,5851,Not Available,[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)C(=O)NO)C(=O)NCC(=O)NC1=CC=C(C=C1)[N+]([O-])=O,,Technetium Tc-99m ciprofloxacin,DB01601
5852,5852,5852,Not Available,CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Metanitrophenyl-Alpha-D-Galactoside,DB15822
5853,5853,5853,Not Available,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,,Aldesleukin,DB04743
5854,5854,5854,Not Available,CCOC1=CC=C(C=C1)C1=C(C#N)C(N)=NC2=C1C(N)=C(S2)C(N)=O,,N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID,DB08915
5855,5855,5855,"ATG003, a novel anti-angiogenic drug candidate and a formulation of mecamylamine, is currently in clinical development for neovascular age-related macular degeneration.",,,Glutamine hydroxamate,DB06956
5856,5856,5856,Not Available,CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1NC1=NC=CC=C1C1=CC=NC=N1,,Naphthyridine Inhibitor,DB01330
5857,5857,5857,"A nonreducing disaccharide composed of glucose and fructose linked via their anomeric carbons. It is obtained commercially from sugarcane, sugar beet (beta vulgaris), and other plants and used extensively as a food and a sweetener.",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,,Glycolic acid,DB00252
5858,5858,5858,Epcoritamab is a bispecific CD20-directed CD3 T-cell engager used to treat relapsed or refractory diffuse large B-cell lymphoma (DLBCL) in adults.,,EVKLVESGGGLVQPGGSLRLSCAASGFTFNTYAMNWVRQAPGKGLEWVARIRSKYNNYATYYADSVKDRFTISRDDSKSSLYLQMNNLKTEDTAMYYCVRHGNFGNSYVSWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVAVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFLLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate,DB03822
5859,5859,5859,"Piretanide is a loop diuretic used to manage essential arterial hypertension and edema cardiac, hepatic, and renal origin.",NS(=O)(=O)C1=CC(=CC(N2CCCC2)=C1OC1=CC=CC=C1)C(O)=O,,OLOMOUCINE II,DB06883
5860,5860,5860,Not Available,OC1=CC=C(C=C1)N1N=C2C=CC(O)=CC2=C1Cl,,"3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE",DB04126
5861,5861,5861,"Crizotinib is a receptor tyrosine kinase inhibitor used to treat metastatic non-small cell lung cancer (NSCLC) where the tumors have been confirmed to be anaplastic lymphoma kinase (ALK), or ROS1-positive.",[H][C@](C)(OC1=CC(=CN=C1N)C1=CN(N=C1)C1CCNCC1)C1=C(Cl)C=CC(F)=C1Cl,,Farletuzumab,DB04360
5862,5862,5862,Not Available,NC(=O)C1=CC=CC=C1NC1=NC(NC2=CC(O)=CC=C2)=NC=C1,,"1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide",DB05104
5863,5863,5863,Not Available,[H]\C(=C(\[H])C1=C(O)C=C(O)C=C1)C(O)=O,,"2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione",DB00655
5864,5864,5864,Not Available,[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O,,"octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside",DB08027
5865,5865,5865,Not Available,CN1C=NC2=C1[N+](C)=CN=C2N,,Sparfloxacin,DB15463
5866,5866,5866,Not Available,BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1,,"4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine",DB08159
5867,5867,5867,"2,5-Dimethoxy-4-ethylthioamphetamine (ALEPH-2) is a phenylisopropylamine derivative with alleged anxiolytic and hallucinogenic properties.",CCSC1=CC(OC)=C(CC(C)N)C=C1OC,,N-Octyl-2-Hydroxyethyl Sulfoxide,DB07313
5868,5868,5868,Not Available,Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.Br.[Br-].[Ta].[Ta].[Ta].[Ta].[Ta].[Ta+],,"4,6-dideoxy-4-amino-alpha-D-glucose",DB14766
5869,5869,5869,Not Available,NC(C(O)=O)C(O)=O,,CP-122721,DB03911
5870,5870,5870,Pefloxacin is an antibiotic used to treat a variety of bacterial infections.,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1,,ACA 125,DB02579
5871,5871,5871,Epoprostenol is a vasodilator and platelet aggregation inhibitor used for the management of primary pulmonary hypertension and pulmonary hypertension in patients with heart failure.,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC(O)=O,,Rufinamide,DB02119
5872,5872,5872,Not Available,[H][C@]1(CC\N=C2/NC[C@]([H])(Cl)N(CCNCC3=CSC4=CC=C(Cl)C=C34)C2O)CCCCN1,,"1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE",DB07838
5873,5873,5873,Eugenol is a phenol used for the temporary relief of toothaches.,COC1=C(O)C=CC(CC=C)=C1,,Polythiazide,DB00151
5874,5874,5874,Not Available,[H][C@@]12CC[C@](OC(=O)CC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Zoledronic acid,DB04761
5875,5875,5875,Orphenadrine is a muscarinic antagonist used as an adjunct for the symptomatic relief of musculoskeletal pain and discomfort.,CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C,,Moclobemide,DB00123
5876,5876,5876,"Aluminium monostearate is a salt of stearic acid and aluminium with the molecular formula Al(OH)2C18H35O2. Also known as dihydroxyaluminium or dihydroxy(stearato)aluminium, it is used to form gels in the packaging of pharmaceuticals and in the preparation of colors for cosmetics. While considered safe for use, extensive usage may result in aluminum accumulation.",CCCCCCCCCCCCCCCCCC(=O)O[Al](O)O,,NRP409,DB08632
5877,5877,5877,Betibeglogene autotemcel is a hematopoietic stem cell-based gene therapy used in the treatment of β-thalassemia in adult and pediatric patients who require regular red blood cell transfusions.,,,1-deoxy-1-methoxycarbamido-beta-D-glucopyranose,DB01923
5878,5878,5878,"NOX-700, an new orally active dithiocarbamate-based nitric oxide (NO) blocking agent that is in development for the treatment of diabetes mellitus (type 2 diabetes). In animal studies, NOX-700 lowered serum glucose, improved glucose tolerance, and reduced the percentage of total glycated hemoglobin. Immunohistochemical studies on
pancreatic tissue also showed that NOX-700 therapy effectively preserved islet structure and increased insulin immunoreactivity. It has since been found that oxidative signaling of the redox-sensitive transcription factor, NF-κB, and inhibiting protein glycation are responsible for the drug's therapeutic effects.",,,Lysine,DB09213
5879,5879,5879,Not Available,[H][C@](C)(CNS(C)(=O)=O)C1=CC=C(C=C1)C1=CC=C(C=C1)[C@@]([H])(C)CNS(C)(=O)=O,,"N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",DB03290
5880,5880,5880,"Formaldehyde is a naturally occurring hazardous organic compound used as a preservative in animal feed, cosmetic products, laboratory procedures, disinfection, and home building products.",[H]C([H])=O,,NF-kappaB Decoy,DB08814
5881,5881,5881,"Apomorphine is a morphine derivative D2 dopamine agonist used to treat hypomobile ""off"" episodes of advanced Parkinson's disease.",[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23,,Ceftizoxime,DB00065
5882,5882,5882,"SGS518, a novel antagonist for the 5HT6 subtype of the serotonin receptor, is being developed as a treatment for Cognitive Impairment Associated with Schizophrenia (CIAS).",,,Chromous sulfate,DB04186
5883,5883,5883,"SLV319 belongs to a novel class of agents called CB1 antagonists, which work by blocking the cannabinoid type 1 (CB1) receptor. It is developed for the treatment of obesity and other metabolic disorders.",,,2-Methoxy-3-Isopropylpyrazine,DB01133
5884,5884,5884,Not Available,[H][C@](O)(C(=O)NCCC(=O)NCCS)C(C)(C)COC(=O)C(C)(C)C,,Obinutuzumab,DB03344
5885,5885,5885,Not Available,C[C@@](O)(CCO)CC(O)=O,,Estramustine,DB12569
5886,5886,5886,Delavirdine is a non-nucleoside reverse transcriptase inhibitor used to treat HIV infection.,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2,,Tenecteplase,DB02811
5887,5887,5887,Not Available,CC1=CC=C2N=C3N(CC[C@@]3(O)C(=O)C2=C1)C1=CC=CC=C1,,Streptozocin,DB16099
5888,5888,5888,A hormone secreted by the adrenal cortex that regulates electrolyte and water balance by increasing the renal retention of sodium and the excretion of potassium.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C=O)C(=O)CO,,Nafcillin,DB07592
5889,5889,5889,Glycol salicylate is a salicylate used to treat mild to moderate muscle pain.,OCCOC(=O)C1=CC=CC=C1O,,Diclofenac,DB00670
5890,5890,5890,Not Available,CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F,,4-O-methyl-beta-D-glucuronic acid,DB03955
5891,5891,5891,Not Available,NC1=NC(=O)C2=C(N1)N=C[C@@H]1CN(CN21)C1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O,,Aspartic acid,DB07294
5892,5892,5892,Not Available,NC(=O)C1=C[NH+]=CC(=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,,Gliquidone,DB07058
5893,5893,5893,Itopride is an acetylcholine esterase inhibitor and dopamine D2 receptor antagonist used to treat symptoms of functional dyspepsia such as nausea and vomiting.,COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1,,4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE,DB04062
5894,5894,5894,"Seletracetam is a pyrrolidone derivative and with a structural similarity to newer generation antiepileptic drug levetiracetam. It binds to the same target as levetiracetam but with higher affinity and has shown potent seizure suppression in models of acquired and genetic epilepsy with high CNS tolerability. It is predicted to have low drug-drug interactions and inhibition or induction of any major human metabolizing enzymes. Seletracetam was in Phase II clinical trials under the supervision of the U.S. Food and Drug Administration (FDA) investigated as treatment of epilepsy and partial epilepsy however its development had been put on hold in July 2007. As of 2010, its production was further halted due to the investigation of a newer antiepileptic agent, brivaracetam.",CC[C@H](N1C[C@@H](CC1=O)C=C(F)F)C(N)=O,,WIN-54954,DB13894
5895,5895,5895,Silodosin is an alpha-1 adrenergic receptor antagonist used to treat symptoms associated with benign prostatic hyperplasia (BPH).,C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F,,Ivosidenib,DB16200
5896,5896,5896,Not Available,CC1=NNC=C1C1=CC=C(CCN)C=C1,,4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile,DB03142
5897,5897,5897,Not Available,OB(O)C1=CC(NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C2=CC=CC=C2)=CC=C1,,Paramethadione,DB11967
5898,5898,5898,Not Available,[H]N(C(C)=O)[C@]([H])(CC1=CC=C(Cl)C=C1)[B-](O)(O)O,,Protokylol,DB08322
5899,5899,5899,Sulfamethizole is a sulfonamide antibiotic used to treat a wide variety of susceptible bacterial infections.,CC1=NN=C(NS(=O)(=O)C2=CC=C(N)C=C2)S1,,Acalabrutinib,DB06241
5900,5900,5900,Not Available,OP(O)(=O)OC1=C2NCCCC2=CC=C1,,Tolfenamic acid,DB00845
5901,5901,5901,Crofelemer is an antidiarrheal agent used for the symptomatic relief of drug-induced non-infectious diarrhea in adult patients with HIV/AIDS receiving antiretroviral therapy.,,,Siroheme,DB06497
5902,5902,5902,Equilenin is an estrogenic steroid produced by horses. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the urine of pregnant mares.,[H][C@@]12CCC(=O)[C@@]1(C)CCC1=C2C=CC2=C1C=CC(O)=C2,,Guselkumab,DB00410
5903,5903,5903,"Sorafenib is a kinase inhibitor used to treat unresectable liver carcinoma, advanced renal carcinoma, and differentiated thyroid carcinoma.",CNC(=O)C1=NC=CC(OC2=CC=C(NC(=O)NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1,,Becocalcidiol,DB02527
5904,5904,5904,Flufenamic acid is an analgesic drug used to relieve pain associated with rheumatoid diseases.,OC(=O)C1=CC=CC=C1NC1=CC(=CC=C1)C(F)(F)F,,Lomustine,DB04426
5905,5905,5905,Antithrombin Alfa is a recombinant antithrombin used to treat peri-operative and peripartum thromboembolic events in hereditary antithrombin deficiency.,,,L-methionine (S)-S-oxide,DB02161
5906,5906,5906,"One of the adrenergic beta-antagonists used as an antihypertensive, anti-anginal, and anti-arrhythmic agent. Alprenolol is no longer marketed by AstraZeneca, but may still be available in generic varieties.",CC(C)NCC(O)COC1=CC=CC=C1CC=C,,Apricitabine,DB05020
5907,5907,5907,Not Available,CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O,,Modified Ribosylated Glutamyl Ester,DB07851
5908,5908,5908,Not Available,[H][C@](CO)(COC(=O)CCCCCCCC)OC(=O)CCC,,Antimonous acid,DB12184
5909,5909,5909,"Cannabidivarin, also known as cannabidivarol or CBDV, is a non-psychoactive cannabinoid found within Medical Cannabis. It is one of over 100 cannabinoids identified from the Cannabis plant that can modulate the physiological activity of cannabis, or marijuana 3. Compared to its homolog, Cannabidiol, CBDV is shortened by two methyl (CH2) groups on its side chain. Notably, both Cannabidiol and CBDV have demonstrated anticonvulsant activity in animal and human models and are demonstrating promising clinical trial results 2,4,5,6. Other cannabinoids with some evidence of anti-epileptic activity include Tetrahydrocannabivarin (THCV) and Δ9-tetrahydrocannabinolic acid.",[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCC)C=C1O)C(C)=C,,Morphine glucuronide,DB02966
5910,5910,5910,Pholcodine is an opioid antitussive used to suppress unproductive coughing.,[H][C@@]12OC3=C(OCCN4CCOCC4)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2O,,Brincidofovir,DB04002
5911,5911,5911,Not Available,N(C1=NC=CN1)C1=CC=C(NC2=CC=C(NC3=NC=CN3)C=C2)C=C1,,Chlorotrianisene,DB01857
5912,5912,5912,"Nylidrin is a vasodilator used to treat patients with peripheral vascular disorders, and elderly patients with symptoms associated with organic mental disorders.",CC(CCC1=CC=CC=C1)NC(C)C(O)C1=CC=C(O)C=C1,,Simoctocog alfa,DB08079
5913,5913,5913,Amivantamab is an EGF and MET receptor targeted antibody indicated in the treatment of non-small cell lung cancer with an EGFR 20 exon insertion mutation.,,,CYT997,DB01558
5914,5914,5914,Not Available,CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1,,alpha-Naphthoflavone,DB00426
5915,5915,5915,Not Available,O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12,,O-Succinylbenzoate,DB04387
5916,5916,5916,Not Available,[H][C@](N)(CC1CCCCC1)[C@@]([H])(O)[C@@]([H])(O)CC(C)C,,Curcumin sulfate,DB00801
5917,5917,5917,Raltegravir is an antiretroviral agent used for the treatment of HIV infections in conjunction with other antiretrovirals.,CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1,,3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE,DB03256
5918,5918,5918,"SPP1148, the most promising compound from a new series of renin inhibitors for the treatment of hypertension and related end-organ disease.",,,Tideglusib,DB04310
5919,5919,5919,Not Available,NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O,,Abequose,DB11979
5920,5920,5920,Nilotinib is a kinase inhibitor used for the chronic phase treatment of Chronic Myeloid Leukemia (CML) that is Philadelphia chromosome positive and for the treatment of CML that is resistant to therapy containing imatinib.,CC1=CN(C=N1)C1=CC(NC(=O)C2=CC=C(C)C(NC3=NC=CC(=N3)C3=CN=CC=C3)=C2)=CC(=C1)C(F)(F)F,,EP-2104R,DB11672
5921,5921,5921,Not Available,[H]N([C@@H](CC1=CC=CC=C1)C(=O)N([H])[C@@H](CCC1=CC=CC=C1)CCS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OCC1=CC=CC=C1,,4-Thio-beta-D-glucopyranose,DB00276
5922,5922,5922,Not Available,NC(=N)NC(=O)CN1C(=CC=C1C1=CC=CC=C1)C1=CC=CC=C1,,N(6)-(pyridoxal phosphate)-L-lysine,DB05461
5923,5923,5923,"A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.",CCCC(O)=O,,Dihydroergocristine,DB07429
5924,5924,5924,"Patent Blue is a dye used to label lymphatic vessels, arterial territories, and lymph nodes prior to biopsy in some cancers.",CCN(CC)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC)C1=C(C=C(C(O)=C1)S(O)(=O)=O)S(O)(=O)=O,,KH064,DB08095
5925,5925,5925,Not Available,CC(C)=CCC\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O,,TG100-115,DB12442
5926,5926,5926,Not Available,N[C@@H](CCCCNC(O)=O)C(O)=O,,(R)-2-Hydroxy-3-Sulfopropanoic Acid,DB11274
5927,5927,5927,Sparfosic acid is a solid. This compound belongs to the n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at the terminal nitrogen atom. This substance is known to target aspartate carbamoyltransferase catalytic chain and CAD protein.,[H]N([C@@H](CC(O)=O)C(O)=O)C(=O)CP(O)(O)=O,,2-OXOHEPTYLPHOSPHONIC ACID,DB01128
5928,5928,5928,Not Available,[H][C@@](C)(N)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC1=CC=CC=C1)[C@@]([H])(C)O,,Histrelin,DB12007
5929,5929,5929,Not Available,FC1=C2C(=O)NC(=O)N(CCCCN3CCC(=CC3)C3=CC=CC=C3)C2=CC=C1,,"N-[1,3-Di(4-morpholinyl)-2-propanyl]-3-(α-D-galactopyranosyloxy)-5-nitrobenzamide",DB02973
5930,5930,5930,Not Available,[H][C@](C)(NC=O)NC(=O)[C@]([H])(C)NC(=O)OC(C)(C)C,,Mezlocillin,DB04165
5931,5931,5931,Not Available,[H][C@](C)(O)[C@]([H])(N)[C@]([H])(O)C#CC1=C(F)C=CC2=C1\C(=C\C1=C(OC)C=CN1)C(=O)N2,,Hexadecyl Octanoate,DB08678
5932,5932,5932,Phendimetrazine is a sympathomimetic amine used as adjunct therapy for the short term management of exogenous obesity.,C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1,,(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,DB06952
5933,5933,5933,Felbamate is an anticonvulsant used to treat severe epilepsy.,NC(=O)OCC(COC(N)=O)C1=CC=CC=C1,,N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE,DB02770
5934,5934,5934,Milnacipran is a selective serotonin and norepinephrine reuptake inhibitor (SNRI) used for the treatment of fibromyalgia and a short-term treatment of major depressive disorder.,CCN(CC)C(=O)C1(CC1CN)C1=CC=CC=C1,,Volixibat,DB08820
5935,5935,5935,Not Available,NC1=NC(=CS1)C1=NC(N)=NC=C1,,XL228,DB09203
5936,5936,5936,Not Available,NCCCN1CCN(CCCNC(=O)C2=CC(NC(=O)CC3=CC=CS3)=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)CC1,,Thiocamphor,DB04702
5937,5937,5937,Not Available,[H][C@@](CC(C)C)(N[C@@]([H])(C1=CC=C(C=C1)C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F)C(=O)NCCN,,Argadin,DB12240
5938,5938,5938,Valrubicin is an anthracycline used intravesically in the treatment of BCG-resistant bladder carcinoma.,[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(O)=C12)C(=O)C1=C(OC)C=CC=C1C3=O)C(=O)COC(=O)CCCC)O[C@H]1C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O1,,"(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE",DB03543
5939,5939,5939,Tyloxapol is a non-ionic detergent often used as a surfactant.,,,Briakinumab,DB02327
5940,5940,5940,Triazolam is a benzodiazepine used for short term treatment of insomnia.,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12,,Hexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester,DB08768
5941,5941,5941,Not Available,OC1=CC(O)=C(Cl)C=C1C1=NOC2=C1C=C(NCCN1CCOCC1)C=C2,,Maribavir,DB01326
5942,5942,5942,Leniolisib is a phosphoinositide 3-kinase-delta inhibitor that is used to treat activated phosphoinositide 3-kinase delta syndrome.,CCC(=O)N1CC[C@@H](C1)NC1=C2CN(CCC2=NC=N1)C1=CN=C(OC)C(=C1)C(F)(F)F,,Phosphonoacetic Acid,DB00496
5943,5943,5943,Repotrectinib is a tyrosine kinase inhibitor used to treat locally active or metastatic non-small cell lung cancer,C[C@H]1CNC(=O)C2=C3N=C(N[C@H](C)C4=CC(F)=CC=C4O1)C=CN3N=C2,,Isocaproic acid,DB01668
5944,5944,5944,Not Available,[H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,,Loperamide,DB03975
5945,5945,5945,"Tetrahydrocannabivarin (THCV) is a propyl analogue of tetrahydrocannabinol (Δ9-THC), one of the primary pharmacological components of Medical Cannabis. Δ9-THC is currently available in several synthetic forms, including Dronabinol, while purified or isolated THCV is not approved for any medical uses and is not available as any marketed products. As a major phytocannabinoid, however, THCV is accessible within Medical Cannabis along with other identified cannabinoids including Cannabidiol (CBD), cannabinol (CBN), cannabigerol (CBG), cannabichromene (CBC), cannabivarin (CBV), and Cannabidivarin (CBDV).",CCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1,,Primidone,DB07639
5946,5946,5946,"beta-Alanine is an amino acid formed in vivo by the degradation of dihydrouracil and carnosine. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported.",NCCC(O)=O,,2-Methyl-3-(2-Aminothiazolo)Propanal,DB05507
5947,5947,5947,LY517717 is an investigational oral direct inhibitor of activated Factor Xa. It is believed to be Lilly's PMD-3112 (licensed from Amgen).,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H](NC(=O)C1=CC=C2C=CNC2=C1)C1=CC=CC=C1,,N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE,DB12110
5948,5948,5948,Not Available,NC(=N)C1=CC=C(CC(=O)C(O)=O)C=C1,,3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE,DB01199
5949,5949,5949,Silicon dioxide is an ingredient found in a variety of supplements and vitamins.,O=[Si]=O,,"2-Hydroxymethyl-Pyrrolidine-3,4-Diol",DB03840
5950,5950,5950,Not Available,N(C1=CNC2=NC=CC=C12)C1=CC=CC=C1,,(C8-S)-Hydantocidin 5'-phosphate,DB07284
5951,5951,5951,Not Available,CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCC,,ISO24,DB07617
5952,5952,5952,Not Available,CCCCCCCNC=O,,Cyclohexanone,DB13119
5953,5953,5953,Not Available,OB(O)C1=CC=CC(=C1)[N+]([O-])=O,,"5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE",DB07339
5954,5954,5954,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C(O)=O,,6-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-2(1H)-ONE,DB07329
5955,5955,5955,Not Available,OC(=O)C1=NC2=CC=CC=C2N1,,Almitrine,DB12518
5956,5956,5956,Not Available,CC(C)C1=CN=C(NC2=CC=C(C=C2)S(N)(=O)=O)S1,,Nitrocefin Acyl-Serine,DB00148
5957,5957,5957,Not Available,NC1=NNC2=CC=C(C=C12)C1=CC=CC=C1,,"2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide",DB07513
5958,5958,5958,"CYT997 is an orally available vascular targeting and cytotoxic agent that has proven effective in animal models of a wide range of tumour types including breast, prostate and colon, as well as some leukemias.",,,Pyridoxine,DB03586
5959,5959,5959,"INCB13739 is developed as a new treatment for type 2 diabetes.
It is an orally available small molecule inhibitor of 11beta-HSD1 (11-beta hydroxysteroid dehydrogenase type 1). 11beta-HSD1 is an enzyme that appears to be critical to the development of type 2 diabetes.",,,N-acetylserotonin,DB03051
5960,5960,5960,Flurbiprofen is an NSAID used to treat the signs and symptoms of osteoarthritis and rheumatoid arthritis.,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,,"[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid",DB03215
5961,5961,5961,Diazoxide is a non diuretic benzothiadiazine indicated for the management of hypoglycemia in patients who produce an excess of insulin caused by a variety of conditions.,CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2,,Tryptophanamide,DB12537
5962,5962,5962,"99mTc-Ciprofloxacin is a new formulation of ciprofloxacin (INFECTON), being investigated as a radioimaging agent for the potential diagnosis of infection, including fever of unknown origin, osteomyelitis, wound infection, abdominal abscess, pneumonia, appendicitis and tuberculosis. INFECTON combines the widely used antibiotic, ciprofloxacin, with Technetium ((99m)Tc), the most commonly used radioisotope in nuclear medical imaging There is currently controversy around the drug's ability to discriminate between sterile inflammation and bacterial versus nonbacterial infections.",,,"4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HEXOPYRANOSYL-(1->4)HEXOPYRANOSYL-(1->4)HEXOPYRANOSE",DB08126
5963,5963,5963,Not Available,NCCOC(=O)CC1=C2C=CC=CC2=CC=C1,,"N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate",DB07067
5964,5964,5964,Not Available,[H][C@@]12CC[C@H](C(=O)COC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Diphenidol,DB06530
5965,5965,5965,Not Available,CC(C)OC(=S)NC1=CC(C(=O)OC(C)C)=C(Cl)C=C1,,Denileukin diftitox,DB03760
5966,5966,5966,A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids. [PubChem],N[C@H](CO)C(O)=O,,Zucapsaicin,DB07467
5967,5967,5967,"Paromomycin is an aminoglycoside antibiotic used in the treatment of acute and chronic intestinal amebiasis, and as an adjunct for the management of hepatic coma.",NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,,"1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine",DB01205
5968,5968,5968,"Chlorthalidone is a diuretic used to treat hypertension or edema caused by heart failure, renal failure, hepatic cirrhosis, estrogen therapy, and other conditions.",NS(=O)(=O)C1=C(Cl)C=CC(=C1)C1(O)NC(=O)C2=CC=CC=C12,,"(5-hydroxyindolo[1,2-a]quinazolin-7-yl)acetic acid",DB06413
5969,5969,5969,Not Available,COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1,,"(4R)-limonene 1α,2α-epoxide",DB00874
5970,5970,5970,"Amantadine is a medication used to treat dyskinesia in Parkinson's patients receiving levodopa, as well as extrapyramidal side effects of medications.",NC12CC3CC(CC(C3)C1)C2,,TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE,DB01958
5971,5971,5971,Not Available,N1C2=CC=CC=C2C2=CC=CC=C12,,Cariporide,DB04977
5972,5972,5972,Not Available,N[C@@H](CC1=CCCCC2=C1C(=O)NO2)C(O)=O,,6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-2-AMINE,DB02435
5973,5973,5973,Not Available,NC1=NC(OCCOC2=CC=CC=C2)=NC(N)=N1,,Prilocaine,DB01185
5974,5974,5974,Trovafloxacin is an antibiotic used to treat gonorrhea and chlamydia.,[H][C@@]12CN(C[C@]1([H])[C@H]2N)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=C(F)C=C(F)C=C1)C(O)=O,,2-(4-METHOXYPHENYL)ACETAMIDE,DB01153
5975,5975,5975,Celiprolol is a beta-blocker for the management of hypertension and angina pectoris.,CCN(CC)C(=O)NC1=CC=C(OCC(O)CNC(C)(C)C)C(=C1)C(C)=O,,4-[4-(4-Methyl-2-Methylamino-Thiazol-5-Yl)-Pyrimidin-2-Ylamino]-Phenol,DB05849
5976,5976,5976,Carglumic acid is an analog of N-acetylglutamate (NAG) used for the treatment of acute and chronic hyperammonemia in patients with N-acetylglutamate synthase (NAGS) deficiency.,NC(=O)N[C@@H](CCC(O)=O)C(O)=O,,"4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol",DB01072
5977,5977,5977,Procaterol is a beta-2 adrenergic receptor agonist and bronchodilator used for the treatment of asthma and chronic obstructive pulmonary disease (COPD).,CC[C@@H](NC(C)C)[C@@H](O)C1=CC=C(O)C2=C1C=CC(=O)N2,,5-Benzylacyclouridine,DB13868
5978,5978,5978,Not Available,ClC1=CC=C(OCC(=O)NC2=CC=CC=C2)C(=C1)C(=O)C1=CC=CC=C1,,"(2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE",DB08379
5979,5979,5979,"Erythritol is a four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator.",OC[C@H](O)[C@H](O)CO,,"3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE",DB03651
5980,5980,5980,Not Available,[H][C@@]1(CCCN1C1=NC(=NC(C)=C1)N1C=CN=C1)C(=O)NCCC1=CC2=C(OCO2)C=C1,,Soybean oil,DB12379
5981,5981,5981,Not Available,[H][C@](N)(CC1=CC=C2C=CC=CC2=C1)C(O)=O,,6-fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine,DB13729
5982,5982,5982,"Hydrocortamate is a synthetic glucocorticoid used for its anti-inflammatory or immunosuppressive properties to treat inflammation due to corticosteroid-responsive dermatoses. Glucocorticoids are a class of steroid hormones characterised by an ability to bind with the cortisol receptor and trigger a variety of important cardiovascular, metabolic, immunologic and homeostatic effects.",[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)",DB07870
5983,5983,5983,Cobimetinib is an antineoplastic agent and selective inhibitor of the mitogen-activated extracellular kinase (MEK) pathway used to treat unresectable or metastatic melanoma.,OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1,,Dicloxacillin,DB12116
5984,5984,5984,Not Available,IC1=CC=CC=C1,,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-n-[(1S)-1-(hydroxymethyl)propyl]acetamide,DB01929
5985,5985,5985,Flunitrazepam is a benzodiazepine used to manage anxiety disorders and insomnia.,CN1C2=C(C=C(C=C2)[N+]([O-])=O)C(=NCC1=O)C1=CC=CC=C1F,,"N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide",DB04894
5986,5986,5986,"Neihulizumab is a novel immune checkpoint agonistic antibody that binds to human CD162 (PSGL-1), thereby preferentially inducing apoptosis in late stage activated T cells.1",,,Deramciclane,DB07140
5987,5987,5987,"PEG-uricase, a polyethylene glycol (""PEG"") conjugate of recombinant porcine uricase (urate oxidase), which breaks down the uric acid deposits is being studied in Phase III clinical trials for the treatment of severe, treatment-refractory gout in the United States in 2006.",,,(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID,DB07608
5988,5988,5988,Not Available,[H][C@](N)(CCCCN)B(OCC)OCC,,Ibutilide,DB00850
5989,5989,5989,Not Available,CN1N=NC(=N1)C1=CC(C)=C(OCCCC2=CC(C)=NO2)C(C)=C1,,Sulfamethizole,DB07096
5990,5990,5990,Not Available,CSC1=NC2=C(N1)C(Br)=C(Br)C(Br)=C2Br,,Hexatantalum Dodecabromide,DB06954
5991,5991,5991,Not Available,CC(C)CCS[P@](O)(=O)OP(O)(O)=O,,"5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE",DB01150
5992,5992,5992,Lenalidomide is a thalidomide derivative used to treat multiple myeloma and anemia in low to intermediate risk myelodysplastic syndrome.,NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O,,Quazepam,DB00690
5993,5993,5993,Florbetaben F-18 is a radiopharmaceutical diagnostic agent used during Positron Emission Tomography (PET) imaging of the brain to estimate β-amyloid neuritic plaque density in adult patients to diagnose the causes of cognitive impairment.,CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1,,"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime",DB02475
5994,5994,5994,Not Available,[H][C@@]12C[C@]3(CC1=C)[C@@H](C(O)=O)[C@]1([H])[C@@]4(C)[C@@H](O)CC[C@@]1(OC4=O)[C@]3([H])CC2,,Venetoclax,DB09186
5995,5995,5995,Not Available,[H]\C(C)=C(/[H])C(=O)C(O)=O,,N-(2-Aminoethyl)-5-Chloroisoquinoline-8-Sulfonamide,DB01991
5996,5996,5996,Vandetanib is an antineoplastic kinase inhibitor used to treat symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease.,COC1=C(OCC2CCN(C)CC2)C=C2N=CN=C(NC3=C(F)C=C(Br)C=C3)C2=C1,,Aurothioglucose,DB01009
5997,5997,5997,Not Available,CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.CN1CCN(CC1)C(C)(C)C#CC1=C(NC(=O)C=C)C=C2C(NC3=CC=C(F)C(Cl)=C3)=NC=NC2=C1,,"N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE",DB07746
5998,5998,5998,Not Available,O=C(NC1=CC=CC=C1)C1=NNC=C1,,Lisocabtagene maraleucel,DB01298
5999,5999,5999,AZD-9684 is the first member of a new anti-thrombotic class (CPU inhibitors). It is being developed by AstraZeneca.,,,"(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE",DB07104
6000,6000,6000,Agkistrodon piscivorus antivenin is a mixture of antibodies used to treat venomous snake bites from the Crotalinae family (pit vipers).,,,"4-Methyl-5-[(2Z)-2-{[4-(4-morpholinyl)phenyl]imino}-2,5-dihydro-4-pyrimidinyl]-1,3-thiazol-2-amine",DB12831
6001,6001,6001,Rocuronium is a vecuronium analog used to facilitate tracheal intubation and to relax skeletal muscles during surgery.,[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1,,GC-24,DB02757
6002,6002,6002,Not Available,N#C\C(=C\NC1=CC=C(NC2=CC=CC=C2)C=C1)C1=NNN=N1,,"THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE)",DB04137
6003,6003,6003,Not Available,[H][C@]1(N)CCCCCCCCCCNC1=O,,Lauryldimethylbetaine,DB08583
6004,6004,6004,Not Available,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,,Moroctocog alfa,DB01597
6005,6005,6005,Guselkumab is a monoclonal antibody used to treat moderate to severe plaque psoriasis.,,EVQLVQSGAEVKKPGESLKISCKGSGYSFSNYWIGWVRQMPGKGLEWMGIIDPSNSYTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARWYYKPFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,N-oxo-2-(phenylsulfonylamino)ethanamide,DB08494
6006,6006,6006,"Olodaterol is a long-acting beta2-adrenergic agonist used in the management of chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema.",COC1=CC=C(CC(C)(C)NC[C@H](O)C2=C3OCC(=O)NC3=CC(O)=C2)C=C1,,Etesevimab,DB00208
6007,6007,6007,Methohexital is an anesthetic used to induce deep sedation.,CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O,,Tenocyclidine,DB08641
6008,6008,6008,Levosimendan is a calcium sensitizer indicated to treat acutely decompensated severe chronic heart failure.,C[C@@H]1CC(=O)NN=C1C1=CC=C(NN=C(C#N)C#N)C=C1,,"3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium",DB04821
6009,6009,6009,Not Available,OC(=O)C(=O)NC1=C(C=CC=C1)C(O)=O,,METHOXYUNDECYLPHOSPHINIC ACID,DB04541
6010,6010,6010,Fulvestrant is an estrogen receptor antagonist used to treat HR+ breast cancer that may also be HER2-.,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H],,"(R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)benzyl)guanidine",DB02999
6011,6011,6011,Not Available,,,Tenapanor,DB04797
6012,6012,6012,Ropinirole is a non-ergoline dopamine agonist used to treat the symptoms of Parkinson's disease and Restless Legs Syndrome.,CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1,,"[5-(5-Amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-6-hydroxy-3'-nitro-3-biphenylyl]acetic acid",DB08504
6013,6013,6013,Not Available,COC1=CC=C(C=C1NC1=NC=C(O1)C1=CC(=CC=C1)C1=CN=CC=C1)S(=O)(=O)NCC1CC1,,Dexamethasone acetate,DB02410
6014,6014,6014,Not Available,[H][C@](N)(CCCC)C=O,,D-Glutamine,DB08187
6015,6015,6015,Not Available,CC(=O)OC[C@H](N)C(O)=O,,p-Nitrophenylacetic acid,DB15218
6016,6016,6016,Not Available,[H][C@]1(CC2=CC=C(OCCCCC(=O)N[C@@]([H])(C(C)C)C(=O)N1)C=C2)C(O)=O,,Palivizumab,DB02745
6017,6017,6017,Brivudine is a drug used to treat herpes zoster.,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(\C=C\Br)C(=O)NC1=O,,CAP-1,DB04580
6018,6018,6018,Daclatasvir is a direct-acting antiviral agent used to treat specific hepatitis C virus (HCV) infections in combination with other antiviral agents.,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C,,NP-50301,DB00799
6019,6019,6019,Stanozolol is an anabolic steroid used to manage hereditary angioedema.,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C,,Mometasone,DB02189
6020,6020,6020,"Acrivastine is an antihistamine agent used for the symptomatic relief of seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion.",[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O,,3-Hydroxyimino Quinic Acid,DB03512
6021,6021,6021,"Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed)",C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,,Pimecrolimus,DB11120
6022,6022,6022,Not Available,CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O,,3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL,DB02081
6023,6023,6023,Ribostamycin is a broad spectrum aminoglycoside antibiotic on the list of WHO critical antimicrobials for human medicine.,[H][C@@]1(O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@H](CO)[C@@H](O)[C@H]1O,,Gallichrome,DB08286
6024,6024,6024,Not Available,[H][C@@](CC(C)C)(NC(=S)NC1=CC=CC=C1)C(=O)N[C@]1([H])CO[C@]([H])(O)C1,,Eprosartan,DB02207
6025,6025,6025,Not Available,[H]N(C(=O)[C@@H](C(O)=O)C1=CC=C(O)C=C1)C(OC)(C(O)=O)[C@@]1([H])OCC(=C)C(=N1)C(O)=O,,(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE,DB03923
6026,6026,6026,"Cardarine (GW-501516) is a peroxisome proliferator-activator receptor-delta agonist for the potential treatment of dyslipidemia. Cardarine has been investigated for the treatment of Obesity, Lipid Disorders, and Cardiovascular Disease.",CC1=C(CSC2=CC(C)=C(OCC(O)=O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F,,Venlafaxine,DB04256
6027,6027,6027,Not Available,COC[C@H](N(C)C)C(=O)O[C@@H]1C\C=C\C=C\C(=O)O[C@@H](C\C=C\[C@H](OC)C[C@H](C)C\C=C(C)\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)\C=C\N(C)C=O,,N-acetyl-D-glucosamine-6-phosphate,DB00592
6028,6028,6028,Not Available,C[C@]12O[C@H](C[C@]1(O)CO)N1C3=C(C=CC=C3)C3=C1C1=C(C4=C3C(=O)NC4)C3=CC=CC=C3N21,,Amylamine,DB01881
6029,6029,6029,Tacrine is an anticholinesterase drug used for the management of Alzheimer's disease symptoms.,NC1=C2CCCCC2=NC2=CC=CC=C12,,3'-deoxyguanosine,DB08935
6030,6030,6030,Not Available,CC1=NOC(=C1)C1=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,,Aetiocholanolone,DB01583
6031,6031,6031,Hydromorphone is an opioid analgesic used to treat moderate to severe pain when the use of an opioid is indicated.,[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])CCC2=O,,4-nitrophenyl-beta-D-galactoside,DB05678
6032,6032,6032,"Anastrozole is a competitive, selective, non-steroidal aromatase inhibitor used as adjuvant therapy for the treatment of hormone receptor-positive breast cancer in postmenopausal women.",CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N,,Triflupromazine,DB05530
6033,6033,6033,Not Available,CC1=C(CCO)C(=O)OC2=CC(O)=CC=C12,,CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE,DB03945
6034,6034,6034,Not Available,CC1=CC=NC2=C3N=CC=C(C)C3=CC=C12,,Bisacodyl,DB00957
6035,6035,6035,Not Available,CCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,Verdoheme,DB08404
6036,6036,6036,Not Available,OC(=O)CN1C(=O)C2=C(C(=CC3=CC=CC=C23)C(O)=O)S1(=O)=O,,2-Nonyl-4-quinolinol 1-oxide,DB00465
6037,6037,6037,Not Available,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],,Orciprenaline,DB02310
6038,6038,6038,Not Available,OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N1CCC(CC1)C1=CC=CC=C1,,Salsalate,DB02165
6039,6039,6039,Not Available,[H][C@]1(CCCCCCCCC(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)C[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])CC[C@]2(C)[C@@]1([H])O,,Urokinase,DB00741
6040,6040,6040,Not Available,[Li+].[Li+].[O-]C(=O)CCC([O-])=O,,Glycyl-L-a-Aminopimelyl-E-(D-2-Aminoethyl)Phosphonate,DB07738
6041,6041,6041,Not Available,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CC2=C(C=CN2)C=C1,,"9-Amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid",DB13150
6042,6042,6042,Not Available,CC1=CC(SC2=C(O)C[C@](CCC3=CC=C(O)C=C3)(OC2=O)C2CCCC2)=C(C=C1N)C(C)(C)C,,Butabarbital,DB11764
6043,6043,6043,"Cintredekin besudotox has been developed as a specific tumor-targeting agent, which is administered by positive-pressure convection-enhanced delivery (CED) directly to brain tissue at risk for residual infiltrating glioblastoma multiforme (GBM) after tumor resection. Cintredekin besudotox is made from a human protein, Interleukin 13 (IL13), linked to a bacterial toxin, Pseudomonas exotoxin (PE). The IL13 portion binds to receptors on the tumor.",,,Simvastatin,DB07993
6044,6044,6044,Not Available,C[C@@H](NC(=O)CCCP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O,,Phenothiazine,DB05552
6045,6045,6045,Ferrous gluconate is a medication used to treat iron-deficiency anemia.,[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O,,Icosapent,DB07757
6046,6046,6046,Not Available,CC(=O)NC1=CC=C(C=C1NC(N)N)C(O)=O,,3-Dehydroquinic Acid,DB01548
6047,6047,6047,An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen.,NC1=C(O)C=CC=C1C(O)=O,,Cinacalcet,DB03158
6048,6048,6048,Not Available,ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1,,Uridine-5'-Diphosphate,DB03894
6049,6049,6049,A histamine H2 agonist used clinically to test gastric secretory function.,NCCC1=CC=NN1,,Amperozide,DB08865
6050,6050,6050,Not Available,NC1=CC=CC=C1F,,PH-797804,DB16346
6051,6051,6051,"Hydrocortisone phosphate is a corticosteroid used to treat congenital adrenal hyperplasia, for emergency asthma treatment, hypersensitivity, and inflammation.",[H][C@@]12CC[C@](O)(C(=O)COP(O)(O)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Monogalactosyldiacylglycerol,DB04788
6052,6052,6052,Not Available,[H]N(CC1=C(O)C(C)=NC=C1COP(O)(O)=O)C1=CON([H])C1=O,,Disopyramide,DB12756
6053,6053,6053,"TTP889, an orally bioavailable selective inhibitor of the intrinsic coagulation pathway, is being developed as an anticoagulant for the treatment of thromboembolic disorders. TTP889 is the only known selective small molecule inhibitor of Factor IX, a key enzyme of the intrinsic pathway of the blood coagulation system. TTP889 has proven to be effective in preventing clot formation in several animal models of human disease, without any signs of the bleeding associated with traditional anticoagulants.",,,Thymidine,DB06845
6054,6054,6054,R450 is an alpha 1 antagonist that acts to tighten the muscle tone in the bladder. It is being considered for treatment of stress-related urinary incontinence. Phase IIa data for the drug show it reduced the number of incontinent episodes compared to placebo with minimal cardiovascular effects.,,,Rucaparib,DB08568
6055,6055,6055,Not Available,C(CCCN1C=CN=C1)CCN1C=CN=C1,,"N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine",DB08039
6056,6056,6056,"Tiapride is a dopamine D2 and D3 receptor antagonist indicated in the treatment of chorea in Huntington's disease, as well as agitation and anxiety in the elderly or with acute or chronic alcoholism.",CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O,,acetylleucyl-leucyl-norleucinal,DB03995
6057,6057,6057,Hydroxocobalamin is a synthetic form of vitamin B12 used to treat vitamin B12 associated disorders and cyanide poisoning.,[N+]1=2[Co-3]345([N+]6=C7[C@H]([C@@](CC(=O)N)(C)[C@@]6([C@@]6(N3C(=C(C)C3=[N+]4C(C(C)(C)[C@@H]3CCC(=O)N)=CC3=[N+]5C(=C7C)[C@@](CC(=O)N)([C@@H]3CCC(=O)N)C)[C@@](C)([C@H]6CC(=O)N)CCC(NC[C@@H](C)OP(=O)(O[C@@H]3[C@H](O[C@H](N(C4=CC(=C(C=C14)C)C)C=2)[C@@H]3O)CO)[O-])=O)[H])C)CCC(=O)N)O[H],,Alpha-Cyclodextrin (Cyclohexa-Amylose),DB07374
6058,6058,6058,"AGI-1067, is a novel small molecule with anti-oxidant and anti-inflammatory properties that was discovered by AtheroGenics and designed to treat atherosclerosis of the blood vessels of the heart, or coronary artery disease.",CC(C)(C)C1=CC(SC(C)(C)SC2=CC(=C(OC(=O)CCC(O)=O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,,(2S)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,DB06963
6059,6059,6059,Ciclopirox is a broad-spectrum topical antifungal agent used to treat mild to moderate onychomycosis of fingernails and toenails in immunocompetent patients.,CC1=CC(=O)N(O)C(=C1)C1CCCCC1,,"(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE",DB16690
6060,6060,6060,Not Available,[H]N([H])CC(=O)N([H])[C@@H](CCCCC(=O)N([H])[C@H](C)C(O)=O)C(O)=O,,"PMP-hydroxyisoxazole, pyridoxamine-5-phosphate-hydroxyisoxazole",DB01912
6061,6061,6061,Lysine is an amino acid commonly found as a component of total parenteral nutrition.,NCCCC[C@H](N)C(O)=O,,2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID,DB09100
6062,6062,6062,Histamine is an ingredient of topical drugs for the relief of joint pain or muscle aches and pains.,NCCC1=CNC=N1,,D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DB09552
6063,6063,6063,Not Available,COC1=CC=C(CC(C)N)C=C1,,2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline,DB06155
6064,6064,6064,Not Available,[H][C@](N)(CC(O)=O)C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,OMS-103HP,DB02603
6065,6065,6065,Not Available,[H]N1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](C)O2)C1=O,,"(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol",DB05264
6066,6066,6066,"Famotidine is a histamine H2 receptor antagonist used to treat duodenal ulcers, benign gastric ulcers, GERD, and Zollinger-Ellison syndrome.",NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,,Niacin,DB02532
6067,6067,6067,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)\C=C\C4=CC=C(C=C4)N(C)C)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Ethynodiol diacetate,DB07674
6068,6068,6068,Not Available,[H][C@]1(CO)O[C@]([H])(OC2=CC=CC(=C2)N(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,FG-2216,DB01870
6069,6069,6069,Ergoloid mesylate is a nootropic with an unknown mechanism of action indicated in individuals over sixty who manifest signs and symptoms of an idiopathic decline in mental capacity.,,,benzyl (2-oxopropyl)carbamate,DB07013
6070,6070,6070,Not Available,NCC1=CC=C(C=C1)C(=O)N1CCC2(CC1)NC1=CC=CC(F)=C1C(N)=N2,,"3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide",DB03104
6071,6071,6071,Not Available,NCCOP(O)(O)=O,,Testosterone propionate,DB12825
6072,6072,6072,Not Available,NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1,,Mavacamten,DB08224
6073,6073,6073,Not Available,CC(C)[C@@H](NC(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(F)(F)F,,MK-0354,DB07896
6074,6074,6074,"RI 624 is a novel humanized monoclonal antibody that blocks nerve growth factor (NGF), a key mediator of acute and chronic pain. RI 624 is being developed by Rinat and is currently in Phase I clinical trials.",,,Pefloxacin,DB02321
6075,6075,6075,N-Acetylmethionine is an amino acid used as a peritoneal dialysis treatment in patients with renal failure and nutritional therapy in patients with nutritional deficiency or post-infection weakness.,CSCC[C@H](NC(C)=O)C(O)=O,,1-Hexadecanosulfonyl-O-L-Serine,DB00962
6076,6076,6076,Phenylbutazone is an NSAID used to treat backache and ankylosing spondylitis.,CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,,"1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE",DB13872
6077,6077,6077,"Hydralazine is an antihypertensive agent used for the management of essential hypertension or severe hypertension associated with conditions requiring immediate action, heart failure, and pre-eclampsia or eclampsia .",NNC1=NN=CC2=CC=CC=C12,,"N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE",DB02494
6078,6078,6078,Not Available,CC(=O)N[C@H](CO)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,,Dopamine,DB04490
6079,6079,6079,Not Available,[H][C@@](O)(CN1C[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])CO)C([H])(CO)OS([O-])([O-])[O-],,Procyclidine,DB03132
6080,6080,6080,Not Available,COC1=CC=CC(C=O)=C1OP(O)(O)=O,,Ulocuplumab,DB04770
6081,6081,6081,Not Available,[H][C@](N)(CSCCC(=O)C1=CC=C(Cl)C(Cl)=C1)C(O)=O,,Ticagrelor,DB12470
6082,6082,6082,"Phenobarbital is a long-lasting barbiturate and anticonvulsant used in the treatment of all types of seizures, except for absent seizures.",CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1,,N-[(6-butoxynaphthalen-2-yl)sulfonyl]-L-glutamic acid,DB00011
6083,6083,6083,Alcaftadine is a H1 histamine receptor antagonist for ophthalmic use to prevent itching associated with allergic conjunctivitis.,CN1CCC(CC1)=C1C2=NC=C(C=O)N2CCC2=CC=CC=C12,,"N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE",DB08261
6084,6084,6084,Neflamapimod has been used in trials studying the treatment of Alzheimer's Disease and Mild Cognitive Impairment.,FC1=CC(F)=C(SC2=NN3C=NC(=O)C(=C3C=C2)C2=C(Cl)C=CC=C2Cl)C=C1,,Spectinomycin,DB06602
6085,6085,6085,Not Available,[H][C@](C)(CC1(C2=NNN=N2)C2=CC=C(C=C2CCC2=CC(=CC=C12)C(=O)N(C)C)C(=O)N(C)C)NCC(=O)N1CCC[C@@]1([H])C#N,,Binodenoson,DB07562
6086,6086,6086,Talviraline has been used in trials studying the treatment of HIV Infections.,[H][C@@]1(CSC)N(C(=O)OC(C)C)C2=C(NC1=S)C=CC(OC)=C2,,Bromhexine,DB15035
6087,6087,6087,Cycloleucine is non-metabolisable amino acid formed by cyclization of leucine. It is also a specific and reversible inhibitor of nucleic acid methylation and widely used in biochemical experiments.,NC1(CCCC1)C(O)=O,,4-Methylpiperazin-1-Yl Carbonyl Group,DB04566
6088,6088,6088,Not Available,COC1=CC=C(CNC(=O)NC2=NC=C(S2)[N+]([O-])=O)C=C1,,alpha-Tocopherol succinate,DB08169
6089,6089,6089,Not Available,FC1=CC(=CC=C1)C(=O)NC1=CC=CC(=C1)C1=NN=NN1,,2-Amino-6-Aminomethyl-8-Phenylsulfanylmethyl-3h-Quinazolin-4-One,DB11943
6090,6090,6090,Oxybenzone is a sunscreen agent found in sunscreens that absorbs UV rays.,COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1,,1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE,DB03821
6091,6091,6091,Camostat is a serine protease indicated in Japan to treat chronic pancreatitis.,CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1,,Ozanimod,DB02411
6092,6092,6092,Not Available,OC(=O)C(=O)CC([O-])=O,,Hydrocodone,DB07609
6093,6093,6093,Not Available,CC(C)(C)C1=NC2=NC(N)=C(C=C2C(NCCC2=CNC=N2)=N1)C(N)=O,,4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide,DB00607
6094,6094,6094,Not Available,N1C=NC=C1C1=CC=CC=C1,,"3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile",DB03896
6095,6095,6095,Phenytoin is an anticonvulsant drug used in the prophylaxis and control of various types of seizures.,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1,,"(2S)-2-Ammonio-3-[5-(2-methyl-2-propanyl)-3-oxido-1,2-oxazol-4-yl]propanoate",DB04855
6096,6096,6096,Not Available,[H]N([C@H]1[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)N([H])C2=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)(OP(O)(O)=O)C(O)=O)C(C)=O,,Nitrofural,DB00685
6097,6097,6097,Vestipitant has been investigated for the treatment of Tinnitus.,C[C@@H](N(C)C(=O)N1CCNC[C@@H]1C1=CC=C(F)C=C1C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,,3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE,DB00635
6098,6098,6098,Lumacaftor is a protein chaperone used in combination with ivacaftor for the treatment of cystic fibrosis in patients who are homozygous for the F508del mutation in the CFTR gene.,CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O,,ING-1,DB05773
6099,6099,6099,"Ziprasidone is an atypical antipsychotic used to manage schizophrenia, bipolar mania, and agitation in patients with schizophrenia.",ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1,,Ronacaleret,DB00447
6100,6100,6100,Not Available,[H][C@](N)(CCC(=O)N[C@@]([H])(CSC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C(=O)NCC(O)=O)C(O)=O,,"1-[3,3-Dimethyl-2-(2-Methylamino-Propionylamino)-Butyryl]-Pyrrolidine-2-Carboxylic Acid(1,2,3,4-Tetrahydro-Naphthalen-1-Yl)-Amide",DB07545
6101,6101,6101,Not Available,OS(=O)(=O)C=C,,Reslizumab,DB06886
6102,6102,6102,,CN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,Mesoxalic acid,DB13421
6103,6103,6103,Not Available,[H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=CC(=C2)C1=CC=C(O)C=C1,,"N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE",DB02188
6104,6104,6104,Ketamine is a rapid-acting general anesthetic and NMDA receptor antagonist used for induction of anesthesia diagnostic and surgical procedures typically in combination with a muscle relaxant.,CNC1(CCCCC1=O)C1=CC=CC=C1Cl,,"3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine",DB08237
6105,6105,6105,Not Available,[H][C@]12CN(CCN3NC4=C(C=CC=C4C3=O)C3=NC4=C(NC3=O)C=CC=C4O1)[C@]([H])(C)C2,,Xylitol,DB03576
6106,6106,6106,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,Elinogrel,DB00289
6107,6107,6107,Not Available,CN1CCN(CC1)NC(=O)NC1=CC=CC2=C1C(=O)C1=C(NN=C21)C1=C(C)N=C(C)S1,,Sakuranetin,DB01955
6108,6108,6108,Not Available,O[C@@H]1[C@@H](O)[C@@H](COC2=CC=CC=C2)N(CC2=CC=CC=C2)C(=O)N(CC2=CC=CC=C2)[C@@H]1COC1=CC=CC=C1,,"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE",DB00466
6109,6109,6109,Not Available,[H][C@@]1(SCC(=C)C(=N1)C(O)=O)[C@H](NC(=O)C(=N/OC)\C1=CSC(N)=N1)C=O,,"(2Z)-2-cyano-N-(2,2'-dichlorobiphenyl-4-yl)-3-hydroxybut-2-enamide",DB08303
6110,6110,6110,Not Available,[H][C@](N)(CSCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC1=CC=CC=C1)C(O)=O,,"1,4-dithio-beta-D-glucopyranose",DB00441
6111,6111,6111,Not Available,CC1=C[NH+]=C(NCC(F)(F)C2=[NH+]C=CC=C2)C(=O)N1CC(=O)NCC1=C(F)C(C)=CC=N1,,CRA_11092,DB00201
6112,6112,6112,Drotaverine is a phosphodiesterase-4 inhibitor used to alleviate gastrointestinal and genitourinary smooth muscle spasms.,CCOC1=C(OCC)C=C(\C=C2/NCCC3=CC(OCC)=C(OCC)C=C23)C=C1,,BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA,DB03971
6113,6113,6113,An adrenergic agonist that acts predominantly at alpha adrenergic receptors and also stimulates the release of norepinephrine. It has been used primarily as a vasoconstrictor in the treatment of hypotension.,C[C@H](N)[C@H](O)C1=CC(O)=CC=C1,,Trifluoromethionine,DB04960
6114,6114,6114,Not Available,CCCCCCCCCCCCCCCC=O,,Cetilistat,DB02935
6115,6115,6115,Not Available,CC1=NNC2=C1C(OC1=CC(=CC(=C1)C#N)C#N)=C(F)C=C2,,Lamivudine,DB03983
6116,6116,6116,Avanafil is a phosphodiesterase-5 (PDE5) inhibitor used to treat erectile dysfunction.,COC1=C(Cl)C=C(CNC2=C(C=NC(=N2)N2CCC[C@H]2CO)C(=O)NCC2=NC=CC=N2)C=C1,,DDP733,DB07820
6117,6117,6117,Not Available,OC[C@@H](O)CS,,"(S)-2-Amino-4-[(2s,3r)-2,3,5-Trihydroxy-4-Oxo-Pentyl]Mercapto-Butyric Acid",DB00132
6118,6118,6118,Terfenadine is an antihistamine for the treatment of allergy symptoms.,CC(C)(C)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,,"3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE",DB01975
6119,6119,6119,Isoleucine is an amino acid commonly found as a component of total parenteral nutrition.,CC[C@H](C)[C@H](N)C(O)=O,,Amuvatinib,DB04867
6120,6120,6120,Pentanal is a solid. This compound belongs to the polyamines. These are compounds containing more than one amine group. This drug targets the protein cAMP-dependent protein kinase catalytic subunit alpha.,CCCCC=O,,Bivalirudin,DB00892
6121,6121,6121,Not Available,CSC[S@](C)=O,,Estrone,DB09338
6122,6122,6122,Not Available,NC1=NC2=NN(N=C2C(O)=N1)C1=CC(=CC=C1)C(O)=O,,"(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",DB04503
6123,6123,6123,Not Available,[H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1,,Somatotropin,DB04876
6124,6124,6124,Secobarbital is a barbiturate used for the short-term treatment of insomnia.,CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-4-Yl]Hexyl]-Phenanthridinium",DB03880
6125,6125,6125,"Bifonazole is an azole antifungal drug used to treat fungal skin infections, such as dermatomycosis.",C1=CN(C=N1)C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1,,"4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide",DB07037
6126,6126,6126,Not Available,CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12,,Guaifenesin,DB01621
6127,6127,6127,Not Available,CC1=CC=C(C=C1)S(=O)(=O)NC1=C(SC(=C1)C1=CC=C(F)C=C1)C(O)=O,,6-Nitroindazole,DB07864
6128,6128,6128,Not Available,CN1C(=O)N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O,,Osilodrostat,DB02528
6129,6129,6129,FX06 is a naturally occurring peptide derived from the neo-N-terminus of fibrin (Bbeta(15-42)). It prevents leukocyte migration through the gap junctions of endothelial cells. FX06 has proven safe in acute and subchronic toxicological studies and recently entered clinical development. It is being developed by Fibrex Medical Inc.,,MKHLLLLLLCVFLVKSQGVNDNEEGFFS,LErafAON,DB07881
6130,6130,6130,Not Available,[H]N([H])C1=NC=C2N(C=NC2=N1)[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,"4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE",DB08671
6131,6131,6131,Not Available,N[C@@H](CC1=CONC1=O)C(O)=O,,Dorsomorphin,DB02710
6132,6132,6132,Not Available,C[C@H](O)C[NH3+],,Zotepine,DB06989
6133,6133,6133,Not Available,[H][C@@]12CCCC[N@]1CC(=O)C1=C2NC2=C1C=CC=C2,,Trimetrexate,DB02129
6134,6134,6134,Selatogrel is under investigation in clinical trial NCT03814200 (A Study to Investigate the Effect of Rifampicin on the Uptake and Breakdown of ACT-246475 in Healthy Subjects).,CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(O)(O)=O)NC(=O)C1=CC(=NC(=N1)C1=CC=CC=C1)N1CC[C@@H](C1)OC,,"3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID",DB00806
6135,6135,6135,Not Available,CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1,,Domperidone,DB02746
6136,6136,6136,Not Available,[H][C@@]1(C[C@]1(CC1=CC=C(OCC2=CC(C)=NC3=C2C=CC=C3)C=C1)C(=O)OC)C(=O)NO,,LGD-2226,DB00359
6137,6137,6137,Ramosetron is a selective 5-HT3 antagonist used as an antiemetic for chemotherapy- and postoperative-associated nausea and vomiting. It may also possess efficacy in irritable bowel syndrome.,CN1C=C(C(=O)[C@@H]2CCC3=C(C2)N=CN3)C2=C1C=CC=C2,,Guanidinoethylmercaptosuccinic acid,DB04018
6138,6138,6138,Not Available,[H][C@@](CC)(COC1=CC=CC=C1)O[P@](C)(Cl)=O,,Atoltivimab,DB00680
6139,6139,6139,"Daporinad has been used in trials studying the treatment of Melanoma, Cutaneous T-cell Lymphoma, and B-cell Chronic Lymphocytic Leukemia.",O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1,,"N,N-[2,5-O-dibenzyl-glucaryl]-DI-[valinyl-aminomethanyl-pyridine]",DB01178
6140,6140,6140,Not Available,OC(=O)CC1=C2NC(=O)C3=CC=CC=C3N2C2=C1C=CC=C2,,Voclosporin,DB08781
6141,6141,6141,Relugolix is an oral GnRH receptor antagonist for androgen deprivation therapy in the treatment of advanced prostate cancer.,CONC(=O)NC1=CC=C(C=C1)C1=C(CN(C)C)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C2=O)C1=CC=C(OC)N=N1,,"N-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-3-METHYLBUTANOYL)-2-(1-FORMYL-1-CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE",DB14543
6142,6142,6142,"Thrombomodulin Alfa is a novel, recombinant and soluble thrombomodulin (ART-123). It is a human protein with both thrombin inhibiting and protein C stimulating activities, for the potential treatment of thromboembolism and blood clotting disorders, such as disseminated intravascular thromboembolism. 5",,,"6-amino-2-[(1-naphthylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB03790
6143,6143,6143,Not Available,CCCC[N+](CCCC)(CCCC)CCCC,,Oxytetracycline,DB06977
6144,6144,6144,Bisacodyl is a stimulant laxative used for the temporary relief of occasional constipation and cleansing of the colon as a preparation for colonoscopy in adults.,CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1,,RU79072,DB03565
6145,6145,6145,Not Available,CCCCCCCCCCNC(=O)NC1CCCCC1,,YSIL6,DB04378
6146,6146,6146,A guanidinium antihypertensive agent that acts by blocking adrenergic transmission.,CN\C(NCC1=CC=CC=C1)=N/C,,ANA971,DB03944
6147,6147,6147,"QR-333 has been investigated as a treatment for diabetic peripheral neuropathy. QR-333 is a concentrated and standardized nutrient based active compounds dosed in a topical cream designed to reduce oxidative stress and treat symptoms of Diabetic Peripheral Neuropathy, a nerve disorder that can lead to numbness, skin ulcers, constant pain or extreme sensitivity to a stimulus.",,,Telcagepant,DB03704
6148,6148,6148,Not Available,CCN1N=CC=C1C1=CNC2=NC=C(C=C12)C1=CC(C(=O)N(C)C)=C(N)C=C1,,LX1031,DB01331
6149,6149,6149,Not Available,[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O,,Medical Cannabis,DB06494
6150,6150,6150,Not Available,[H][C@](N)(O)CC1=CNC2=CC=CC=C12,,Meropenem,DB08653
6151,6151,6151,Not Available,[H]N1C(=O)C=CN([C@H]2C[C@]([H])(F)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C1=O,,"(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE",DB15495
6152,6152,6152,Not Available,[H]N([C@@H](CC(C)C)C(=O)N([H])[C@@H](CC(C)C)C(=O)N([H])[C@@H](CC1=CC=C(O)C=C1)C(=O)CF)C(=O)OCC1=CC=CC=C1,,Potassium chloride,DB04221
6153,6153,6153,"Fluticasone is a corticosteroid indicated in the treatment of corticosteroid responsive dermatoses, asthma, and COPD.",[H][C@@]12C[C@@H](C)[C@](O)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,Kynurenic Acid,DB00532
6154,6154,6154,R1295 is an integrin antagonist currently in clinical trials for the treatment of rheumatoid arthritis. Integrins are associated to the pathology seen in some of the autoimmune diseases such as rheumatoid arthritis.,,,7-Aza-L-tryptophan,DB02312
6155,6155,6155,Not Available,NS(=O)(=O)C1=CC=C(F)C=C1,,Formycin,DB07052
6156,6156,6156,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C2[NH+]=CN=C3SP(O)(O)=O)[C@]([H])(O)[C@]1([H])O,,N-ETHYL-N-ISOPROPYL-3-METHYL-5-{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE,DB16321
6157,6157,6157,Not Available,[H][C@]1(COP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])([N+]3=CC=CC(=C3)C([S-])=N)[C@]([H])(O)[C@]2([H])O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,,Cytarabine,DB02809
6158,6158,6158,"Piritrexim has been used in trials studying the treatment of Bladder Cancer, Urethral Cancer, and Transitional Cell Cancer of the Renal Pelvis and Ureter.",COC1=CC(CC2=C(C)C3=C(N=C2)N=C(N)N=C3N)=C(OC)C=C1,,"4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",DB09102
6159,6159,6159,MB07803 is a second generation gluconeogenesis inhibitor for the treatment of type 2 diabetes. It is designed to block the metabolic pathway in the liver that is responsible for producing glucose.,CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C,,"(1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID",DB08548
6160,6160,6160,Malonaldehyde is the dialdehyde of malonic acid.,[H]C(=O)CC([H])=O,,4-(Dimethylamino)benzoic acid,DB08211
6161,6161,6161,Not Available,CCOC(=O)C1=CSC(=N1)N1CCN(CC1)C1=NC2=CC=CC=C2SC1,,5'-Guanosine-Diphosphate-Monothiophosphate,DB02828
6162,6162,6162,"GSK1059615 has been used in trials studying the treatment of Lymphoma, Solid Tumours, Endometrial Cancer, Solid Tumor Cancer, and Metastatic Breast Cancer.",O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1,,Sulfamethoxazole,DB01348
6163,6163,6163,Not Available,NC1=NC(CC2=C3C=CNC3=CC=C2Cl)=NC(NC2=CC=C(C=C2)C#N)=N1,,Alpha-Ribazole-5'-Phosphate Derivative,DB07263
6164,6164,6164,An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration (the antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine).,CNCC[C@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1,,N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-L-leucinamide,DB02094
6165,6165,6165,Not Available,OC1=CC=C(C=C1)C1=CC2=C(O1)C(CC#N)=CC(O)=C2,,(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide,DB04634
6166,6166,6166,Not Available,[H][C@](O)(OC)C1=CC=C(CN2[C@]([H])(COC3=CC=CC=C3)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(COC3=CC=CC=C3)N(CC3=CC=C(CO)C=C3)S2(=O)=O)C=C1,,Otamixaban,DB03268
6167,6167,6167,Not Available,[H][C@](N)(C1CCCC1)C(=O)N1[C@]([H])(CN)CC[C@]1([H])C#C,,Abacavir,DB03795
6168,6168,6168,Tenecteplase is a modified form of recombinant human tissue plasminogen activator used in the emergency treatment of myocardial infarction and pulmonary emboli.,,SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGNWSTAESGAECTNWQSSALAQKPYSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSSEFCSTPACSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAAAAASPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP,1-Amino-6-Cyclohex-3-Enylmethyloxypurine,DB00755
6169,6169,6169,Not Available,CC(C)C1=NCCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,,Ticlopidine,DB03676
6170,6170,6170,Not Available,[H][C@](NS(=O)(=O)C1=CC2=C(C=C1)C1=CC=CC=C1S2)(C(C)C)C(O)=O,,2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one,DB07745
6171,6171,6171,"A substance being studied in the treatment of some types of skin cancer. When put on the skin, resiquimod causes some immune cells to make certain chemicals that may help them kill tumor cells. It is also being studied to find out if adding it to a tumor vaccine improves the antitumor immune response. It is a type of imidazoquinoline and a type of immunomodulator.",CCOCC1=NC2=C(N)N=C3C=CC=CC3=C2N1CC(C)(C)O,,Leronlimab,DB14892
6172,6172,6172,Not Available,CC1=C2C=C3[C@@H](C(O)=C)C(C)=C4C=C5N6C(=CC7=C(CCC(O)=O)C(C)=C8C=C([C@@H]1C=C)N2[Fe@@]6(N34)N78)C(CCC(O)=O)=C5C,,AKI-001,DB04425
6173,6173,6173,Not Available,NNC(=O)C1=CN2C=CC3=C(C=CC=C3)C2=N1,,Lumateperone,DB11133
6174,6174,6174,Buclizine is an antihistamine and antiemetic drug for the treatment of allergy symptoms and prevention of nausea and vomiting.,CC(C)(C)C1=CC=C(CN2CCN(CC2)C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1,,Cobiprostone,DB02797
6175,6175,6175,Efpeglenatide is under investigation in clinical trial NCT03713684 (Efficacy and Safety of Efpeglenatide Versus Placebo in Patients With Type 2 Diabetes Mellitus Inadequately Controlled With Basal Insulin Alone or in Combination With Oral Antidiabetic Drug(s)).,,,CAD106,DB01990
6176,6176,6176,"A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.",C[C@@H](O)CO,,Ropinirole,DB00500
6177,6177,6177,Prazosin is an alpha-blocker that causes a decrease in total peripheral resistance and is used to treat hypertension.,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1,,Seliciclib,DB09209
6178,6178,6178,Not Available,[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1,,"2,4-Dinitrophenol",DB02198
6179,6179,6179,N-(2-Aminoethyl)-1-aziridineethanamine is an experimental ACE2 inhibitor for the treatment of cardiovascular disease and Severe Acute Respiratory Syndrome.,NCCNCCN1CC1,,Adagrasib,DB07148
6180,6180,6180,Lorlatinib is an anaplastic lymphoma kinase inhibitor used to treat anaplastic lymphoma kinase positive metastatic non small cell lung cancer.,C[C@H]1OC2=C(N)N=CC(=C2)C2=C(C#N)N(C)N=C2CN(C)C(=O)C2=C1C=C(F)C=C2,,Tropisetron,DB08695
6181,6181,6181,Pegfilgrastim is a recombinant human granulocyte colony stimulating factor used to stimulate the production of neutrophils and prevent febrile neutropenia or infections after myelosuppressive chemotherapy.,,MTPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWAPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQP,Myxopyronin B,DB11730
6182,6182,6182,Not Available,[H][C@@]1(O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)CO,,"7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine",DB16655
6183,6183,6183,Corticorelin ovine triflutate is a synthetic corticotropin-releasing hormone used for diagnostic purposes in differentiating pituitary and ectopic production of ACTH in patients with ACTH-dependent Cushing's syndrome.,,,3-(heptyloxy)benzoic acid,DB08041
6184,6184,6184,"Synthetic Conjugated Estrogens, A is a mixture of estrogens used to treat a variety of postmenopausal symptoms, including vaginal atrophy and dyspareunia.",,,Difluprednate,DB13048
6185,6185,6185,Guanidine is a strong organic base used to treat muscle weakness and fatigue associated with the myasthenic complications of Eaton-Lambert syndrome.,NC(N)=N,,Lefradafiban,DB16315
6186,6186,6186,CNS 5161 is a blocker of the NMDA ion channel and has completed Phase IIa proof of concept clinical trials as a novel compound for the treatment of neuropathic pain.,CSC1=CC(\N=C(/N)N(C)C2=CC(SC)=CC=C2)=C(Cl)C=C1,,Phenyl salicylate,DB01545
6187,6187,6187,"CX157,3-fluoro-7-(2,2,2,-trifluoroethoxy)phenoxathiin-10,10-dioxide, is a reversible, selective inhibitor of MAO-A designed to have improved oral bioavailability and reduced clearance compared to previous MAO-A inhibitors of this class.",,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide",DB06701
6188,6188,6188,Rifalazil is a derivative of the antibiotic rifamycin. It is being investigated by ActivBiotics for the treatment of various bacterial infections.,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1OC5=CC(=CC(O)=C5N=C1C4=C3C2=O)N1CCN(CC(C)C)CC1,,Tesevatinib,DB02174
6189,6189,6189,Not Available,CC1(C)OC[C@@H](COP(O)(=O)CCCCC=C)O1,,N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE,DB08444
6190,6190,6190,Not Available,CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O,,Fenebrutinib,DB08195
6191,6191,6191,"GMX1777 is a water-soluble prodrug of the cyanoguanidine compound GMX1778 with potential antineoplastic activity. In vivo, apoptosis inducer GMX1777 is rapidly converted into GMX1778 through hydrolytic cleavage of a carbonate ester bond. Although the exact mechanism of action has yet to be fully elucidated, GMX1778 appears to antagonize nuclear factor-kappa B (NF-kB) transcription, resulting in the induction of tumor cell apoptosis.",,,"N-cyclopropyl-N-(trans-4-pyridin-3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide",DB05403
6192,6192,6192,Not Available,OC(COC1=CC=CC(=C1)C1=CC=CC(=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,,Cefazolin,DB04713
6193,6193,6193,Quinine is an alkaloid used to treat uncomplicated Plasmodium falciparum malaria.,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12,,Temafloxacin,DB03259
6194,6194,6194,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-1-sulfonic acid,DB08260
6195,6195,6195,Not Available,OP(O)(=O)OC1=CC=CC=C1,,N-Cyclopentyl-N-Cyclobutylformamide,DB05706
6196,6196,6196,Evobrutinib is under investigation in clinical trial NCT03934502 (Effect of Meal Composition and Timing on Evobrutinib Bioavailability).,NC1=NC=NC(NCC2CCN(CC2)C(=O)C=C)=C1C1=CC=C(OC2=CC=CC=C2)C=C1,,"(4r)-2-Methylpentane-2,4-Diol",DB01378
6197,6197,6197,"Cimicoxib is a selective COX-2 inhibitor being developed by Affectis as a treatment for depression and schizophrenia. If approved, Cimicoxib would be the first drug in decades to treat depression by a new mechanism of action.",COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O,,AZD3409,DB12887
6198,6198,6198,Not Available,[H][C@@](O)(C1=CC=CC2=CC=CC=C12)P(O)(O)=O,,1-hydroperoxy-L-tryptophan,DB12622
6199,6199,6199,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN4C5=C(C=C(C)C(=C5)N(C)C)N=C5C(=O)N([H])C(=O)N=C45)[C@@H](O)[C@H]3O)C2=NC=N1,,8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide,DB01537
6200,6200,6200,Not Available,ONC(=O)\C=C\C1=CC=C(Cl)C=C1Cl,,"(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one",DB07232
6201,6201,6201,Chlortetracycline is the first tetracycline antibiotic most commonly used for veterinary purposes.,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O,,Canavanine,DB16261
6202,6202,6202,Lomustine is an alkylating agent used as a part of chemotherapeutic regimens for the treatment of primary and metastatic brain tumors as well as refractory or relapsed Hodgkin's disease in addition to surgical and/or radiotherapeutic treatments.,ClCCN(N=O)C(=O)NC1CCCCC1,,"(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE",DB07967
6203,6203,6203,Not Available,[H]C(=C([H])C(\CS(=O)=O)=C(\NC1=C(C=O)C=C2C=CC=CN12)C(O)=O)C(O)=N,,"Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",DB03623
6204,6204,6204,Not Available,COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,,(2S) N-acetyl-L-alanyl-αL-phenylalanyl-chloroethylketone,DB07250
6205,6205,6205,Not Available,OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O,,Josamycin,DB15093
6206,6206,6206,"Tolterodine is a muscarinic receptor antagonist used to treat overactive bladder with urinary incontinence, urgency, and frequency.",CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C,,Sulfamethazine,DB07748
6207,6207,6207,Not Available,CC1=CN(C(=O)NC1=O)[C@]12C[C@H]1[C@H](CO)[C@@H](O)C2,,Reglitazar,DB02901
6208,6208,6208,The 5-beta-reduced isomer of androsterone. Etiocholanolone is a major metabolite of testosterone and androstenedione in many mammalian species including humans. It is excreted in the urine. [PubChem],[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@]([H])(O)CC[C@]12C,,Carbidopa,DB02362
6209,6209,6209,Dulaglutide is a GLP-1 agonist used to manage type 2 diabetes mellitus.,,HGEGTFTSDVSSYLEEQAAKEFIAWLVKGGGGGGGSGGGGSGGGGSAESKYGPPCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,Sacituzumab govitecan,DB01747
6210,6210,6210,Not Available,[Cl-].CCNC1=CC2=[O+]C3=C(C=C(C)C(NCC)=C3)C(C3=CC=CC=C3C(=O)OCC)=C2C=C1C,,IC261,DB04138
6211,6211,6211,Not Available,CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl,,DODECANESULFONATE ION,DB07518
6212,6212,6212,Not Available,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,,2'-Deoxyguanosine-5'-Diphosphate,DB07033
6213,6213,6213,"Hydrocortisone is a glucocorticoid used to treat corticosteroid-responsive dermatoses, endocrine disorders, immune conditions, and allergic disorders.",[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Camostat,DB07443
6214,6214,6214,Benazepril is an ACE inhibitor prodrug used to treat hypertension.,[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC,,DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID,DB00978
6215,6215,6215,Not Available,[H][C@@]1(C)CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)C1=CC=C(C=C1)[C@](C)(O)C(F)(F)F,,4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine,DB07779
6216,6216,6216,Fezolinetant is a non-hormonal drug used to treat moderate to severe vasomotor symptoms due to menopause.,C[C@H]1N(CCN2C1=NN=C2C1=NC(C)=NS1)C(=O)C1=CC=C(F)C=C1,,Bicine,DB07354
6217,6217,6217,Not Available,[H][Sn](CCCC)(CCCC)CCCC,,"DIETHYL PROPANE-1,3-DIYLBISCARBAMATE",DB00489
6218,6218,6218,"Molsidomine is a long-acting vasodilator used to treat angina pectoris, including in association with left heart failure and acute myocardial infarction.",CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1,,"3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE",DB04860
6219,6219,6219,alpha-Tocopherol succinate is a form of vitamin E used to treat and prevent vitamin deficiencies.,[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@]1(C)CCC2=C(C)C(OC(=O)CCC(O)=O)=C(C)C(C)=C2O1,,2-Aminophenol,DB01656
6220,6220,6220,Apadenoson is a selective A2a adenosine receptor agonist designed for use as a pharmacologic stress agent in cardiac perfusion imaging studies. It is developed by Bristol-Myers Squibb and is in phase II of clinical trials.,CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N=C2N)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC,,Enzacamene,DB00753
6221,6221,6221,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCCNCS,,Isotretinoin,DB07681
6222,6222,6222,Not Available,CCCCCC1=CC=C(C=C1)C(=O)N(CC1=CC=C(C=C1)C1=CC=C(CC(=O)OC)C=C1)C1CCN(CC2=NC=CN2)CC1,,Bis-Benzamidine,DB08229
6223,6223,6223,Not Available,[Mg++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C([N-]1)\C([C@@H](C(=O)OC)C3=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,,N-(QUINOLIN-8-YL)METHANESULFONAMIDE,DB00009
6224,6224,6224,Not Available,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OC2CC(OC2CO)N2C=CC(N)=NC2=O)O1,,Ceritinib,DB01847
6225,6225,6225,Maltose is a sugar used as a sweetener and an inactive ingredient in drug products.,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,,Domoic Acid,DB02052
6226,6226,6226,"AT9283 is an aurora Kinase inhibitor developed by Astex Therapeutics for the treatment of cancer. It was discovered and developed internally using Astex’s fragment-based drug discovery platform, Pyramid.",OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1,,CRA-9334,DB03361
6227,6227,6227,"Asymmetric dimethylarginine (ADMA) is a naturally occurring chemical found in blood plasma. It is a metabolic by-product of continual protein modification processes in the cytoplasm of all human cells which is closely related to L-arginine, a conditionally-essential amino acid. ADMA interferes with L-arginine in the production of nitric oxide, a key chemical to endothelial and hence cardiovascular health.",N[C@@H](CCC\N=C(/N)N(C)C)C(O)=O,,3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID,DB08396
6228,6228,6228,Chlorzoxazone is a drug with muscle relaxant properties that is used as an adjunct to physical therapy and analgesics to treat stiffness and pain caused by a variety of musculoskeletal conditions.,ClC1=CC2=C(OC(=O)N2)C=C1,,Cytidine-5'-Monophosphate,DB07954
6229,6229,6229,"Alfentanil is an opioid agonist used to induce and maintain anesthesia, as well as an analgesic.",CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O,,"6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid",DB14538
6230,6230,6230,"Atropine is a muscarinic antagonist used to treat poisoning by muscarinic agents, including organophosphates and other drugs.",CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1,,Adenosine-5'-Monophosphate Glucopyranosyl-Monophosphate Ester,DB09216
6231,6231,6231,Etanercept is a protein therapy based on the binding fragment of the tumour necrosis factor alpha receptor used to treat severe rheumatoid arthritis and moderate to severe plaque psoriasis.,,LPAQVAFTPYAPEPGSTCRLREYYDQTAQMCCSKCSPGQHAKVFCTKTSDTVCDSCEDSTYTQLWNWVPECLSCGSRCSSDQVETQACTREQNRICTCRPGWYCALSKQEGCRLCAPLRKCRPGFGVARPGTETSDVVCKPCAPGTFSNTTSSTDICRPHQICNVVAIPGNASMDAVCTSTSPTRSMAPGAVHLPQPVSTRSQHTQPTPEPSTAPSTSFLLPMGPSPPAEGSTGDEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"3-(alpha-D-galactopyranosyloxy)-N-(3-{4-[3-({2-[(3-{4-[3-({[3-(hexopyranosyloxy)-5-nitrophenyl]carbonyl}amino)propyl]piperazin-1-yl}propyl)amino]-3,4-dioxocyclobut-1-en-1-yl}amino)propyl]piperazin-1-yl}propyl)-5-nitrobenzamide",DB06856
6232,6232,6232,Not Available,CCN1C2=CC=C(CNC)C=C2C2=C1C=CC=C2,,(2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide,DB16756
6233,6233,6233,Propyl Gallate is under investigation in clinical trial NCT01450098 (A Study of LY2484595 in Healthy Subjects).,CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,,"N,N-dimethylarginine",DB00757
6234,6234,6234,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O,,Methylamine,DB01439
6235,6235,6235,Not Available,C([C@H]1CN(CCN1)C1=NN=C(C2=CC3=CC=CC=C3C=C2)C(=C1)C1=CC=NC=C1)C1=CC=CC=C1,,PD173955,DB02109
6236,6236,6236,Insulin lispro is a modified form of fast-acting insulin used to control hyperglycemia in diabetes mellitus.,,GIVEQCCTSICSLYQLENYCN,Boldione,DB07306
6237,6237,6237,Not Available,NC1=NC=CC=C1NCC1=CC=CC(=C1)C1=CN=CC=C1,,"(2E,3S)-3-hydroxy-5'-[(4-hydroxypiperidin-1-yl)sulfonyl]-3-methyl-1,3-dihydro-2,3'-biindol-2'(1'H)-one",DB01868
6238,6238,6238,Not Available,COC1=CC=C2SCCN(CC2=C1)C(=O)CCN1CCC(CC2=CC=CC=C2)CC1,,Maltose,DB05505
6239,6239,6239,Not Available,[H][C@](N)(CSC(C)=O)C(O)=O,,"4-O-(4,6-Dideoxy-4-{[4,5,6-Trihydroxy-3-(Hydroxymethyl)Cyclohex-2-En-1-Yl]Amino}-Beta-D-Lyxo-Hexopyranosyl)-Alpha-D-Erythro-Hexopyranose",DB03150
6240,6240,6240,Thiamine is a vitamin used to correct vitamin B1 deficiency.,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,,5-fluoro-2'-deoxyuridine-5'-monophosphate,DB07747
6241,6241,6241,Not Available,N[C@@H](CC(C(O)=O)C(O)=O)C(O)=O,,(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE,DB01593
6242,6242,6242,Not Available,[H][C@@](CCSC)(NC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)NC(=O)CS)C(N)=O,,Methionine Phosphonate,DB06771
6243,6243,6243,"Penbutolol is a beta-adrenergic antagonist used for the management of mild to moderate arterial hypertension, alone or in combination with other antihypertensive agents.",CC(C)(C)NC[C@H](O)COC1=CC=CC=C1C1CCCC1,,Proline,DB03073
6244,6244,6244,Not Available,N[C@](CS(=O)(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)(C(=O)NO)C(F)(F)F,,1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID,DB02833
6245,6245,6245,"Pilocarpine is a muscarinic agonist used to treat dry mouth and various ophthalmic conditions, such as presbyopia, increased intraocular pressure, and angle-closure glaucoma.",CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O,,"[3,5-Dibromo-4-(4-Hydroxy-3-Phenethylcarbamoyl-Phenoxy)-Phenyl]-Acetic Acid",DB00785
6246,6246,6246,"Liotrix is a synthetically derived thyroid hormone replacement preparation. It consists of levothyroxine sodium (thyroxine, T4) and liothyronine sodium (triiodothyronine, T3) in a 4 to 1 ratio by weight. Liotrix was developed when it was believed that serum levels of both T4 and T3 were maintained by direct thyroidal secretion. It is now known that the thyroid gland secretes approximately ten times more T4 than T3 and that 80% of serum T3 is derived from deiodination of T4 in peripheral tissues. Administration of levothyroxine alone is sufficient for maintaining serum T4 and T3 levels in most patients and combination hormone replacement therapy generally offers no therapeutic advantage. In fact, administration of T3 may result in supratherapeutic levels of T3.",[Na+].[Na+].N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C([O-])=O.N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C([O-])=O,,Aleglitazar,DB04027
6247,6247,6247,Not Available,OC1=CC=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1O,,Ocriplasmin,DB07756
6248,6248,6248,Vinflunine is a vinca alkaloid used to treat advanced or metastatic transitional cell carcinoma of the urothelial tract after a platinum containing treatment has failed.,CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC,,Salicylic acid,DB03738
6249,6249,6249,Not Available,OC(=O)C1=C(O)C=C(O)C=C1,,"(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine",DB13967
6250,6250,6250,Not Available,FC1=CC=C(C=C1)N1C=CC=C(C(=O)NC2=CC=C(OC3=CC=NC4=C3C=CN4)C(F)=C2)C1=O,,"1,N6-Ethenoadenine",DB11596
6251,6251,6251,Not Available,NC(=O)C1=CN=CC(Br)=C1,,"5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE",DB07163
6252,6252,6252,Not Available,CN1C(=O)C(O)=C(O)C2=CC=CC=C12,,Phosphoaminophosphonic acid guanylate ester,DB06764
6253,6253,6253,Not Available,C[C@@](O)([C@H](CC(O)=O)C(O)=O)C(O)=O,,Sotagliflozin,DB11367
6254,6254,6254,Not Available,OC(=O)CCC(=O)C1=C(C=CC=C1)C(O)=O,,Remoxipride,DB02955
6255,6255,6255,"Omeprazole is a proton pump inhibitor used to treat GERD associated conditions such as heartburn and gastric acid hypersecretion, and to promote healing of tissue damage and ulcers caused by gastric acid and H. pylori infection.",COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C,,(3S)-1-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}pyrrolidine-3-thiol,DB00288
6256,6256,6256,Not Available,,,1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DB08783
6257,6257,6257,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)N([H])CCC4=CN([H])C5=C4C=C(Br)C=C5)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,3-hydroxyanthranilic acid,DB07160
6258,6258,6258,Not Available,CC(=O)NC1=CC=C(C=C1NC(=O)CO)C(O)=O,,"[{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate",DB05892
6259,6259,6259,"Cinitapride is a benzamide with gastroprokinetic and antiemetic properties typically used for the treatment of gastrointestinal motility disorders such as gastroesophageal reflux disease (GERD), non-ulcer dyspepsia, and delayed gastric emptying.",CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O,,IGN311,DB11278
6260,6260,6260,"rEV131 is in development for allergic rhinitis, asthma and several inflammatory eye diseases. It is a topically delivered small protein that acts as an anti-inflammatory agent.",,,Benzatropine,DB03558
6261,6261,6261,"Tetomilast has been used in trials studying the treatment of Crohn Disease, Colitis, Ulcerative, and Chronic Obstructive Pulmonary Disease.",CCOC1=C(OCC)C=C(C=C1)C1=NC(=CS1)C1=NC(=CC=C1)C(O)=O,,Nitroglycerin,DB03660
6262,6262,6262,Not Available,[H]N([H])C(=NCCC[C@H](N([H])C(=O)C1CCCC1)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],,5-Oxo-L-Norleucine,DB06862
6263,6263,6263,Not Available,OB(O)C1=CC2=C(S1)C=CC=C2,,Pyruvic acid,DB04162
6264,6264,6264,Not Available,[H][C@](O)(CCO)[C@]([H])(O)COP(O)(O)=O,,"(3,4,8b-Trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl) N-(2-ethylphenyl)carbamate",DB04638
6265,6265,6265,Not Available,CN(C1=CC=NN1C1=CC=CC=C1)S(=O)(=O)C1=CC=C(C)C=C1,,2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID,DB04777
6266,6266,6266,Not Available,[H]N1C=C(F)[C@H](O)N([H])C1=O,,CPG 10101,DB01793
6267,6267,6267,"Fluorouracil is a pyrimidine analog used to treat basal cell carcinomas, and as an injection in palliative cancer treatment.",FC1=CNC(=O)NC1=O,,2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate),DB00683
6268,6268,6268,Not Available,[H][C@@]12CC(F)(F)C[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1,,"2'-deoxyuridine 5'-alpha,beta-imido-diphosphate",DB01710
6269,6269,6269,Nicardipine is a calcium channel blocker used for the short-term treatment of hypertension and chronic stable angina.,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1,,SU9516,DB04073
6270,6270,6270,Ritodrine is an adrenergic beta agonist used to treat premature labor.,C[C@@H](NCCC1=CC=C(O)C=C1)[C@@H](O)C1=CC=C(O)C=C1,,"(S)-2-((S)-3-isobutyl-2,5-dioxo-4-quinolin-3-ylmethyl-[1,4]diazepan-1yl)-N-methyl-3-naphtalen-2-yl-propionamide",DB08398
6271,6271,6271,Canagliflozin is a sodium-glucose co-transporter 2 (SGLT2) inhibitor used to manage hyperglycemia in type 2 diabetes mellitus (DM). Also used to reduce the risk of major cardiovascular events in patients with established cardiovascular disease and type 2 DM.,[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(C)C(CC2=CC=C(S2)C2=CC=C(F)C=C2)=C1,,CTCE-0214,DB07301
6272,6272,6272,Eflornithine is an ornithine decarboxylase inhibitor used to prevent relapse of high-risk neuroblastoma in pediatric and adult patients,NCCCC(N)(C(F)F)C(O)=O,,5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate,DB05417
6273,6273,6273,Not Available,CC(C)NC[C@H](O)COC1=CC=CC2=C1C1=CC=CC=C1N2,,1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE,DB04811
6274,6274,6274,Not Available,[H][C@@]1(CN(CC2=CC=CC=C2)C(=O)CO1)C1=CC2=C(C=C1)N(C)S(=O)(=O)C2,,N-Hydroxy-4-phosphonobutanamide,DB04792
6275,6275,6275,Not Available,CCCCCCCCCCCC[N+](C)(C)[O-],,RU78300,DB08140
6276,6276,6276,Not Available,[H]N1C(=O)N(O)C(=O)[C@]11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,Emivirine,DB07452
6277,6277,6277,Adagrasib is a KRAS inhibitor indicated for the treatment of locally advanced or metastatic KRAS G12C-mutated non-small cell lung cancer in patients who have received at least one prior systemic therapy.,[H][C@@]1(COC2=NC3=C(CCN(C3)C3=CC=CC4=C3C(Cl)=CC=C4)C(=N2)N2CCN(C(=O)C(F)=C)[C@@]([H])(CC#N)C2)CCCN1C,,"2,4-DINITROPHENYL 2-DEOXY-2-FLUORO-BETA-D-MANNOPYRANOSIDE",DB03963
6278,6278,6278,"Matuzumab (formerly known as the experimental drug, EMD 72000) is a humanized monoclonal antibody used in cancer treatment. It has a high affinity for EGFR (epithelial growth factor receptor), frequently associated with the growth of blood vessels in malignancy, facilitating tumor growth and survival.",,QVQLVQSGAEVKKPGASVKVSCKASGYTFTSHWMHWVRQAPGQGLEWIGEFNPSNGRTNYNEKFKSKATMTVDTSTNTAYMELSSLRSEDTAVYYCASRDYDYDGRYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS,Insulin human,DB08867
6279,6279,6279,Not Available,[H]N([H])S(=O)(=O)C1=CC=C(C=C1)C(=O)N([H])C[C@@H](C)CN1C=CC2=CC=CC=C12,,"1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE",DB00547
6280,6280,6280,"Sodium stibogluconate is a medicine used to treat leishmaniasis and is only available for administration by injection. It belongs to the class of medicines known as the pentavalent antimonials. Sodium stibogluconate is sold in the UK as Pentostam (manufactured by GlaxoSmithKline). Widespread resistance has limited the utility of sodium stibogluconate, and in many parts of the world, amphotericin or miltefosine are used instead. It is also being investigated as an anti-tumor agent.",O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO,,Pemigatinib,DB05254
6281,6281,6281,Not Available,[H][C@@]1(CC2=C(CN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C=CC=C2)C(O)=O,,THYMIDINE-5'-THIOPHOSPHATE,DB02735
6282,6282,6282,"Methimazole is a thionamide antithyroid agent that inhibits the actions of thyroid peroxidase, leading to a reduction in thyroid hormone synthesis and amelioration of hyperthyroidism.",CN1C=CNC1=S,,Flotufolastat F-18,DB00541
6283,6283,6283,Not Available,[S-]CCC(=O)SCCC=O,,Lemborexant,DB03645
6284,6284,6284,Not Available,CCCCC[C@H](C)NC=O,,"2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide",DB01182
6285,6285,6285,Isosorbide dinitrate is a vasodilator used to treat angina in coronary artery disease.,[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O,,Phenserine,DB11601
6286,6286,6286,Not Available,[H][C@@]1(O)OC(C(O)=O)=C(O)[C@]([H])(O)[C@@]1([H])O,,"3,5-Diiodotyrosine",DB08083
6287,6287,6287,Palmitic Acid is a fatty used as a food additive and emollient or surfactant in cosmetics.,CCCCCCCCCCCCCCCC(O)=O,,Aminocaproic acid,DB03315
6288,6288,6288,Huperzine B is a novel acetylcholinesterase inhibitor.,[H][C@]12CCCN[C@]11CC(C)=C[C@H]2CC2=C1C=CC(=O)N2,,1-(5-phospho-D-ribosyl)-ATP,DB08555
6289,6289,6289,Not Available,NS(=O)(=O)C1=CC=C(NC(=O)C2=NNC3=C2C=CC=C3)C=C1,,"6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM",DB07787
6290,6290,6290,Dihydroergocristine is an ergot alkaloid used to delay progressive mental decline in conditions like Alzheimer's.,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)(O[C@@]21O)C(C)C,,"4,5-Dehydro-D-Glucuronic Acid",DB07020
6291,6291,6291,Not Available,[H][C@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)CCO,,Larotrectinib,DB00938
6292,6292,6292,Not Available,[H][C@]1(O)CN(CC2=CC=CS2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Glutethimide,DB08537
6293,6293,6293,Not Available,COP(O)(=S)OC,,(2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one,DB00576
6294,6294,6294,Tirbanibulin is a tyrosine kinase and tubulin inhibitor used to treat actinic keratosis on the face or scalp.,O=C(CC1=CC=C(C=N1)C1=CC=C(OCCN2CCOCC2)C=C1)NCC1=CC=CC=C1,,Salophen-10-carboxylate iron chelate,DB08883
6295,6295,6295,Not Available,CC(C)NCCCN1C(SC2=C(Br)C=C3OCOC3=C2)=NC2=C1N=CN=C2N,,Gantenerumab,DB16755
6296,6296,6296,Not Available,[H]N(CC(=O)C=O)C(=O)C1=CC(N(CCBr)CCBr)=C(C=C1[N+]([O-])=O)[N+]([O-])=O,,Ustekinumab,DB06711
6297,6297,6297,Not Available,[H][C@@](N)(C(=O)N1CCCC1)[C@]([H])(C)C1=NC(=NO1)C1=CC=C(C=C1)S(C)(=O)=O,,Nitroarginine,DB00348
6298,6298,6298,Levonorgestrel is a progestin found in oral and IUD contraceptives and at higher doses in emergency contraceptives.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,Rifabutin,DB01600
6299,6299,6299,Not Available,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC=CC=C1O,,"(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE",DB08564
6300,6300,6300,Not Available,NS(=O)(=O)C1=CC(F)=CC(F)=C1,,6-bromoindirubin-3'-oxime,DB09151
6301,6301,6301,Not Available,CN(C)C[C@H](O)CN1C2=CC=C(Br)C=C2C2=C1C=CC(Br)=C2,,Archexin,DB02115
6302,6302,6302,Not Available,CCC(=O)CCC(C)(C)O,,Pimelic Acid,DB03861
6303,6303,6303,Ancestim is a human stem cell factor used in combination with filgrastim during autologous peripheral blood progenitor cell (PBPC) transplantation to increase PBPC mobilization for improved collection.,,MEGICRNRVTNNVKDVTKLVANLPKDYMITLKYVPGMDVLPSHCWISEMVVQLSDSLTDLLDKFSNISEGLSNYSIIDKLVNIVDDLVECVKENSSKDLKKSFKSPEPRLFTPEEFFRIFNRSIDAFKDFVVASETSDCVVSSTLSPEKDSRVSVTKPFMLPPVA,Propyl acetate,DB06988
6304,6304,6304,Not Available,COC(=O)C1=C(O)C=CC=C1OC\C=C\C1=CC(C2=CC(=NO2)C(O)=O)=C(F)C=C1,,Mitemcinal,DB09082
6305,6305,6305,Not Available,NC1=NC=NC(NC2=CC=C(C=C2)S(N)(=O)=O)=C1,,D-Tryptophan,DB08125
6306,6306,6306,Not Available,CC(C)(C)C1=NC2=C3C=CNC(=O)C3=C3C=C(F)C=CC3=C2N1,,Zaleplon,DB03081
6307,6307,6307,Dexfosfoserine is an amino acid used for nutritional supplementation therapy in over-fatigue states.,N[C@@H](COP(O)(O)=O)C(O)=O,,"3-Hydroxymethyl-5-Aziridinyl-1methyl-2-[1h-Indole-4,7-Dione]-Propanol",DB06876
6308,6308,6308,Interferon beta-1b is a form of recombinant human interferon used to slow the progression of relapsing multiple sclerosis and to reduce the frequency of clinical symptoms.,,SYNLLGFLQRSSNFQSQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEMLQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHLKRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLRN,2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE,DB04758
6309,6309,6309,Not Available,[H]N([H])C(=O)C1=CC(=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)=C1)[N+]([O-])=O,,1-Deoxy-6-O-Phosphono-1-[(Phosphonomethyl)Amino]-L-Threo-Hexitol,DB12114
6310,6310,6310,Demeclocycline is a tetracycline antibiotic used to treat a wide variety of susceptible bacterial infections.,[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O,,"(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID",DB04619
6311,6311,6311,Not Available,,,"(5-Chloropyrazolo[1,5-a]Pyrimidin-7-Yl)-(4-Methanesulfonylphenyl)Amine",DB07888
6312,6312,6312,Ethosuximide is an anticonvulsant used to treat petit mal seizures.,CCC1(C)CC(=O)NC1=O,,"OCTANE-1,3,5,7-TETRACARBOXYLIC ACID",DB11324
6313,6313,6313,Contulakin-G is a broad spectrum non-opioid analgesic. It is the synthetic form of a natural peptide extracted from the venom of the Conus Geographus sea snail.,,,2-Thioethenamine,DB08674
6314,6314,6314,Gantenerumab is a fully human IgG1κ monoclonal antibody with specificity for amyloid-beta oligomers and fibrils under investigation for the treatment of Alzheimer's disease.,,,"N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine",DB07751
6315,6315,6315,Not Available,CC(C)NC[C@@H](O)COC1=CC=C(CC(N)=O)C=C1,,"1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID",DB07415
6316,6316,6316,Norelgestromin is a progestin used for the prevention of pregnancy in women who elect to use a transdermal patch as a method of contraception.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(C=C3CC[C@@]21[H])=NO,,"1-(4-Cyano-phenyl)-3-[2-(2,6-dichloro-phenyl)-1-imino-ethyl]-thiourea",DB07449
6317,6317,6317,Not Available,[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1,,"6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE",DB06718
6318,6318,6318,Not Available,CC1=CC(I)=C(O)C(=C1)C(=O)NC1=CC(Cl)=C(C=C1)C(N)=N,,4-S-Glutathionyl-5-pentyl-tetrahydro-furan-2-ol,DB06069
6319,6319,6319,Not Available,[H]N(CCCCC)C(=O)[C@H](CC1=CC=C(N(C(=O)C(O)=O)C2=CC=CC=C2C(O)=O)C2=CC=CC=C12)N([H])C(C)=O,,1-naphthaleneacetic acid,DB04489
6320,6320,6320,"Propantheline is an antimuscarinic agent used to treat urinary incontinence, hyperhidrosis, as well as cramps and spasms of the stomach, intestines, and bladder.",CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C,,Adenosine Phosphonoacetic Acid,DB03978
6321,6321,6321,Not Available,O=CCCCC=C(CCC=C(CCC=O)C=O)C=O,,N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide,DB08158
6322,6322,6322,Not Available,[Fe].CC(=O)N(O)CCC[C@@H]1NC(=O)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O,,Levacetylmethadol,DB08287
6323,6323,6323,Neostigmine is a cholinesterase inhibitor used in the symptomatic treatment of myasthenia gravis by improving muscle tone.,CN(C)C(=O)OC1=CC(=CC=C1)[N+](C)(C)C,,2-Pyridinethiol,DB07463
6324,6324,6324,Salmeterol is a long-acting beta-2 adrenergic receptor agonist used to treat asthma and COPD.,OCC1=C(O)C=CC(=C1)C(O)CNCCCCCCOCCCCC1=CC=CC=C1,,Follitropin,DB01603
6325,6325,6325,Peldesine is a potent inhibitor of human CCRF-CEM T-cell proliferation. It has undergone phase I trials for the treatment of Human Immunodeficiency Virus (HIV) infections.,NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2,,Fotemustine,DB00737
6326,6326,6326,Not Available,[H][C@@](CC1=CC=CC=C1)(NC(=O)[C@]([H])(CC(C)C)NC(C)=O)C=O,,AV608,DB08259
6327,6327,6327,"Esmolol is a cardioselective beta-adrenergic blocker used for the short-term control of ventricular rate and heart rate in various types of tachycardia, including perioperative tachycardia and hypertension.",COC(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1,,Pascolizumab,DB05478
6328,6328,6328,"An amino alcohol with a long unsaturated hydrocarbon chain. Sphingosine and its derivative sphinganine are the major bases of the sphingolipids in mammals. (Dorland, 28th ed)",[H]\C(CCCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)[C@@]([H])(N)CO,,5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE,DB07986
6329,6329,6329,Not Available,O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1,,N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA,DB12095
6330,6330,6330,Not Available,[H][C@@]12C[C@@]3([H])C[C@@](C1)(C[C@@]([H])(C2)[C@@]3([H])NC(=O)C(C)(C)OC1=CC=C(OC)C=C1)C(N)=O,,Tricosanoic acid,DB01227
6331,6331,6331,"A synthetic fluoroquinolone (FLUOROQUINOLONES) antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.",C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O,,Vedolizumab,DB03189
6332,6332,6332,Not Available,[H][C@]12O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N=C(CCC)S2,,S-P-Nitrobenzyloxycarbonylglutathione,DB04169
6333,6333,6333,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(S[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]6([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,Nesbuvir,DB09228
6334,6334,6334,Not Available,OCCCOC1=CC=C(C=C1)[N+]([O-])=O,,Cyproheptadine,DB07272
6335,6335,6335,Not Available,N\C(NO)=N/CCC[NH3+],,Norfloxacin,DB03106
6336,6336,6336,Not Available,CC1(C)N=C(N)N=C(N)N1OCCCOC1=CC(Cl)=C(Cl)C=C1Cl,,"4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine",DB07503
6337,6337,6337,Not Available,O[C@H]1C[C@@H](O)[C@H](O)[C@@H](COP(O)(O)=O)O1,,"(S)-propane-1,2-diol",DB08074
6338,6338,6338,Natalizumab is a monoclonal anti-integrin antibody used to treat Crohn's disease or multiple sclerosis.,,QVQLVQSGAEVKKPGASVKVSCKASGFNIKDTYIHWVRQAPGQRLEWMGRIDPANGYTKYDPKFQGRVTITADTSASTAYMELSSLRSEDTAVYYCAREGYYGNYGVYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPSCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,PF-00356231,DB08465
6339,6339,6339,Not Available,[H][C@@]1(C)CCC2=C(C1)C(C(=O)N(CC)CC)=C(NC(=O)C1=CC=CS1)S2,,2-Methoxy-6-{(E)-[(4-methylphenyl)imino]methyl}phenol,DB09101
6340,6340,6340,"PAC-1 has been used in trials studying the treatment of Lymphoma, Melanoma, Solid Tumors, Breast Cancer, and Thoracic Cancers, among others.",OC1=C(\C=N\NC(=O)CN2CCN(CC3=CC=CC=C3)CC2)C=CC=C1CC=C,,"(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID",DB02561
6341,6341,6341,Not Available,CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2,,Lixisenatide,DB12965
6342,6342,6342,Not Available,CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,,Vintafolide,DB02182
6343,6343,6343,Not Available,CN(CCN(C)C1=CC=C(C2=NON=C12)[N+]([O-])=O)C(C)=O,,Desmethylsertraline,DB05239
6344,6344,6344,Nimesulide is a cyclooxygenase 2 inhibitor used to treat acute pain and primary dysmenorrhea.,CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O,,Sulfamoxole,DB03484
6345,6345,6345,"Developed by Takeda Pharmaceuticals in the early 1980s, it is considered the prototypical compound for the thiazolidinedione class.",CC1(COC2=CC=C(CC3SC(=O)NC3=O)C=C2)CCCCC1,,Medroxyprogesterone acetate,DB08276
6346,6346,6346,"A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).",CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,,Daratumumab,DB14642
6347,6347,6347,"Talniflumate, is an anti-inflammatory molecule studied and used as a mucin regulator in the treatment of cystic fibrosis, chronic obstructive pulmonary disease (COPD) and asthma 5. In addition, it is used in inflammatory conditions such as rheumatoid arthritis. Phase I trials with talniflumate for the treatment of cystic fibrosis and COPD were completed in August 2001, and phase II trials were performed in Ireland for the treatment of cystic fibrosis but this research has now been discontinued 7,10. Talniflumate has been approved for approximately 20 years in Argentina other countries (excluding the United States, Europe, and Japan) 10.",FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OC2OC(=O)C3=CC=CC=C23)=CC=C1,,MIV-711,DB07378
6348,6348,6348,"Ofloxacin is an antibacterial agent used for the treatment of bacterial infections in many parts of the body, including the respiratory tract, kidney, skin, soft tissue, and urinary tract.",CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1,,"Bishydroxy[2h-1-Benzopyran-2-One,1,2-Benzopyrone]",DB03611
6349,6349,6349,Not Available,CC1=C2C(=O)N(C(=O)C2=CC=C1)C1=CC=NC(Cl)=C1,,Glutaric Acid,DB03130
6350,6350,6350,Susoctocog alfa is a recombinant Factor VIII used to treat and prevent bleeding in hemophilia A.,,,"(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol",DB00928
6351,6351,6351,Not Available,CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C,,Cromoglicic acid,DB14514
6352,6352,6352,Not Available,ClC1=CC=C(C=C1)C1=NN\C(SC1)=N\CCC=C,,Menadione,DB05864
6353,6353,6353,Dobutamine is a beta-1 agonist used to treat cardiac decompensation in patients with organic heart disease or from cardiac surgery.,CC(CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=C1,,Voriconazole,DB15765
6354,6354,6354,A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from glutamic acid and ammonia. It is the principal carrier of nitrogen in the body and is an important energy source for many cells.,N[C@H](CCC(N)=O)C(O)=O,,"3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE",DB08523
6355,6355,6355,Not Available,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=C3C=CC=CC3=C2)C(O)=C1Br,,Desvancosaminyl vancomycin,DB03924
6356,6356,6356,Equine Botulinum Neurotoxin C Immune FAB2 is a mixture of antibodies used to treat documented or suspected botulinum toxin exposure.,,,Cerulenin,DB02092
6357,6357,6357,"A ketotriose compound. Its addition to blood preservation solutions results in better maintenance of 2,3-diphosphoglycerate levels during storage. It is readily phosphorylated to dihydroxyacetone phosphate by triokinase in erythrocytes. In combination with naphthoquinones it acts as a sunscreening agent. [PubChem]",OCC(=O)CO,,Alogliptin,DB08130
6358,6358,6358,Not Available,[H]N([H])[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](CC(C)C)C(O)=O,,Pagoclone,DB05284
6359,6359,6359,Not Available,N1N=C(C2=C1C=CC=C2)C1=CC=NC=C1,,Bacitracin,DB07860
6360,6360,6360,Not Available,[H][C@]1(N=C(N(C(=O)N2CCN(CCO)CC2)[C@]1([H])C1=CC=C(Br)C=C1)C1=C(OCC)C=C(OC)C=C1)C1=CC=C(Br)C=C1,,Levobunolol,DB11718
6361,6361,6361,Potent reversible inhibitor of phenylethanolamine N-methyltransferase.,ClC1=CC=C2CCNCC2=C1Cl,,"2,3,4,5,6-Pentafluorobenzyl Alcohol",DB12612
6362,6362,6362,Prucalopride is a 5-HT4 receptor agonist indicated to treat adults with chronic idiopathic constipation.,COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1,,Diazepam,DB04661
6363,6363,6363,Antrafenine is a piperazine derivative drug that acts as an analgesic and anti-inflammatory drug with similar efficacy to naproxen. It is not widely used as it has largely been replaced by newer drugs.,FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1,,3'-THIO-THYMIDINE-5'-PHOSPHATE,DB02962
6364,6364,6364,Not Available,[H][C@]1(CCCC)CC[S@](=O)C1,,"4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE",DB07066
6365,6365,6365,"A synthetic nonapeptide comprising cysteinyl, phenylalanyl, phenylalanyl, glutaminyl, asparaginyl, cysteinyl, prolyl, lysyl, and glycinamide residues in sequence, with a disulfide bridge joining the two cysteine residues. Its antidiuretic effects are less than those of vasopressin. It is a non-catecholamine vasoconstrictor used in local anaesthetic injections for dental use, and is an ingredient of preparations that have been used for treatment of pain and inflammation of the mouth.",,,2-Hydroxyquinoline,DB00402
6366,6366,6366,Edrophonium is a cholinesterase inhibitor used to diagnose and evaluate myasthenia gravis.,CC[N+](C)(C)C1=CC(O)=CC=C1,,Tislelizumab,DB03392
6367,6367,6367,Not Available,OC(=O)CN1C(=O)N(CC2=C(F)C=C(Br)C=C2)C(=O)C2=C1C=C(Cl)C=C2,,Bimoclomol,DB05252
6368,6368,6368,Artesunate is artesunate is an artemesinin derivative indicated for the initial treatment of severe malaria.,[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4,,4-[4-(1-Amino-1-Methylethyl)Phenyl]-5-Chloro-N-[4-(2-Morpholin-4-Ylethyl)Phenyl]Pyrimidin-2-Amine,DB01488
6369,6369,6369,Not Available,[H][C@@](CC1=CC(=CC=C1OC)[N+]([O-])=O)(C1=CNC(N)=N1)C1=CC=C(OC)C(F)=C1,,4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN,DB01835
6370,6370,6370,Elexacaftor is a small molecule CFTR corrector used in combination with tezacaftor and ivacaftor for the treatment of cystic fibrosis patients with one F508del-CFTR mutation.,C[C@@H]1CN(C2=NC(=CC=C2C(=O)NS(=O)(=O)C2=CN(C)N=C2C)N2C=CC(OCC(C)(C)C(F)(F)F)=N2)C(C)(C)C1,,Brexucabtagene autoleucel,DB03566
6371,6371,6371,Not Available,[H]N(P(O)(O)=O)P(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)N([H])C1=O,,CRA_23653,DB02028
6372,6372,6372,Not Available,OC[C@@H](O)CCONC1=C(NC2=CC=CC=C12)C1=C2C=CC=CC2=NC1=O,,2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE,DB01683
6373,6373,6373,JNJ-37822681 has been used in trials studying the treatment of Schizophrenia.,FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1,,5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]-6-METHYL-4-(3-METHYLBENZYL)PYRIDIN-2(1H)-ONE,DB07092
6374,6374,6374,Not Available,[H][C@@](NC(=O)CC1=CC=CS1)(B(O)O)C1=CC(=CC=C1)C(O)=O,,Ethotoin,DB11157
6375,6375,6375,Not Available,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CCC3CCCC3)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Mozenavir,DB08795
6376,6376,6376,Fimasartan is an angiotensin II receptor antagonist (ARB) used to treat hypertension and heart failure.,CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1,,Guanosine-5'-Monophosphate,DB04401
6377,6377,6377,Rupintrivir is a rhinovirus 3C protease inhibitor in development for use against human rhinoviral (HRV) infections. Rupintrivir was active against all 48 HRV serotypes tested in a cell protection assay in H1-HeLa cells. It is designed to combat colds caused by rhinovirus.,CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](C(C)C)NC(=O)C1=NOC(C)=C1)CC1=CC=C(F)C=C1,,"N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine",DB03253
6378,6378,6378,Not Available,CC(C)C1=C(OC2CCCCC2)C2=CC(Cl)=CC=C2NC1=O,,Tirbanibulin,DB07010
6379,6379,6379,Trimebutine is a spasmolytic agent used for the symptomatic treatment of irritable bowel syndrome (IBS) and treatment of postoperative paralytic ileus following abdominal surgery.,CCC(COC(=O)C1=CC(OC)=C(OC)C(OC)=C1)(N(C)C)C1=CC=CC=C1,,N7-Methyl-Formycin A,DB15071
6380,6380,6380,Not Available,NC(N)=NCC(O)=O,,Epinephrine,DB06371
6381,6381,6381,Not Available,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1,,2-Benzyl-3-Iodopropanoic Acid,DB06174
6382,6382,6382,Not Available,COC1=C(OC)C(OC)=C(Cl)C(CC2=NC3=C(N)N=C(F)N=C3N2CCCC#C)=C1,,Sulfinpyrazone,DB11951
6383,6383,6383,Terazosin is an alpha-1 adrenergic antagonist used in the treatment of symptomatic benign prostatic hyperplasia and management of hypertension.,COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1CCCO1,,Adamantane,DB08218
6384,6384,6384,Not Available,[H][C@](N)(CC1=CC(Br)=C(O)C(Br)=C1)C(O)=O,,Vincristine,DB12651
6385,6385,6385,"Gemeprost is a prostaglandin E1 analogue used for cervical dilation and, in combination with mifepristone, for pregnancy termination.",CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(=O)OC,,Protein S human,DB14910
6386,6386,6386,Voclosporin is a calcineurin inhibitor for the treatment of lupus nephritis (LN) in patients diagnosed with systemic lupus erythematosus (SLE).,[H][C@@]1([C@H](O)[C@H](C)C\C=C\C=C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C,,"N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide",DB06910
6387,6387,6387,Not Available,[H][C@]1(S)O[C@]([H])(CO)[C@@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(S[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,"4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE",DB06247
6388,6388,6388,Chloramphenicol is a broad spectrum antibiotic that is effective against a variety of susceptible and serious bacterial infections but is not frequently used because of its high risk of bone marrow toxicity.,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O,,Flavin mononucleotide,DB06444
6389,6389,6389,Atibuclimab (IC14) is a chimeric CD14 antibody investigated for the treatment of patients with severe sepsis.,,,"(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE",DB09080
6390,6390,6390,Not Available,COC1=CC=C(CC(N)=O)C=C1,,Eribulin,DB03078
6391,6391,6391,"Tetryzoline is an alpha-adrenergic agonist used in the temporary symptomatic relief of discomfort and redness of the eyes due to minor irritations, as well as alleviate nasal congestion.",C1CN=C(N1)C1CCCC2=CC=CC=C12,,Zavegepant,DB03492
6392,6392,6392,Glecaprevir is a Hepatitis C NS3/4A protease inhibitor used to treat Hepatitis C.,[H][C@@]12CN(C(=O)[C@@]([H])(NC(=O)O[C@]3([H])CCC[C@@]3([H])OC\C=C\C(F)(F)C3=NC4=C(C=CC=C4)N=C3O1)C(C)(C)C)[C@@]([H])(C2)C(=O)N[C@@]1(C[C@H]1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1,,"2s,4r-4-Methylglutamate",DB07210
6393,6393,6393,Not Available,CCS(=O)(=O)N[C@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Mesoridazine,DB00167
6394,6394,6394,Not Available,[H][P@](O)(=O)CNC(=O)CC1=CC=C(I)C=C1,,(R)-N-(1-Methyl-Hexyl)-Formamide,DB03308
6395,6395,6395,Not Available,N[C@H](COP(O)(O)=O)CC1=CNC=N1,,(S)-iclaprim,DB02861
6396,6396,6396,R-95845 is an inhibitor of HIV-1 reverse transcriptase.,CC(=O)C1=C(N[C@H](C(N)=O)C2=C(Br)C=CC=C2Br)C=C(C)C=C1,,Androstenedione,DB07270
6397,6397,6397,Not Available,CC1=CC(Br)=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+],,Chloramphenicol succinate,DB12637
6398,6398,6398,Not Available,[H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=CC=C2C=CC=CC2=C1,,Oxibendazole,DB02949
6399,6399,6399,Not Available,NC(=O)NCC1=CC(=CC=C1)C1=C(O)C(=CC=C1)C1=CC2=C(N1)C=CN=C2,,"(10E,12Z)-octadecadienoic acid",DB09241
6400,6400,6400,Not Available,[H][C@](N)(C1CC1)C(=O)N1CC(=C[C@@]1([H])C1=CC=CC=C1)C1=CC(F)=CC=C1F,,Toripalimab,DB00800
6401,6401,6401,Not Available,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=C(S2)C=CC(Cl)=C3)C1=O)C(=O)N1CCOCC1,,"(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE",DB01599
6402,6402,6402,Not Available,[H][C@@](N)(C(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCCC,,(1H-indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid,DB05203
6403,6403,6403,"Filaminast is a phosphodiesterase 4 inhibitor (PDE4 inhibitor). As such, has potential in the treatment of asthma and chronic obstructive pulmonary disease (COPD).",COC1=CC=C(C=C1OC1CCCC1)C(\C)=N\OC(N)=O,,Etidronic acid,DB04520
6404,6404,6404,Not Available,N[C@@H](C\N=C(/N)NO)C(O)=O,,Azithromycin,DB04600
6405,6405,6405,Rimexolone is a glucocorticoid used to treat inflammation of the eye.,[H][C@@]12C[C@@H](C)[C@](C)(C(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,"Sulfamic Acid 2,3-O-(1-Methylethylidene)-4,5-O-Sulfonyl-Beta-Fructopyranose Ester",DB02830
6406,6406,6406,"Pipotiazine is an antipsychotic indicated for the management of chronic, non-agitated schizophrenic patients.",CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCC(CCO)CC2)C=C1,,Elaidamide,DB09327
6407,6407,6407,SSR-126517E is a second generation synthetic pentasaccharide that binds antithrombin with such high affinity that it assumes a plasma half-life of 80 hours.,,,Levobupivacaine,DB02821
6408,6408,6408,Not Available,OC1(CCN(CCCC2(SCCS2)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1,,Carboxymycobactin T,DB01262
6409,6409,6409,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN(C)C3=C2N([H])C(=NC3=O)N([H])[H])[C@@H](O)[C@H]1O,,"Quinonoid 7,8-Tetrahydrobiopterin",DB02660
6410,6410,6410,Not Available,OC(=O)CCCC(=O)NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1,,Piclidenoson,DB04090
6411,6411,6411,"Citrulline is an amino acid. It is made from ornithine and carbamoyl phosphate in one of the central reactions in the urea cycle. It is also produced from arginine as a by-product of the reaction catalyzed by NOS family. Its name is derived from citrullus, the Latin word for watermelon, from which it was first isolated.",N[C@@H](CCCNC(N)=O)C(O)=O,,"2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE",DB01223
6412,6412,6412,Not Available,COC1=CC=CC=C1C1=CNC2=C1C=C(C=N2)C1=CC(=CN=C1)C(=O)N(C)C,,Loracarbef,DB00642
6413,6413,6413,Menthol is an organic compound used to treat mild to moderate muscle and joint pain.,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,,Interferon alfa-n3,DB04418
6414,6414,6414,"A powerful synthetic, non-steroidal estrogen. [PubChem]",COC1=CC=C(C=C1)C(Cl)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1,,Methacrylyl-Coenzyme A,DB15494
6415,6415,6415,Not Available,[H][C@](C)(N1CC[C@](C)(C1=O)C1=CC=C(OCC2=CC(C)=NC3=CC=CC=C23)C=C1)C(=O)NO,,Midazolam,DB08362
6416,6416,6416,Fosnetupitant is a medication used in combination with others to prevent chemotherapy associated nausea and vomiting.,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CC[N+](C)(COP(O)([O-])=O)CC1,,Bufexamac,DB06958
6417,6417,6417,Not Available,S[Mo](=O)=O,,Insulin degludec,DB04678
6418,6418,6418,Not Available,[H][C@@]1(C[C@@]1([H])C1=C(F)C=CC(C(=O)CC)=C1O)NC(=O)NC1=NC=C(Br)C=C1,,"3,4-Epoxybutyl-Alpha-D-Glucopyranoside",DB01718
6419,6419,6419,Diclofenac is an NSAID used to treat the signs and symptoms of osteoarthritis and rheumatoid arthritis.,OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl,,Phenol,DB07604
6420,6420,6420,Chlorprothixene is a thioxanthene antipsychotic.,CN(C)CC\C=C1\C2=CC=CC=C2SC2=CC=C(Cl)C=C12,,"2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",DB07899
6421,6421,6421,Not Available,[H][C@](C(C)C)(C1=CC=C(Br)C=C1)C1=C(O)C2=C(OC1=O)C=CC=C2,,Abciximab,DB02426
6422,6422,6422,Potassium chloride is a potassium salt used to treat hypokalemia.,[Cl-].[K+],,Apixaban,DB06525
6423,6423,6423,Not Available,CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1,,Trifluoro-thiamin phosphate,DB01265
6424,6424,6424,Not Available,[H]N([H])C(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,"2,5-di-tert-butylhydroquinone",DB02611
6425,6425,6425,Afatinib is an antineoplastic agent used for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) with non-resistant EGFR mutations or resistance to platinum-based chemotherapy.,CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1,,Serine-3'-aminoadenosine,DB02911
6426,6426,6426,Olodanrigan is under investigation in clinical trial NCT03297294 (Safety and Efficacy of EMA401 in Patients With Painful Diabetic Neuropathy (PDN)).,COC1=CC=C2CN([C@@H](CC2=C1OCC1=CC=CC=C1)C(O)=O)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1,,Selenazole-4-carboxyamide-adenine dinucleotide,DB00864
6427,6427,6427,Not Available,[H][C@](CC)(C(O)=O)[C@]([H])(NS(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,,"4-Bromo-2,5-dimethoxyphenethylamine",DB00061
6428,6428,6428,Not Available,OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CC1=CC=C(OCC[C@H]2CC[C@H]3[C@@H]4[C@H](C)CC5=C(C=CC(O)=C5)[C@H]4CC[C@]23C)C(OC)=C1,,BMS184394,DB03367
6429,6429,6429,Not Available,[H][C@@]1(CS(=O)(=O)C2=CC=C(OC)C=C2)CCCC[C@@]1([H])C(=O)NCCN,,CRA_8696,DB03498
6430,6430,6430,Not Available,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,,Econazole,DB07510
6431,6431,6431,Not Available,OC1=CC=C2[C@H](N(CCC2=C1)C1=CC=CC=C1)C1=CC=C(OCCN2CCCCC2)C=C1,,"3,6,9,12,15,18-HEXAOXAICOSANE",DB04032
6432,6432,6432,Tacrolimus is a calcineurin inhibitor used to prevent organ transplant rejection and to treat moderate to severe atopic dermatitis.,CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC,,"4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one",DB03120
6433,6433,6433,Not Available,[H][C@]1(CCCN1)C1=CC(NC(=O)NC2=CC=CC3=C2[C@]2([H])CCCN2C3=O)=NN1,,5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID,DB16266
6434,6434,6434,CAD106 is an immunotherapeutic product in development for the treatment of Alzheimer's disease. It is designed to induce antibodies against the beta-amyloid-protein that inhibit the formation of plaques in the brain of Alzheimer's disease patients.,,,Dinoprostone,DB05945
6435,6435,6435,Not Available,NC(=O)C1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC=C1,,Leuprolide,DB07575
6436,6436,6436,Not Available,OC(=O)CBr,,"12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12H)-one",DB01782
6437,6437,6437,Desvenlafaxine is an antidepressant agent and SNRI used for the treatment of major depressive disorders in adults.,CN(C)CC(C1=CC=C(O)C=C1)C1(O)CCCCC1,,"(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid",DB14507
6438,6438,6438,Not Available,OC1=C(O)C(=CC=C1)C1=CC=CC=C1,,"(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID",DB08038
6439,6439,6439,Not Available,C[C@@H](CC1=CC=CC=C1)C(O)=O,,HE3286,DB02185
6440,6440,6440,Not Available,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)COP(O)(O)=O,,Lubiprostone,DB03400
6441,6441,6441,Not Available,[H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1,,N-Acetylalanine,DB03662
6442,6442,6442,Not Available,[H]N([C@@H](CC1=CC=C(OS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)C=C1)C(O)=O)S(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C,,Sitaxentan,DB02237
6443,6443,6443,Aniracetam is a nootropic drug used to ameliorate memory and attention disturbances accompanying cerebrovascular diseases and degenerative brain disorders.,COC1=CC=C(C=C1)C(=O)N1CCCC1=O,,8-Aminotheophylline,DB03876
6444,6444,6444,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)N4C=CC(=O)N([H])C4=O)[C@@H](O)[C@H]3O)C2=NC=N1,,DPI59,DB11588
6445,6445,6445,Dexmedetomidine is an alpha-2 agonist used for sedation during various procedures.,C[C@H](C1=CNC=N1)C1=C(C)C(C)=CC=C1,,Cholesteryl Linoleate,DB07722
6446,6446,6446,"Ustekinumab is a targeted antibody therapy used to manage inflammatory conditions such as plaque psoriasis, psoriatic arthritis, Crohn's Disease, and ulcerative colitis.",,EVQLVQSGAEVKKPGESLKISCKGSGYSFTTYWLGWVRQMPGKGLDWIGIMSPVDSDIRYSPSFQGQVTMSVDKSITTAYLQWNSLKASDTAMYYCARRRPGQGYFDFWGQGTLVTVSSSSTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH,Quizartinib,DB05046
6447,6447,6447,Not Available,[H]N([C@H]1[C@@H](C)CC[C@H]1O)C(=O)[C@@H](C[C@H](O)CN1CCN(C[C@H]1C(=O)N([H])C(C)(C)C)C(=O)C1=CN=C(N2CCN(C)CC2)C(Cl)=N1)CC1=CC=CC=C1,,Fumagillin,DB13179
6448,6448,6448,Not Available,NC(=O)C1=C(C=C(C(=C1)N(CCCl)CCCl)[N+]([O-])=O)[N+]([O-])=O,,Sibutramine,DB04280
6449,6449,6449,Not Available,CNCC1=CC=C(C=C1)C1=NC=NC2=C1N=CN2,,GS-441524,DB08777
6450,6450,6450,"Sulfapyridine is a sulfonamide antibiotic used to treat dermatitis herpetiformis, benign mucous membrane pemphigoid and pyoderma gangrenosum.",NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1,,Pentaglyme,DB08900
6451,6451,6451,"OSI-7904L is a liposome encapsulated thymidylate synthase inhibitor, which is indicated for use in advanced gastric and/or gastroesophageal adenocarcinoma (A-G/GEJA). Current treatments also inhibit thymidylate synthase but the innovative lipid coating of OSI-7904L allows for more enduring results with administration of the TS inhibitor.",,,1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea,DB02855
6452,6452,6452,"Trimethoprim is an antifolate antibiotic often used in combination with sulfamethoxazole to treat a number of infections, including those of the urinary tract, respiratory tract, and gastrointestinal tract.",COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC,,"2,4-Diamino-6-Phenyl-5,6,7,8,-Tetrahydropteridine",DB00829
6453,6453,6453,Pranlukast is a leukotriene receptor antagonist for the treatment of allergic rhinitis and asthma symptoms.,O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1,,3-Fluoro-2-(Phosphonooxy)Propanoic Acid,DB03365
6454,6454,6454,Not Available,CC(C)(C)C1=CC=C(SC2=CC=CC3=C2C(N)=NC(N)=N3)C=C1,,2-deoxy-2-acetamido-beta-D-galactose-4-sulfate,DB08339
6455,6455,6455,Not Available,CC(C)C(=O)C(O)=O,,5-phenyl-1H-indazol-3-amine,DB06475
6456,6456,6456,Vigabatrin is an irreversible GABA transaminase inhibitor used as an adjunct therapy to treat refractory complex partial seizures in patients ≥2 years unresponsive to alternatives. May also be used as monotherapy to treat infantile spasms in infants 1 month to 2 years.,NC(CCC(O)=O)C=C,,"8,9,10-trihydroxy-7-hydroxymethyl-3-methyl-6-oxa-1,3-diaza-spiro[4.5]decane-2,4-dione",DB07367
6457,6457,6457,"Afimoxifene (4-Hydroxytamoxifen, trade name TamoGel) is a new estrogen inhibitor under investigation for a variety of estrogen-dependent conditions, including cyclic breast pain and gynecomastia. TamoGel is formulated using Enhanced Hydroalcoholic Gel (EHG) Technology. This technology enables percutaneous delivery of drugs that cannot be delivered orally. It is being developed by Ascent Therapeutics.",CC\C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1,,"N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE",DB00022
6458,6458,6458,Glatiramer is an immunomodulator used to reduce the frequency of relapses in Multiple Sclerosis (MS).,,EAYKAAEKAYAAKEAAKEAAKAKAEKKAAYAKAKAAKYEKKAKKAAAEYKKK,"5-Alpha-Androstane-3-Beta,17beta-Diol",DB08535
6459,6459,6459,"Ketanserin has been investigated for the treatment of Septic Shock, Severe Sepsis, and Diabetic Foot Ulcer.",FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1,,Tofisopam,DB01841
6460,6460,6460,Not Available,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O,,[Methyltelluro]Acetate,DB04115
6461,6461,6461,JNJ-17216498 is a histamine receptor H3 antagonist developed by Johnson and Johnson for the treatment of narcolepsy.1,,,Nitrazepam,DB07624
6462,6462,6462,Not Available,[H][C@]1(CO)O[C@@]([H])(OC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)[C@@]([H])(F)[C@@]([H])(O)[C@]1([H])O,,Ceftazidime BATSI,DB00849
6463,6463,6463,Not Available,[H][C@@](CC(O)=O)(NC(=O)C1=CN=CC(=C1)C1=CC=C(C=C1)C(O)=O)C=O,,Decyl(dimethyl)phosphine oxide,DB04696
6464,6464,6464,Not Available,[H]N([H])C[C@@H](O)[C@@H](O)[C@]1([H])OC(=C[C@H](O)[C@H]1N([H])C(C)=O)C(O)=O,,3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID,DB08134
6465,6465,6465,"Foscarnet is an antiviral used to treat CMV, HIV, and HSV infections.",OC(=O)P(O)(O)=O,,Dexmethylphenidate,DB04064
6466,6466,6466,Fluorescein is a dye used in angiography or angioscopy of the iris and retina.,OC1=CC=C2C(OC3=CC(O)=CC=C3C22OC(=O)C3=C2C=CC=C3)=C1,,Muscimol,DB14700
6467,6467,6467,"Mersalyl is the sodium salt form of mersalyl acid, a mercurial diuretic. It is an outdated drug, and its approval has been discontinued by the FDA. Mersalyl acid is currently replaced by less toxic non-mercury containing diuretics 4,6. The sodium salt of a mercury-containing derivative of salicylamide, was formerly used (often in combination with theophylline) to treat edema, due to its powerful diuretic properties 6. Interestingly, it has been found to have antiviral properties in mice 13.",COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O,,Adenosine,DB09097
6468,6468,6468,"Thymidine is a pyrimidine deoxynucleoside. Thymidine is the DNA nucleoside T, which pairs with deoxyadenosine (A) in double-stranded DNA. In cell biology it is used to synchronize the cells in S phase.",CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,,Lindane,DB07289
6469,6469,6469,Not Available,[H][C@@](O)(CO[C@@]([H])(O)CCCCCCCCCCCCCC)COP(O)(=O)OC[C@]([H])(N)C(O)=O,,Tandutinib,DB07919
6470,6470,6470,3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid is a solid. This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivatives thereof) containing an amine group attached to the benzene moiety. 3-(5-amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid targets the protein methionine aminopeptidase.,OC(=O)C1=CC(NN=C2C(=N)N=NC2=N)=CC=C1,,Oxygen,DB08327
6471,6471,6471,Amrinone is a positive inotropic agent and phosphodiesterase inhibitor used in the management of treatment of congestive heart failure.,NC1=CC(=CNC1=O)C1=CC=NC=C1,,Vorinostat,DB05992
6472,6472,6472,"Liraglutide is a GLP-1 analog used in the management of type 2 diabetes mellitus, prevention of cardiovascular complications associated with diabetes, and obesity.",,HAEGTFTSDVSSYLEGQAAKEEFIAWLVRGRG,Zomepirac,DB00764
6473,6473,6473,Not Available,CN(CCCCCCOC1=CC=C2C(SN=C2C2=CC=C(Br)C=C2)=C1)CC=C,,4-Methylcoumarin,DB03440
6474,6474,6474,Not Available,CN1N=C(C(O)=O)C2=C1C1=NC(NC3=CC=CC=C3)=NC=C1CC2,,Selegiline,DB02288
6475,6475,6475,Not Available,CCNC(=O)C1=NOC(=C1C1=CC=C(OC)C=C1)C1=C(O)C=C(O)C(Cl)=C1,,Diosmin,DB04201
6476,6476,6476,Not Available,OC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CCCN2CCC[C@H](N2C1=O)C(O)=O,,Methylergometrine,DB03226
6477,6477,6477,"XL281 is a novel anticancer compound designed to potently inhibit the RAS/RAF/MEK/ERK signaling pathway. Mutational activation of RAS occurs in about 30 percent of all human tumors, including non-small cell lung, pancreatic, and colon cancer. XL281 is a specific inhibitor of RAF kinases, including the mutant form of B-RAF, which is activated in 60 percent of melanomas, 24-44 percent of thyroid cancers, and 9 percent of colon cancers.",,,Cholesterol,DB08557
6478,6478,6478,Not Available,[H][C@@]1(CC[C@]([H])(C2=C(F)C=C(F)C(F)=C2)[C@@]([H])(N)C1)N1CCN2C(C1)=NN=C2C(F)(F)F,,4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide,DB11348
6479,6479,6479,Not Available,C[C@H]1C[C@H](O)N[C@@H]2CCCCN(O[Fe@@]34O[C@@H](\C=C\CCCCCCC(O)=O)[N@](CCCC[C@H](NC(=O)[C@H]5COC(=N5)C5=CC=CC=C5O3)C(=O)O1)O4)C2=O,,ATL1102,DB01216
6480,6480,6480,Benzoic acid is an antimicrobial food additive.,OC(=O)C1=CC=CC=C1,,ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID,DB00686
6481,6481,6481,"Nitisinone is a hydroxyphenylpyruvate dioxygenase inhibitor used as an adjunct to dietary restrictions for the treatment of hereditary tyrosinemia type 1 (HT-1), which causes intolerance to tyrosine containing foods.",[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C1C(=O)CCCC1=O,,"N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine",DB01879
6482,6482,6482,Reslizumab is an IL-5 antagonist used as an add-on maintenance treatment of patients with severe eosinophilic asthma in adults.,,,Brasofensine,DB08253
6483,6483,6483,Not Available,CCCCCCCC[S@@](=O)CCO,,Reboxetine,DB02470
6484,6484,6484,Ergometrine is an ergot alkaloid used for the treatment of postpartum haemorrhage and post abortion hemorrhage in patients with uterine atony.,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO,,Ferrous sulfate anhydrousCommonly known or available as Ferrous sulfate,DB02054
6485,6485,6485,Not Available,CC1=C(CC(N)=O)C2=C(C=CC(OCCCP(O)(O)=O)=C2)N1CC1=CC=CC=C1,,1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine,DB03820
6486,6486,6486,Flecainide is a class Ic antiarrhythmic agent used to manage atrial fibrillation and paroxysmal supraventricular tachycardias (PSVT).,FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1,,Norclozapine,DB04348
6487,6487,6487,Anthralin is an anthracene used to treat stable plaque psoriasis.,OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2,,7-Nitroindazole,DB02902
6488,6488,6488,"Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions. [PubChem]",NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,,N-Propargyl-1(S)-Aminoindan,DB07132
6489,6489,6489,Not Available,NC(=N)C1=CC2=C(NC(CC3=NC4=C(N3)C=CC=C4)=N2)C=C1,,(R)-tacrine(10)-hupyridone,DB04620
6490,6490,6490,Not Available,[H][C@@](CC)(CO)NC1=NC2=C(C=NN2C(NCC2=CC=CC=C2)=N1)C(C)C,,3-(5-Amino-3-imino-3H-pyrazol-4-ylazo)-benzoic acid,DB00745
6491,6491,6491,Dostarlimab is an anti-PD-1 monoclonal antibody used in the treatment of mismatch repair deficient endometrial cancers and solid tumours with no alternative treatment options.,,EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYDMSWVRQAPGKGLEWVSTISGGGSYTYYQDSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASPYYAMDYWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE,DB02358
6492,6492,6492,"MLN8054 has been used in trials studying the treatment of Colon Neoplasm, Breast Neoplasm, Bladder Neoplasm, Pancreatic Neoplasm, and Advanced Malignancies.",OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1,,Travoprost,DB01418
6493,6493,6493,Not Available,OC(=O)CCCNC(=O)NC1CCCCC1,,Lobeline,DB02501
6494,6494,6494,Bitolterol mesylate was used to treat bronchospasms in asthma and COPD. It is a beta-2-adrenergic receptor agonist. Bitolterol was withdrawn from the market by Elan Pharmaceuticals in 2001.,CC1=CC=C(C=C1)C(=O)OC1=C(OC(=O)C2=CC=C(C)C=C2)C=C(C=C1)C(O)CNC(C)(C)C,,GW 597599,DB04552
6495,6495,6495,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCN([H])C(=O)CCC(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Hycanthone,DB03691
6496,6496,6496,Lithium cation is a drug used for the management of bipolar disorder and other psychiatric conditions.,[Li+],,Quinupristin,DB07161
6497,6497,6497,Etiprednol dicloacetate (BNP-166) is a soft corticosteroid with anti-inflammatory properties that has been indicated in the treatment of asthma and Chron's disease. Anti-asthmatic effects were associated with decreased cytokine production in lipopolysaccharide-stimulated lymphocytes and attenuated lectin-induced proliferation of blood mononuclear cells in tissue culture.,[H][C@@]12CC[C@](OC(=O)C(Cl)Cl)(C(=O)OCC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,5-Iodouracil,DB04482
6498,6498,6498,Azvudine is under investigation in clinical trial NCT04668235 (Study on Safety and Clinical Efficacy of AZVUDINE in COVID-19 Patients (Sars-cov-2 Infected)).,NC1=NC(=O)N(C=C1)[C@@H]1O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]1F,,"5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID",DB03207
6499,6499,6499,Not Available,C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1C1=CC=C(F)C=C1C)N1CCN(CC1)C(C)=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,,"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine",DB03311
6500,6500,6500,Not Available,N\C=C\OP(O)(O)=O,,N-Formylpiperidine,DB17096
6501,6501,6501,Not Available,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(O)=O,,"5-Carbamoyl-1,1':4',1''-terphenyl-3-carboxylic acid",DB07538
6502,6502,6502,Not Available,OC(=O)\C=C\C1=CNC=N1,,"1-(5-CHLORO-2,4-DIMETHOXYPHENYL)-3-(5-CYANOPYRAZIN-2-YL)UREA",DB03784
6503,6503,6503,Not Available,[H][C@@](CC1CCCCC1)(NC1=NC2=CC=CC=C2O1)C(=O)NCCNC1=CC=C(OC)C=C1,,4-hydroxyphenacyl coenzyme A,DB06124
6504,6504,6504,Isosorbide is a vasodilator used for the prevention and treatment of angina pectoris due to coronary artery disease. It was previously used to reduce intraocular pressure.,[H][C@]1(O)CO[C@]2([H])[C@]([H])(O)CO[C@]12[H],,Heme D,DB08174
6505,6505,6505,Not Available,[H][C@]1(CC(F)(F)CN1C(=O)CCN1C(=O)C2=C(C=CC=C2)C1=O)C(=O)N1CCCC1,,2-mercaptobenzothiazole,DB00350
6506,6506,6506,Saquinavir is an HIV protease inhibitor used in combination with other antiretroviral agents for the treatment of HIV-1 with advanced immunodeficiency.,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC3=C(C=CC=C3)C=C1)[C@@H](C2)C(=O)NC(C)(C)C,,Tetrahydrofolic acid,DB02540
6507,6507,6507,"Alteplase is a recombinant form of human tissue plasminogen activator used in the emergency treatment of myocardial infarction, ischemic stroke, and pulmonary emboli.",,SYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVPVKSCSEPRCFNGGTCQQALYFSDFVCQCPEGFAGKCCEIDTRATCYEDQGISYRGTWSTAESGAECTNWNSSALAQKPYSGRRPDAIRLGLGNHNYCRNPDRDSKPWCYVFKAGKYSSEFCSTPACSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP,Guanosine-5'-Diphosphate,DB05045
6508,6508,6508,Mavacamten is a myosin inhibitor used to treat obstructive hypertrophic cardiomyopathy.,CC(C)N1C(=O)NC(N[C@@H](C)C2=CC=CC=C2)=CC1=O,,Succinamide-CoA,DB02172
6509,6509,6509,Not Available,[H][C@]1(CC)CNCC2=C1C=C(NC(=O)C1=CC=C3C=C(C=CC3=C1)C(N)=N)C=C2,,Orphenadrine,DB08694
6510,6510,6510,Nifurtimox is an antiparasitic drug used for the treatment of Chagas disease (Trypanosoma cruzi infection).,CC1CS(=O)(=O)CCN1\N=C\C1=CC=C(O1)[N+]([O-])=O,,Ferrous succinate,DB01688
6511,6511,6511,Nandrolone decanoate is an anabolic steroid indicated for the management of the anemia of renal insufficiency by increasing hemoglobin and red cell mass.,[H][C@@]12CC[C@H](OC(=O)CCCCCCCCC)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,"8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine",DB05494
6512,6512,6512,Triflusal is a medication related to acetylsalicylic acid with antithrombotic effects used in the treatment of thromboembolic diseases.,CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(O)=O,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide,DB07297
6513,6513,6513,Not Available,ONC(=O)CCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N,,FM-VP4,DB01576
6514,6514,6514,Alosetron is a 5-HT3 antagonist used to treat diarrhea-predominant IBS.,CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)NC=N1)CC2,,(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-1-IMINE,DB05212
6515,6515,6515,Not Available,[H][C@]1(CC(=O)NO)SC2=CC=CC=C2NC1=O,,Esculin,DB11739
6516,6516,6516,"Ridogrel is a dual action drug useful for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction. However, there currently are no clinical indications for preferential use of ridogrel over aspirin.",OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F,,Isocyanomethane,DB05644
6517,6517,6517,Not Available,C[N+]#[C-],,Arecoline,DB00789
6518,6518,6518,Not Available,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,,2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate),DB03889
6519,6519,6519,Not Available,[H][C@@]1(O)O[C@@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,,Tetrandrine,DB03761
6520,6520,6520,"Mepenzolate is a postganglionic parasympathetic inhibitor that was previously approved for improving the healing of gastric ulcers, but has been discontinued.",C[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1,,Tanespimycin,DB02253
6521,6521,6521,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CF)N1C=NC2=C1N=CN=C2N,,Ethylaminobenzylmethylcarbonyl Group,DB16738
6522,6522,6522,Not Available,CC1=CC(=NC(N)=N1)C#CC1=C(CNN2C=COC2=O)C=CC=C1,,"4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]furan-2-Yl}benzenesulfonamide",DB04498
6523,6523,6523,Not Available,[H]N([H])C(\CC1=C(Cl)C=CC=C1Cl)=N/C(=S)N([H])C1=CC=C(C=C1)C#N,,Penicillin G Acyl-Serine,DB02831
6524,6524,6524,Not Available,[H][C@@](C)(O)C[C@](C)(O)CO,,Bemiparin,DB08484
6525,6525,6525,Not Available,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC(Br)=C1,,PD150606,DB02272
6526,6526,6526,Omega-3-carboxylic acids is a medication used with other medications to lower triglyceride levels in adult patients with severe hypertriglyceridemia.,,,Apremilast,DB00051
6527,6527,6527,Molindone is an antipsychotic used to treat schizophrenia.,CCC1=C(C)NC2=C1C(=O)C(CN1CCOCC1)CC2,,N-1-methylheptylformamide,DB15090
6528,6528,6528,Not Available,CN1C2=C(C(Br)=C1C(=O)NCCO)C1=C(C(=O)NC1=O)C(=C2)C1=C(Cl)C=CC=C1,,Conivaptan,DB07346
6529,6529,6529,Fish oil is a source of essential fatty acids used as a source of calories in parenteral nutrition and as a dietary supplement.,,,11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID,DB04326
6530,6530,6530,"Carteolol is a beta adrenergic antagonist used to treat arrhythmia, angina, hypertension, and glaucoma.",CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2,,Decyl formate,DB07221
6531,6531,6531,Not Available,[H][C@@](O)(CCCCCCC)C[C@@]1([H])O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O,,S-4-Nitrobutyryl-CoA,DB04505
6532,6532,6532,"Tegoprazan (also known as CJ-12420) is a novel therapeutic developed by CJ Healthcare Corp for treating acid-related gastrointestinal diseases.1,2 This drug is a potent and high-selective potassium-competitive acid blocker (P-CAB) with a fast onset of action and the ability to control gastric pH for a prolonged period of time.1,2 Tegoprazan’s strong and sustained effect is due to its ability to be slowly cleared from the gastric glands and exertion of effects independent of acid levels.2 It has also been observed to be efficacious independent of food intake.2",CN(C)C(=O)C1=CC(O[C@H]2CCOC3=CC(F)=CC(F)=C23)=C2NC(C)=NC2=C1,,Polaprezinc,DB01395
6533,6533,6533,Not Available,CCCCCCCCSCC(=O)C(F)(F)F,,6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID,DB04519
6534,6534,6534,Not Available,[H]N1N=C2C(=N1)C(Br)=C(Br)C(Br)=C2Br,,Natalizumab,DB04575
6535,6535,6535,Not Available,OC1=NC=NC2=C1N=NC2,,Pitavastatin,DB04630
6536,6536,6536,Vismodegib is a hedgehog pathway inhibitor used to treat patients with locally advanced or metastatic basal cell carcinoma.,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1,,"N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide",DB03571
6537,6537,6537,Not Available,O[C@H](COP(O)(O)=O)C(O)=O,,Sorafenib,DB06756
6538,6538,6538,Not Available,[H][C@@](CC(C)C)(NC(C)=O)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)C(F)(F)F,,[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE,DB03267
6539,6539,6539,"V1003 is an intranasal formulation of buprenorphine, an opiate analgesic, for the management of post-operative pain in hospital and home settings. Buprenorphine is a well-known analgesic and the intranasal formulation has the potential to provide a convenient alternative to other treatments, allowing patients to manage their post-operative pain both prior to discharge from hospital and at home during their recovery period.",,,"3-{[(2,2-dioxido-1,3-dihydro-2-benzothien-5-yl)amino]methylene}-5-(1,3-oxazol-5-yl)-1,3-dihydro-2H-indol-2-one",DB01088
6540,6540,6540,Not Available,[H][C@]1(N)CN2C(C[C@]1([H])C1=C(F)C=C(F)C(F)=C1)=NC1=CC(=CC=C21)S(C)(=O)=O,,Hypothemycin,DB02211
6541,6541,6541,Not Available,COC1=CC(=CC(OC)=C1O)\N=N\C1=CC=CC=C1C(O)=O,,Monobenzone,DB04231
6542,6542,6542,The D-isomer of aspartic acid. [PubChem],N[C@H](CC(O)=O)C(O)=O,,Nitisinone,DB02265
6543,6543,6543,Not Available,[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO,,Mecamylamine,DB01767
6544,6544,6544,Not Available,[H][C@]1(N)CN2C(C[C@]1([H])C1=CC(F)=C(F)C=C1F)=NC1=C2C=CN=C1,,Indole-3-Glycerol Phosphate,DB08152
6545,6545,6545,Fasinumab is a monoclonal antibody targeting nerve growth factor which is under investigation for the treatment of chronic cancer and non-cancer pain.,,,Aprinocarsen,DB02343
6546,6546,6546,"A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341)",C[N+](C)(C)CC(O)=O,,DAS-431 IV,DB06343
6547,6547,6547,"Meclocycline is a tetracycline antibiotic indicated in the treatment of susceptible skin infections, bacterial vaginitis, vulvovaginitis, and cervicitis.",[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C,,Nabiximols,DB05624
6548,6548,6548,"Thiodigalactoside is a solid. This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates. This medication is known to target galectin-1, heat-labile enterotoxin b chain, neurocan core protein, and lactose permease.",[H][C@]1(CO)O[C@@]([H])(S[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,"[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid",DB00804
6549,6549,6549,Not Available,CN(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NC(=O)[C@@](C)(O)C(F)(F)F)C(Cl)=C1,,Docetaxel,DB05428
6550,6550,6550,Not Available,COC1=C(O)C=CC(\C=C\C(O)=O)=C1,,4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID,DB08891
6551,6551,6551,Aducanumab is a monoclonal antibody indicated in the treatment of Alzheimer's disease.,,,4-Iodopyrazole,DB07206
6552,6552,6552,Not Available,CCOC1=C(F)C(CCNC(=S)NC2=CC=C(C)C=N2)=NC=C1,,N-Allylaniline,DB00594
6553,6553,6553,Not Available,[H]N1C(=O)C(C)=C(CC)\C1=C\C1=N\C(=C/C2=C(C)C(CCC(O)=O)=C(\C=C3/N([H])C(=O)C(C)=C3CC)N2[H])\C(C)=C1CCC(O)=O,,Butylamine,DB07164
6554,6554,6554,Not Available,CNC(=O)C1=NC=CC(OC2=CC3=C(C=C2)N=C(NC2=CC(=C(Cl)C=C2)C(F)(F)F)N3)=C1,,Dipivefrin,DB02731
6555,6555,6555,Not Available,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CCC4=CC(O)=CC=C4[C@@]3([H])[C@@]([H])(COC)C[C@]12C,,"D-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-N,O-cycloserylamide",DB07817
6556,6556,6556,"Nifedipine is a dihydropyridine calcium channel blocker indicated for the management of several subtypes of angina pectoris, and hypertension.",COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC,,LY341770,DB15149
6557,6557,6557,Bismuth subcitrate potassium is a colloid used for the treatment of peptic ulcer and gastro-esophageal reflux disease (GERD).,[K+].[K+].[K+].[K+].[K+].[Bi+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,,beta-Naphthoflavone,DB01339
6558,6558,6558,Antithrombin III human is an alpha-2-glycoprotein used to prevent thromboembolisms in patients with hereditary antithrombin III deficiency.,,,(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol,DB07108
6559,6559,6559,Not Available,[H][C@](CC1=CC2=C(C=CC=C2)C=C1)(NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1)C(=O)NO,,"6-Aminohexyl-uridine-C1,5'-diphosphate",DB01124
6560,6560,6560,Frovatriptan is a 5-HT1B/1D receptor agonist used to treat migraines.,CN[C@@H]1CCC2=C(C1)C1=C(N2)C=CC(=C1)C(N)=O,,Samidorphan,DB04005
6561,6561,6561,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C(F)=C(F)C=C1,,Ferroheme C,DB00697
6562,6562,6562,Not Available,NC1=C(N2C=C(C=CC2=N1)C(=O)C1=C(F)C=CC=C1F)C(=O)C1=CC=CC=C1,,"5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid",DB04576
6563,6563,6563,Not Available,[H][C@]1(CCCN1C(=O)OCC1=CC=CC=C1)C(=O)NNCCCCN,,Cefuroxime,DB09018
6564,6564,6564,Crisaborole is a non-steroidal topical medication used for the treatment of mild-moderate atopic dermatitis.,OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2,,"2-Amino-7-[2-(2-Hydroxy-1-Hydroxymethyl-Ethylamino)-Ethyl]-1,7-Dihydro-Purin-6-One",DB04513
6565,6565,6565,Not Available,NC1=CC=C2N=C(N)N=C(N)C2=C1,,N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate,DB04524
6566,6566,6566,"Razuprotafib, also known as AKB-9778, is a small-molecule inhibitor restoring Tie2 activation by inhibiting VE-PTP.1,2 In investigations against diabetes and COVID-19, razuprotafib is self-administered by patients through subcutaneous injection.",COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(NS(O)(=O)=O)C=C1)C1=CSC(=N1)C1=CC=CS1,,Stamulumab,DB03032
6567,6567,6567,VGV-1 is a potential salvage therapy for treatment of HIV infected people who have failed anti-retroviral therapy.,,,Cycloleucine,DB07432
6568,6568,6568,Dimethylcurcumin is a synthetic chemical compound that is loosely based on a compound found in curcumin. It is a novel anti-androgen that enhances androgen receptor degradation.,COC1=CC=C(\C=C\C(\O)=C\C(=O)\C=C\C2=CC(OC)=C(OC)C=C2)C=C1OC,,Virginiamycin S1,DB01645
6569,6569,6569,Lactose is an additive and filler found in various products to maintain structure and consistency.,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,,Hydrolyzed Cephalothin,DB03750
6570,6570,6570,Not Available,[O-][V](=O)[O+]([V](=O)O[V](=O)(=O)O[V](=O)(=O)[O+]([V]([O-])=O)[V](=O)(=O)=O)[V](=O)(=O)=O,,TM30339,DB01006
6571,6571,6571,Not Available,CC1=CC=C(CN2C=NC(=C2)C2=CC=CS2)C=C1,,2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID,DB13036
6572,6572,6572,Not Available,CNC(=O)[C@@H](NC(=O)[C@H](OCC1=CC=CC=C1)[C@H](O)[C@@H](O)[C@@H](OCC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12)C(C)C,,beta-D-Ribose-5-phosphate,DB08004
6573,6573,6573,A methylpentose whose L- isomer is found naturally in many plant glycosides and some gram-negative bacterial lipopolysaccharides. [PubChem],[H][C@@](C)(O)[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)C=O,,Dronabinol,DB06420
6574,6574,6574,Proparacaine is a topical anesthetic used for ophthalmic practice.,CCCOC1=C(N)C=C(C=C1)C(=O)OCCN(CC)CC,,"N-[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide",DB08651
6575,6575,6575,Not Available,NC(=[NH2+])C1=CC2=C(S1)N=CC=C2,,4-[[(2S)-2-[[(2S)-3-Carboxy-2-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]butyl-(diaminomethylidene)azanium,DB06848
6576,6576,6576,Not Available,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,,Isoetharine,DB02021
6577,6577,6577,Not Available,[H][C@@]12C=C(Br)N=C1C(=O)NCC[C@]2([H])C1=NC(N)=NC1=O,,Finasteride,DB13335
6578,6578,6578,Colchiceine is one of several metabolites of the anti-gout medication colchicine.1,COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(O)=CC=C23)=C1,,3-thiaoctanoyl-CoA,DB02943
6579,6579,6579,Not Available,CN1CCN2C1=NC1=C(Br)C(Br)=C(Br)C(Br)=C21,,Tetrathiomolybdate,DB11986
6580,6580,6580,Not Available,OC1=CC=C(CCNC2=NC(SCCCC3=CC=C(Cl)C=C3)=NC(=N2)N2CCNCC2)C=C1,,Chlorthalidone,DB01866
6581,6581,6581,Not Available,CC1=CC(=CC(C)=C1)S(=O)(=O)C1=C(C#N)C(N)=CC=C1,,nor-NOHA,DB11431
6582,6582,6582,Sucralfate is a gastro-duodenal protective agent used in the treatment of gastric and duodenal ulcers and to prevent duodenal ulcer recurrence.,O.O[Al](O)O.O[Al](O)OS(=O)(=O)OC[C@H]1O[C@@](COS(=O)(=O)O[Al](O)O)(O[C@H]2O[C@H](COS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@H]2OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O,,Alpha-Methyl-N-Acetyl-D-Glucosamine,DB00820
6583,6583,6583,Not Available,CC[C@H](N)CC1=CC=CC=C1,,Vanoxerine,DB02046
6584,6584,6584,"OPC-51803 is the first nonpeptide vasopressin (AVP) V(2)-receptor-selective agonist. It is a V(2)-selective agonist that produces a significant antidiuretic action after single and multiple oral dosing in AVP-deficient and normal AVP states. It is useful therapeutic drug in the treatment of hypothalamic diabetes insipidus, nocturnal enuresis, and some kinds of urinary incontinence.",CC(C)NC(=O)C[C@H]1CCCN(C(=O)C2=C(Cl)C=C(C=C2)N2CCCC2)C2=CC=CC=C12,,"4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE",DB00786
6585,6585,6585,"Epitestosterone is the 17-alpha isomer of testosterone, derived from pregnenolone via the delta5-steroid pathway, and via 5-androstene-3-beta,17-alpha-diol. Epitestosterone acts as an antiandrogen in various target tissues. The ratio between testosterone/epitestosterone is used to monitor anabolic drug abuse.",[H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine",DB06324
6586,6586,6586,An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis.,[H]C(=O)[C@H](O)COP(O)(O)=O,,Vapreotide,DB15643
6587,6587,6587,Not Available,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](O)CC[C@]12C,,APD668,DB08361
6588,6588,6588,5-fluorotryptophan can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.,N[C@@H](CC1=CNC2=C1C=C(F)C=C2)C(O)=O,,Lidorestat,DB01632
6589,6589,6589,Not Available,CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1,,Levorphanol,DB04419
6590,6590,6590,Not Available,COC1=CC(N)=C(OC)C(CCOC(=O)C2=C(O)C=C(O)C(Cl)=C2)=C1OC,,Safinamide,DB03562
6591,6591,6591,Ixekizumab is a monoclonal antibody used to treat moderate to severe plaque psoriasis.,,QVQLVQSGAEVKKPGSSVKVSCKASGYSFTDYHIHWVRQAPGQGLEWMGVINPMYGTTDYNQRFKGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDYFTGTGVYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLG,Acetylsalicylic acidCommonly known or available as Aspirin,DB01067
6592,6592,6592,Not Available,CC1=CC=C(CCC(O)=O)C=C1,,Hydrocortisone valerate,DB07222
6593,6593,6593,Eluxadoline is a mixed mu-opioid receptor agonist used to treat irritable bowel syndrome with diarrhea.,COC1=CC=C(CN([C@@H](C)C2=NC(=CN2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1C(O)=O,,Quinalizarin,DB04113
6594,6594,6594,Entacapone is a selective reversible catechol-O-methyltransferase inhibitor for the treatment of Parkinson's disease.,CCN(CC)C(=O)C(=C\C1=CC(=C(O)C(O)=C1)[N+]([O-])=O)\C#N,,Demegestone,DB00861
6595,6595,6595,"Risperidone is a second-generation antipsychotic medication used to treat a number of mental health disorders including schizophrenia, bipolar mania, psychosis, or as an adjunct in severe depression.",CC1=C(CCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C(=O)N2CCCCC2=N1,,2-(2-Hydroxy-5-Methoxy-Phenyl)-1h-Benzoimidazole-5-Carboxamidine,DB06917
6596,6596,6596,Not Available,[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N,,2-Phosphoglycolic Acid,DB01677
6597,6597,6597,"Reglitazar, an isoxazolidine-3,5-dione derivative, is being developed by Pfizer for the treatment of diabetes. It is the first non-thiazolidenedione to enter clinical trials.",CC1=C(CCOC2=CC=C(CC3C(=O)NOC3=O)C=C2)N=C(O1)C1=CC=CC=C1,,Ansuvimab,DB12499
6598,6598,6598,Mitotane is an adrenal cortex inhibitor used to treat adrenocortical tumors and Cushing's syndrome.,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl,,"(3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one",DB11692
6599,6599,6599,Not Available,[H][C@@](C[P@](O)(=O)[C@@]([H])(NC(=O)OCC1=CC=CC=C1)C(C)C)(C(O)=O)C1=CC(CN)=CC=C1,,Etrolizumab,DB00904
6600,6600,6600,Tigecycline is a glycylcycline antibiotic used to treat a number of susceptible bacterial infections.,[H][C@@]12CC3=C(C(O)=C(NC(=O)CNC(C)(C)C)C=C3N(C)C)C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2,,Leptin,DB06202
6601,6601,6601,Not Available,[H][C@]1(O)C[C@@]([H])(O[C@]1([H])CN1CCCCC1)N1C=C(C)C(=O)NC1=O,,"(5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE",DB01404
6602,6602,6602,"A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)",CC(C)=CCC\C(C)=C/CC\C(C)=C/CO,,Camphor,DB05266
6603,6603,6603,"Chlorpyramine is a first generation antihistamine used in Eastern European countries to treat bronchial asthma as well as allergice rhinitis, allergic conjunctivitis, and other allergic reactions. It is also indicated for Quincke's edema, allergic reactions to insect bites, food and drug allergies, and anaphylactic shock.",CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1,,D-Lactic acid,DB06186
6604,6604,6604,Not Available,CN(CCO)C1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,,N-Alpha-(2-Naphthylsulfonyl)-N(3-Amidino-L-Phenylalaninyl)Isopipecolinic Acid Methyl Ester,DB02259
6605,6605,6605,Not Available,[O-][N+](=O)C1=CC(=CC=C1)C1=CC2=C(S1)C=C1N2C(=S)N(CCCN2CCOCC2)C1=O,,Triclocarban,DB04368
6606,6606,6606,Not Available,[H][C@@]1(O)C[C@@](O)(C=C(F)[C@@]1([H])O)C(O)=O,,Mezagitamab,DB00338
6607,6607,6607,"Peginesatide is a synthetic peptide attached to polyethylene glycol for the treatment of anemia. The polyethylene glycol moiety helps make the drug less immunogenic and prolongs its plasma half-life. Chemically, peginesatide is designed to mimic the pharmacological activity of erythropoietin, but is not a replica of the structure itself. Peginesatide consists of two 21-amino acid chains that are covalently bonded by a linker derived from iminodiacetic acid and β-alanine. FDA approved March 27, 2012.",,,"O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate",DB00492
6608,6608,6608,Hypoxanthine is a purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway.,O=C1N=CNC2=C1NC=N2,,Edonerpic,DB01826
6609,6609,6609,Not Available,NC(CC1C\C(=N/C2CC2C2=CC=CC=C2)C(O)=CC1=O)C(O)=O,,SPP1148,DB16265
6610,6610,6610,Not Available,[H][C@@](CC(=O)OC)(NC(=O)OC(C)(C)C)C(C)=O,,"8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM",DB01196
6611,6611,6611,Amylocaine is a local and topical anaesthetic agent.,CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1,,Creatine,DB05930
6612,6612,6612,Digoxin is a cardiac glycoside used in the treatment of mild to moderate heart failure and for ventricular response rate control in chronic atrial fibrillation.,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1,,[1-(1-Benzyl-3-Hydroxy-2-Oxo-Propylcarbamoyl)-2-Phenyl-Ethyl]-Carbamic Acid Benzyl Ester,DB04048
6613,6613,6613,"Allopurinol is a xanthine oxidase inhibitor used to reduce urinary and serum uric acid concentrations in patients with gout, recurrent calcium oxalate calculi, and various malignancies.",OC1=NC=NC2=C1C=NN2,,"lambda-bis(2,2'-bipyridine)-(5-methyl-2-2'-bipyridine)-C9-adamantane ruthenium (II)",DB02282
6614,6614,6614,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSCC(=O)C(F)(F)F)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Trans-O-Hydroxy-Alpha-Methyl Cinnamate,DB04853
6615,6615,6615,3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide is a solid. This compound belongs to the phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. This drug targets mitogen-activated protein kinase 14.,FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1,,N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID,DB00860
6616,6616,6616,Not Available,[H][C@](N)(CC(=O)N1CCN2N=C(N=C2[C@@]1([H])C)C(F)(F)F)CC1=C(F)C=C(F)C(F)=C1,,(R)-minalrestat,DB04316
6617,6617,6617,Not Available,NC1=NC(=C(C=N1)\N=N\C1=CC=CC=C1)C1=C(Cl)C=C(Cl)C=C1,,Palbociclib,DB03196
6618,6618,6618,"Procaine is a local anesthetic used for anesthesia, peripheral nerve block, and spinal nerve block.",CCN(CC)CCOC(=O)C1=CC=C(N)C=C1,,Decitabine,DB05234
6619,6619,6619,Not Available,CC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1,,N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide,DB12070
6620,6620,6620,Not Available,OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O,,"(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one",DB01144
6621,6621,6621,Trastuzumab emtansine is an antineoplastic agent and antibody-drug conjugate used to treat HER2-overexpressing breast cancer.,,,Acenocoumarol,DB01549
6622,6622,6622,Not Available,CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O,,4-Hydroxy-L-Threonine-5-Monophosphate,DB12733
6623,6623,6623,Not Available,C\C(=C/S(=O)(=O)N[C@@]1([H])CCN([C@](C)([H])C(=O)N2CCOCC2)C1=O)C1=CC=C(Cl)S1,,Managlinat dialanetil,DB11619
6624,6624,6624,Not Available,COC1=C(OC)C=C2C(OC3=CC4=CC=CC(C(=O)NC5CC5)=C4C=C3)=CC=NC2=C1,,Perchlorate,DB06946
6625,6625,6625,"CA-074 methyl ester (CA-074Me) is a cell-permeable cathepsin B inhibitor. It is converted by cellular esterases to CA-074.1,2",[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OC,,Upadacitinib,DB06947
6626,6626,6626,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(OC)=C3)[C@]([H])(O)[C@]1([H])O,,Abemaciclib,DB00200
6627,6627,6627,Not Available,OC1CCN(CC1)C(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,,"N-(1,4-dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide",DB06367
6628,6628,6628,Not Available,NS(=O)(=O)OC1=CC=C(CN(N2C=NN=C2)C2=CC=C(C=C2)C#N)C=C1Br,,"D-1,4-dithiothreitol",DB01215
6629,6629,6629,"Ertiprotafib belongs to a novel class of insulin sensitizers developed for treatment of type 2 diabetes. In insulin-resistant rodent models, ertiprotafib and a close analog lowered both fasting blood glucose and insulin levels and improved glycemic excursion during an oral glucose tolerance test.",CC1=C(C)C2=C(C3=CC(C)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1,,"4,6-Dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxo-2-cyclohexen-1-yl]amino}-α-D-xylo-hex-5-enopyranose",DB04787
6630,6630,6630,"Topiroxostat is a selective xanthine oxidase inhibitor developed for treatment and management of hyperuricemia and gout. Xanthine oxidase, or xanthine oxidoreductase (XOR), regulates purine metabolism, and inhibition of the enzyme results in efficacious reduction of serum urate levels. Xanthine oxidase inhibitors are classified into two groups; purine analogs such as Allopurinol and Oxypurinol, and non-purine agents which includes topiroxostat. While Allopurinol is considered a first-line therapy in treating hyperuricemic conditions, it is often associated with side effects and ineffective in reducing uric acid levels under recommended dosing regimens. Renal complications are major comorbidities that limit the Allopurinol therapy as dose reductions are recommended. Topiroxostat and its metabolites are shown to be unaffected by renal complications, thus may be effective in patients with chronic kidney diseases 2. Approved for therapeutic use in Japan since 2013, topiroxostat is marketed under the name Topiloric and Uriadec and is orally administered twice daily.",N#CC1=NC=CC(=C1)C1=NNC(=N1)C1=CC=NC=C1,,Dezocine,DB12695
6631,6631,6631,Not Available,CC[C@@H](C)O,,Indole Naphthyridinone,DB03203
6632,6632,6632,"Ceftolozane is a cephalosporin antibiotic used to treat complicated intra-abdominal infections in combination with metronidazole, complicated urinary tract infections, and hospital-acquired pneumonia.",CN1C(N)=C(NC(=O)NCCN)C=[N+]1CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=NSC(N)=N1)C2=O)C([O-])=O,,"1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",DB00036
6633,6633,6633,"Eliglustat is a glucosylceramide synthase used to treat type 1 Gaucher disease in patients who are CYP2D6 extensive, intermediate, or poor metabolizers.",CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)C1=CC=C2OCCOC2=C1,,9-Aminophenanthrene,DB08064
6634,6634,6634,Remoxipride is an discontinued atypical antipsychotic selective for dopamine D2 receptors.,CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC,,Clotrimazole,DB01162
6635,6635,6635,Not Available,OC1=CC=CC=C1[S@](=O)CCCCP(O)(O)=O,,Colchicine,DB03699
6636,6636,6636,Not Available,CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC2=CC=CN=C2C=C1,,Selumetinib,DB08192
6637,6637,6637,"R-roscovitine (Seliciclib or CYC202) is a cyclin-dependent kinase (CDK) inhibitor that preferentially inhibits multiple enzyme targets including CDK2, CDK7 and CDK9, which alter the growth phase of treated cells. Developed by Cyclacel, seliciclib is being researched for the treatment of non-small cell lung cancer (NSCLC), leukemia, HIV infection, herpes simplex infection, and the mechanisms of chronic inflammation disorders.",CC[C@H](CO)NC1=NC(NCC2=CC=CC=C2)=C2N=CN(C(C)C)C2=N1,,Befunolol,DB02238
6638,6638,6638,Galantamine is a cholinesterase inhibitor used to manage mild to moderate dementia associated with Alzheimer's Disease.,[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)CC3=C1C(O2)=C(OC)C=C3,,Fidarestat,DB02691
6639,6639,6639,Not Available,NC(=[NH2+])C1=CC2=C(C=C1)N=CN2,,GLPG-0974,DB03312
6640,6640,6640,Not Available,CCCOC1=C2C(NC=C2C2=NC(N)=NC=C2)=NC=C1,,HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE,DB04065
6641,6641,6641,Not Available,CN1C(CCCO)=C(CO)C2=C1C(=O)C=C(N1CC1)C2=O,,3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide,DB02583
6642,6642,6642,Fenoprofen is an anti-inflammatory analgesic used to treat mild to moderate pain in addition to the signs and symptoms of rheumatoid arthritis and osteoarthritis.,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1,,(6R)-Folinic acid,DB08231
6643,6643,6643,Not Available,CC1=CC=C(C)C(CC2=NN(C3=C2C(N)=NC=N3)C(C)(C)C)=C1,,"(7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid",DB07143
6644,6644,6644,Isatoribine is a selective agonist of TLR7.,NC1=NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)S2,,Dexniguldipine,DB01272
6645,6645,6645,Not Available,CN1C(NC2=CC=C(C=C2)C(F)(F)F)=NC2=CC(OC3=CC=NC(=C3)C3=NC=C(N3)C(F)(F)F)=CC=C12,,Alendronic acid,DB02534
6646,6646,6646,"TG100801 is a topically applied kinase inhibitor in macular degeneration patients. It is administered noninvasively as an eye drop and is designed to suppress VEGF mediated leakage and additional kinase targets associated with inflammation, edema, and angiogenesis which are the pathological hallmarks of AMD and other back of the eye diseases including diabetic macular edema and proliferative diabetic retinopathy.",CC1=C2N=C(NC3=CC=C(OCCN4CCCC4)C=C3)N=NC2=CC(=C1)C1=CC(OC(=O)C2=CC=CC=C2)=CC=C1Cl,,4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID,DB04898
6647,6647,6647,Not Available,[H][C@](N)(COP(O)(=O)OC(C)C)C(O)=O,,"7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-DIAMINE",DB03371
6648,6648,6648,Not Available,OC1=CC(O)=C2C(CC(=O)CCCC\C=C\CCOC2=O)=C1Cl,,Famotidine,DB09039
6649,6649,6649,Not Available,NCC1=CC=C(O1)C1=CC=CN=C1,,Eltrombopag,DB00644
6650,6650,6650,"Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE. Hycanthone was approved by the FDA in 1975 but is no longer used.",CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(CO)C=C1,,7-(2-Amino-2-Phenyl-Acetylamino)-3-Chloro-8-Oxo-1-Aza-Bicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid,DB00383
6651,6651,6651,Risedronic acid is a bisphosphonate used to treat osteoporosis and Paget's disease.,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O,,Bisphenol A,DB03059
6652,6652,6652,Not Available,[H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO,,Cabazitaxel,DB12597
6653,6653,6653,"Cirazoline acts on a number of α adrenergic receptors. It is an agonist of α1A, partial agonist of α1B and α1D, and a nonselective antagonist of α2. It is believed that this combination of properties could make cirazoline an effective vasoconstricting agent.
Cirazoline has also been shown to decrease food intake in rats, purportedly through activation of α1-adrenoceptors in the paraventricular nucleus in the hypothalamus of the brain.",[H]N1CCN=C1COC1=CC=CC=C1C1CC1,,Cytidine-5'-Triphosphate,DB08811
6654,6654,6654,"CTS-21166 is a small-molecule beta-secretase inhibitor, which is being developed as a disease-modifying treatment for Alzheimer's disease. CTS-21166 is the only BACE1 inhibitor that has passed Phase I clinical trial thus far. In 2008, CoMentis revealed this small compound as a transition-state analog inhibitor (structure is currently undisclosed) with excellent properties in brain penetration, selectivity, metabolic stability, and oral availability; all of these have met the requirements of an ideal oral drug candidate.",,,N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine,DB06209
6655,6655,6655,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@]([H])(C[C@]1([H])COP(O)(O)=O)OP(O)(=O)OP(O)(O)=O,,Fenoprofen,DB04200
6656,6656,6656,D-Methionine is an amino acid found in mixture products used for nutrient supplementation.,CSCC[C@@H](N)C(O)=O,,"(2R,3R,4R,5R)-3,4-Dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(2-phenylethyl)hexanediamide",DB03549
6657,6657,6657,Cobicistat is a CYP3A inhibitor used to increase the systemic exposure of atazanavir or darunavir in combination with other antiretroviral agents in the treatment of HIV-1 infection.,CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](CC2=CC=CC=C2)NC(=O)OCC2=CN=CS2)CC2=CC=CC=C2)=CS1,,"(4R,5R)-1,2-dithiane-4,5-diol",DB00272
6658,6658,6658,Phosphocreatine is a cardioprotective agent indicated for use in cardiac surgery.,CN(CC(O)=O)C(=N)NP(O)(O)=O,,[1-(4-Fluorobenzyl)Cyclobutyl]Methyl (1s)-1-[Oxo(1h-Pyrazol-5-Ylamino)Acetyl]Pentylcarbamate,DB12271
6659,6659,6659,Not Available,[H][C@]1(CO)O[C@@]([H])(SCCCCCCCC)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Temazepam,DB01252
6660,6660,6660,Not Available,N[C@@H](CCC(=O)N[C@@H](C[S@](O)=O)C(=O)NCC(O)=O)C(O)=O,,8-oxo-dGMP,DB03768
6661,6661,6661,Ketobemidone is a powerful opioid analgesic. It also has some NMDA-antagonist properties. This makes it useful for some types of pain that don't respond well to other opioids. The most commonly cited equalisation ratio for analgesic doses is 25 mg of ketobemidone hydrobromide to 60 mg of morphine hydrochloride or sulfate and circa 8 mg of ketobemidone by injection.,CCC(=O)C1(CCN(C)CC1)C1=CC(O)=CC=C1,,Cyclo(his-pro),DB04128
6662,6662,6662,Not Available,[H][C@](N)(C[SeH](=O)=O)C(O)=O,,Methazolamide,DB07866
6663,6663,6663,Not Available,OC1=CC(=CC(=C1O)[N+]([O-])=O)C(=O)CCN1CCN(CC1)C1=CC(=CC=C1)C(F)(F)F,,Iodo-Willardiine,DB12556
6664,6664,6664,Amikacin is an aminoglycoside used to treat infections caused by more resistant strains of Gram negative bacteria and some Gram positive bacteria.,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,,"5-[1-(3,4-Dimethoxy-Benzoyl)-1,2,3,4-Tetrahydro-Quinolin-6-Yl]-6-Methyl-3,6-Dihydro-[1,3,4]Thiadiazin-2-One",DB00130
6665,6665,6665,Calcitonin was first discovered in isolated parathyroid tissue as a substance with a serum-calcium-lowering effect.2 It is constituted as a 32-amino acid single chain polypeptide structure that gets secreted as a regulatory agent in calcium-phosphorus metabolism.1 It is used as an alternative for people developing antibodies against salmon calcitonin.3,,CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP,"2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE",DB05736
6666,6666,6666,"CCX915 is developed by ChemoCentryx which targets the chemokine receptor CCR2 and is in phase 1 of clinical trial for the treatment of Multiple Sclerosis and Neurologic Disorders. The CCR2 receptor is thought to be of central importance to inflammatory diseases, such as multiple sclerosis (MS), Type II diabetes and atherosclerosis.",,,Stannsoporfin,DB01567
6667,6667,6667,INCB3284 is a CCR2 antagonist for Inflammation-driven Diseases.,,,Palmitoleic Acid,DB00141
6668,6668,6668,"Pristinamycin IIA is a macrolide antibiotic, a member of the streptogramin A group of antibiotics, and one component of pristinamycin. It is produced by Streptomyces graminofaciens and other bacteria.",CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)C2=COC(=N2)CC(=O)C[C@H](O)\C=C(/C)\C=C\CNC(=O)\C=C\[C@H]1C,,Zidovudine,DB11580
6669,6669,6669,Not Available,[H][C@@](C(=O)NC1=CC=C2C=CC=CC2=C1)(C1=CSC2=C1C=C(Cl)C=C2)P(O)(O)=O,,Amprenavir,DB07970
6670,6670,6670,Ubrogepant is an oral CGRP antagonist used in the acute treatment of migraine with or without aura.,C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC2=NC=CC=C42)C(=O)N1CC(F)(F)F)C1=CC=CC=C1,,Oregovomab,DB04496
6671,6671,6671,Not Available,OC(=O)C1=C(C=CC1)C(=O)NC1=C(F)C(F)=C(C(F)=C1F)C1=CC(OC(F)(F)F)=CC=C1,,4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid,DB06204
6672,6672,6672,Hydrocortisone probutate is a corticosteroid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses.,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(=O)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,3-(2-Aminoethyl)-4-(Aminomethyl)Heptanedioic Acid,DB01727
6673,6673,6673,"The tromethamine (THAM) salt of the naturally occurring prostaglandin F2 alpha, dinoprost tromethamine occurs as a white to off-white, very hygroscopic, crystalline powder. Dinoprost tromethamine may also be known as dinoprost trometamol, PGF2 alpha THAM, or prostaglandin F2 alpha tromethamine.",NC(CO)(CO)CO.CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O,,3-Methylphenylalanine,DB13893
6674,6674,6674,"Bumetanide is a sulfamyl diuretic used to treat edema in congestive heart failure, hepatic and renal disease, and nephrotic syndrome.",CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(N)(=O)=O,,Cinolazepam,DB05956
6675,6675,6675,AVE-1625 is an oral selective and potent antagonist of cannabinoid 1 (CB1) receptors having the same mechanism of action as rimonabant. It is currently developed in obesity and its associated comorbidities. AVE-1625 is also being developed for the treatment of Alzheimer disease.,,,"2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine",DB00215
6676,6676,6676,Not Available,CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=C1,,Nimesulide,DB07406
6677,6677,6677,Not Available,CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1,,Clemastine,DB07611
6678,6678,6678,Not Available,[H][C@]1(CCCN1C(=O)CNC1CCCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Odanacatib,DB06372
6679,6679,6679,Not Available,NCC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C1=CC=C(Cl)C=C1,,Carmustine,DB08143
6680,6680,6680,Not Available,CC1=C(CCC(O)=O)C2=CC3=C(CCC(O)=O)C(C)=C4C=C5[N+]6=C(C=C7N8C(C=C1N2[Fe]68N34)=C([O-])[C@]7(C)CC(O)=O)C(=O)[C@]5(C)CC(O)=O,,INCB-9471,DB01885
6681,6681,6681,"Hexylcaine hydrochloride is also known as cyclaine and osmocaine. It is a short acting local anesthetic that acts through inhibition of sodium channels. Patients experience an overdose may present with headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function. Hexylcaine has been discontinued in the US market.",CC(CNC1CCCCC1)OC(=O)C1=CC=CC=C1,,Guanethidine,DB02136
6682,6682,6682,"Efinaconazole is an antifungal agent used to treat onychomycosis, a fungal infection of the nail.",C[C@@H](N1CCC(=C)CC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,,Ciprofloxacin,DB08877
6683,6683,6683,Not Available,OC(=O)C1=NON=C1O,,Levallorphan,DB03358
6684,6684,6684,Not Available,[H][C@@](CCCC)(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,,MEM 1414,DB06830
6685,6685,6685,Becaplermin is a recombinant form of human platelet-derived growth factor used to treat ulcers due to diabetic neuropathy in the lower extremities when there is adequate blood supply to the area.,,SLGSLTIAEPAMIAECKTRTEVFEISRRLIDRTNANFLVWPPCVEVQRCSGCCNNRNVQCRPTQVQLRPVQVRKIEIVRKKPIFKKATVTLEDHLACKCETVAAARPVT,Phenylbutazone,DB02469
6686,6686,6686,"PX-12 (1-methylpropyl 2-imidazolyl disulfide) is a small-molecule inhibitor of Trx-1 (thioredoxin-1), stimulates apoptosis, down-regulates HIF-1α and vascular endothelial growth factor (VEGF) and inhibits tumor growth in animal models. Since high levels of Trx-1 have been associated with colorectal, gastric and lung cancers, PX-12 is indicated as a potential cancer treatment in combination with chemotherapy for patients with advanced metastatic cancer. Initial trials correlated doses of Px-12 with increased patient survival.",CCC(C)SSC1=NC=CN1,,Aminolevulinic acid,DB02335
6687,6687,6687,Not Available,[H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=C(C)C(Cl)=CC=C1,,Thiarsahydroxy-Cysteine,DB03423
6688,6688,6688,A 17-alkylated orally active androgenic steroid. A Schedule IV drug in Canada.,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2=CC(=O)CC[C@]12C,,Stanozolol,DB07393
6689,6689,6689,Not Available,CC(=O)NC1=C(N)C=C(C=C1O)C(O)=O,,Tyloxapol,DB07412
6690,6690,6690,"Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers. [PubChem]",OC1CCCCC1,,4-(Fluorophenyl)-1-Cyclopropylmethyl-5-(2-Amino-4-Pyrimidinyl)Imidazole,DB05446
6691,6691,6691,Not Available,[H]\C(=C(/[H])C1=CC=CC=C1OC)C(=O)C(O)=O,,"2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide",DB04232
6692,6692,6692,Methysergide is an ergot alkaloid used for the prophylaxis of migraine and cluster headaches.,[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)NC(CC)CO,,alpha-Ketoisovalerate,DB08429
6693,6693,6693,Y-27632 is an inhibitor of Rho-associated protein kinase. It inhibits calcium sensitization to affect smooth muscle relaxation.,[H][C@@]1(CC[C@@H](CC1)C(=O)NC1=CC=NC=C1)[C@@H](C)N,,Vanillic acid,DB11582
6694,6694,6694,Not Available,C\C(C1=CC=C(O1)C1=CC=C(C=C1)S(N)(=O)=O)=C1\SC(=N)NC1=O,,Pibrentasvir,DB04604
6695,6695,6695,Not Available,OC(=O)C(\O)=C/C=C/C(=O)C1=CC=CC=C1,,N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide,DB07599
6696,6696,6696,Not Available,NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)OP(O)(O)=O)N=C2C(=O)N1,,Desulfo-coenzyme A,DB02930
6697,6697,6697,Not Available,CC1=CC=CC(C)=C1NC1=NC=C(N2C=NC=C12)C1=CC=CC=C1,,Sertindole,DB05943
6698,6698,6698,Not Available,[H][C@@](CCCC)(CN(O)C=O)C(O)=O,,"(5R)-2-[(2-Fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5H)-one",DB00136
6699,6699,6699,"Finafloxacin is a fluoroquinolone antibiotic indicated in the treatment of acute otitis externa (swimmer's ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. Finafloxacin is marketed by Novartis under the brand Xtoro™, and was approved by the FDA in December 2014.",[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O,,"6-(Octahydro-1h-Indol-1-Ylmethyl)Decahydroquinazoline-2,4-Diamine",DB07425
6700,6700,6700,Ulipristal is a selective progesterone receptor modulator used for emergency contraception after unprotected intercourse or in a situation where a planned method of contraception has failed.,CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12,,"(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL",DB09148
6701,6701,6701,Not Available,CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1,,"3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DB01415
6702,6702,6702,Revusiran is under investigation in clinical trial NCT02319005 (ENDEAVOUR: Phase 3 Multicenter Study of Revusiran (ALN-TTRSC) in Patients With Transthyretin (TTR) Mediated Familial Amyloidotic Cardiomyopathy (FAC)).,,,(R)-3-hydroxydecanoyl-CoA,DB01734
6703,6703,6703,Not Available,C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1,,Citalopram,DB01050
6704,6704,6704,Etoricoxib is a selective COX-2 inhibitor used to relieve moderate post-surgical dental pain as a short-term treatment and inflammatory and painful symptoms of various forms of arthritis.,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O,,"Methyl 4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranoside",DB14761
6705,6705,6705,Not Available,CC1=CC2=C(C=C1C)N=CN2,,Cardarine,DB03175
6706,6706,6706,Not Available,[H][C@@]1(O)O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]1([H])O,,Prasterone,DB01579
6707,6707,6707,Not Available,OC(=O)COC1=CC(Cl)=CC=C1C(=O)NCC1=CC(=CC=C1)[N+]([O-])=O,,alpha-D-mannose 6-phosphate,DB02940
6708,6708,6708,"Sulfacytine is a short-acting sulfonamide. The sulfonamides are synthetic bacteriostatic antibiotics with a wide spectrum against most gram-positive and many gram-negative organisms. However, many strains of an individual species may be resistant. Sulfonamides inhibit multiplication of bacteria by acting as competitive inhibitors of p-aminobenzoic acid in the folic acid metabolism cycle. Bacterial sensitivity is the same for the various sulfonamides, and resistance to one sulfonamide indicates resistance to all. Most sulfonamides are readily absorbed orally. However, parenteral administration is difficult, since the soluble sulfonamide salts are highly alkaline and irritating to the tissues. The sulfonamides are widely distributed throughout all tissues. High levels are achieved in pleural, peritoneal, synovial, and ocular fluids. Although these drugs are no longer used to treat meningitis, CSF levels are high in meningeal infections.",CCN1C=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NC1=O,,Lonapegsomatropin,DB02041
6709,6709,6709,Not Available,CCOP(=O)(OCC)OCC,,Levobetaxolol,DB07172
6710,6710,6710,"Tazobactam is a beta lactamase inhibitor administered with antibiotics such as piperacillin and ceftolozane to prevent their degradation, resulting in increased efficacy.",[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O,,Eslicarbazepine acetate,DB02751
6711,6711,6711,Not Available,[H]N1C(=O)C=CN([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1=O,,"[4-(1,3,2-Dioxaborolan-2-Yloxy)Methyl]Benzamidine",DB04427
6712,6712,6712,Not Available,COC(=O)CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5N6C(=CC7=C(C)C(CCC(=O)OC)=C8C=C1N2[Fe@@]6(N78)N34)C(C)=C5C=C,,Vadadustat,DB08319
6713,6713,6713,"Anisotropine methylbromide is a quaternary ammonium compound. Its use as treatment adjunct in peptic ulcer has been replaced by the use of more effective agents. Depending on the dose, anisotropine methylbromide may reduce the motility and secretory activity of the gastrointestinal system, and the tone of the ureter and urinary bladder and may have a slight relaxant action on the bile ducts and gallbladder. In general, smaller doses of anisotropine methylbromide inhibit salivary and bronchial secretions, sweating, and accommodation; cause dilatation of the pupil; and increase the heart rate. Larger doses are required to decrease motility of the gastrointestinal and urinary tracts and to inhibit gastric acid secretion.",[Br-].CCCC(CCC)C(=O)O[C@H]1CC2CCC(C1)[N+]2(C)C,,Balanol Analog 1,DB00805
6714,6714,6714,Not Available,C1COCCO1,,"(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol",DB04480
6715,6715,6715,Not Available,CCCCCCCC1=C(O)C2=C(SC=N2)C(=O)C1=O,,Quinapril,DB01087
6716,6716,6716,Not Available,CC1=C(CSCC2=CC=CO2)C(OC2=CC(C)=CC(C)=C2)=C(I)C(=O)N1,,Uridine,DB02905
6717,6717,6717,Not Available,[H][C@]1(CC2=C(NC1=O)C=CC=C2)NC(=O)C1=CC2=C(N1)SC(Cl)=C2,,Acid yellow 54 free acid,DB07273
6718,6718,6718,Trimipramine is a tricyclic antidepressant used to treat depression.,CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12,,Entacapone,DB01049
6719,6719,6719,Not Available,[H][C@@]12CCCN1C(=O)[C@H](CC1=CN=CN1)NC2=O,,Undecyl-Phosphinic Acid Butyl Ester,DB08681
6720,6720,6720,Not Available,CC1=C(C(=O)N(C=C1)C1=CC=C2C(NCC2(C)C)=C1)C1=CC2=CN=C(N)N=C2C=C1,,"3,8-DIBROMO-7-HYDROXY-4-METHYL-2H-CHROMEN-2-ONE",DB03101
6721,6721,6721,Amibegron is an agonist for atypical beta3-adrenoceptors which inhibits intestinal motility.,[H][C@](O)(CN[C@@]1([H])CCC2=C(C1)C=C(OCC(=O)OCC)C=C2)C1=CC(Cl)=CC=C1,,Enalapril,DB00459
6722,6722,6722,Defibrotide is a mixture of single-stranded oligonucleotides used in the treatment of severe hepatic veno-occlusive disease with renal or pulmonary dysfunction following hematopoietic stem-cell transplantation.,,,Rilmenidine,DB04015
6723,6723,6723,Clenbuterol is a decongestant and bronchodilator used in a variety of respiratory conditions.,CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(Cl)=C1,,L-Glutamine,DB07253
6724,6724,6724,Not Available,CC(C)(N)C1=CC=C(C=C1)C1=NC(NC2=CC=C(CCN3CCOCC3)C=C2)=NC=C1Cl,,Thio-Maltopentaose,DB01143
6725,6725,6725,AR-9281 inhibits soluble epoxide hydrolase.,CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2,,Somatrem,DB08036
6726,6726,6726,"Fludiazepam is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a scheduled drug in the U.S., but is approved for use in Japan.",CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,,"5-[1-(Acetylamino)-3-Methylbutyl]-2,5-Anhydro-3,4-Dideoxy-4-(Methoxycarbonyl)Pentonic Acid",DB08798
6727,6727,6727,SPP301 (Avosentan) is a potent and highly selective ET[A] receptor blocker and is clinically investigated in diabetic nephropathy. This study was designed to evaluate whether avosentan influences the pharmacokinetics of steroid oral contraceptives.,,,4-O-methyl-alpha-D-glucuronic acid,DB13877
6728,6728,6728,Not Available,C1CCN(CC1)C1CCNCC1,,JNJ-27390467,DB00387
6729,6729,6729,"Gevokizumab has been used in trials studying the treatment of Acne Vulgaris, Osteoarthritis, Behcet's Uveitis, Pyoderma Gangrenosum, and Behcet's Disease Uveitis, among others. Gevokizumab acts as a modulator of cytokine imbalance in IL-1 mediated disease states. It has a very high binding affinity of 300fM and blocks the activation of IL-1 receptors.",,,PF-477736,DB00072
6730,6730,6730,Pimozide is an antipsychotic used to manage debilitating motor and phonic tics in patients with Tourette's Disorder.,FC1=CC=C(C=C1)C(CCCN1CCC(CC1)N1C(=O)NC2=CC=CC=C12)C1=CC=C(F)C=C1,,Titanium dioxide,DB05205
6731,6731,6731,Not Available,NC[C@@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,,Concanamycin A,DB00590
6732,6732,6732,"S-hydroxycysteine is a solid. This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. It targets the proteins subtilisin BPN', glutathione S-transferase A1, glutathione S-transferase p, myelin P2 protein, and complement c3.",N[C@@H](CSO)C(O)=O,,Guanosine-2'-monophosphate,DB08486
6733,6733,6733,Everolimus is a mammalian target of rapamycin (mTOR) kinase inhibitor used to treat various types of malignancies.,[H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](OCCO)[C@@H](C1)OC,,Octanoyl-Coenzyme A,DB07843
6734,6734,6734,Fluconazole is a triazole antifungal used to treat various fungal infections including candidiasis.,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,,4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE,DB03477
6735,6735,6735,Not Available,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O,,Ergotamine,DB07504
6736,6736,6736,Not Available,CS(=O)(=O)C1=CC(Cl)=C(C=C1Cl)C1=C(Cl)C=C(C(Cl)=C1)S(C)(=O)=O,,"Tricarbonyl(1,10-phenanthroline)rhenium(1+)",DB01268
6737,6737,6737,Not Available,CCO[C@H](CC1=CC=C(OCCN2C3=CC=CC=C3OC3=C2C=CC=C3)C=C1)C(O)=O,,2'-Deoxycytidine,DB01210
6738,6738,6738,Cisapride is a medication used to treat heartburn associated with GERD.,CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C1=CC(Cl)=C(N)C=C1OC,,Manganese cation,DB02701
6739,6739,6739,"Dequalinium is a quaternary ammonium cation antimicrobial agent used to treat common infections of the mouth and throat, as well as vaginal candidiasis.",CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]1=C(C)C=C(N)C2=C1C=CC=C2,,Arabinouridine 3'-phosphate,DB01827
6740,6740,6740,Not Available,CCCOC1=CC2=C(NC=C2C[C@@H](NS(=O)(=O)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2=CC=C(C=C2)C(N)=N)C=C1,,N-(3-carboxypropanoyl)-L-norvaline,DB03854
6741,6741,6741,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC=CC=C1F,,Gluconolactone,DB00720
6742,6742,6742,"A barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)",CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,,"4-(6-{[(4-METHYLCYCLOHEXYL)AMINO]METHYL}-1,4-DIHYDROINDENO[1,2-C]PYRAZOL-3-YL)BENZOIC ACID",DB04457
6743,6743,6743,Not Available,CC(C)(CO)C(=O)C(O)=O,,6-bromopurine,DB08240
6744,6744,6744,Levonordefrin is a topical sympathomimetic amine found in local anesthetic products that is used for nasal decongestion or vasoconstriction during dental procedures.,C[C@H](N)[C@H](O)C1=CC(O)=C(O)C=C1,,2-AMINO-4-CHLORO-3-HYDROXYBENZOIC ACID,DB05422
6745,6745,6745,Not Available,OCCCCCCO,,N-DODECANOYL-L-TYROSINE,DB11703
6746,6746,6746,Not Available,[H]N1C(=O)N([H])C2=C(N([H])C(=O)C(=O)N2C[C@H](O)[C@H](O)[C@H](O)CO)C1=O,,"(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE",DB07607
6747,6747,6747,Not Available,OC(=O)C1=CNC(=N1)C1=CC=CC=C1,,"(2S,3R,4S,5S)-3,4-Dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium",DB04472
6748,6748,6748,Not Available,[H]N([C@@H](CCCCC(=O)N([H])[C@@H]1C(=O)N2[C@@H](C([O-])=O)C(C)(C)S[C@]12[H])C([O-])=O)C(=O)C[N+]([H])([H])[H],,Pramocaine,DB04163
6749,6749,6749,Protein S human is a medication used for emergency reversal of coagulation factor deficiency in vitamin K antagonist therapy.,,MRVLGGRCGALLACLLLVLPVSEANFLSKQQASQVLVRKRRANSLLEETKQGNLERECIEELCNKEEAREVFENDPETDYFYPKYLVCLRSFQTGLFTAARQSTNAYPDLRSCVNAIPDQCSPLPCNEDGYMSCKDGKASFTCTCKPGWQGEKCEFDINECKDPSNINGGCSQICDNTPGSYHCSCKNGFVMLSNKKDCKDVDECSLKPSICGTAVCKNIPGDFECECPEGYRYNLKSKSCEDIDECSENMCAQLCVNYPGGYTCYCDGKKGFKLAQDQKSCEVVSVCLPLNLDTKYELLYLAEQFAGVVLYLKFRLPEISRFSAEFDFRTYDSEGVILYAESIDHSAWLLIALRGGKIEVQLKNEHTSKITTGGDVINNGLWNMVSVEELEHSISIKIAKEAVMDINKPGPLFKPENGLLETKVYFAGFPRKVESELIKPINPRLDGCIRSWNLMKQGASGIKEIIQEKQNKHCLVTVEKGSYYPGSGIAQFHIDYNNVSSAEGWHVNVTLNIRPSTGTGVMLALVSGNNTVPFAVSLVDSTSEKSQDILLSVENTVIYRIQALSLCSDQQSHLEFRVNRNNLELSTPLKIETISHEDLQRQLAVLDKAMKAKVATYLGGLPDVPFSATPVNAFYNGCMEVNINGVQLDLDEAISKHNDIRAHSCPSVWKKTKNS,"5-Chloryl-2,4,6-quinazolinetriamine",DB13874
6750,6750,6750,Not Available,[H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC,,Elbasvir,DB08188
6751,6751,6751,,[H]C(O)=O,,Estazolam,DB07885
6752,6752,6752,Not Available,[O-]S(=O)(=O)C1=CC2=C(C=C1)C(=CC(=C2)S([O-])(=O)=O)S([O-])(=O)=O,,Foscarnet,DB05052
6753,6753,6753,"Efonidipine is a calcium channel blocker of the dihydropyridine class, commercialized by Shionogi & Co. (Japan). Initially, it was marketed in 1995 under the trade name, Landel. The drug has been shown to block T-type in addition to L-type calcium channels 1,2. It has also been studied in atherosclerosis and acute renal failure 2. This drug is also known as NZ-105, and several studies have been done on its pharmacokinetics in animals 13.",CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1,,1-(4-Amidinophenyl)-3-(4-Chlorophenyl)Urea,DB07740
6754,6754,6754,Not Available,CCOC(=O)N1CCC(CC1)NC1=NC=CC(C)=C1,,Propafenone,DB02567
6755,6755,6755,Moroctocog alfa is a recombinant Factor VIII used to treat hemophilia A to control bleeding.,,,"(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid",DB03635
6756,6756,6756,NS-398 is a COX-2 inhibitor. It was developed as part of the mechanistic study of the cyclooxygenases.,CS(=O)(=O)NC1=CC=C(C=C1OC1CCCCC1)[N+]([O-])=O,,"2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One",DB05249
6757,6757,6757,"Gallium maltolate is Titan’s novel oral agent in development for the potential treatment of chronic bacterial infections, bone disease and cancer.",[Ga+3].CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1.CC1=C([O-])C(=O)C=CO1,,EVT-101,DB02883
6758,6758,6758,"Telapristone acetate, an orally-available, selective progesterone receptor modulator, is in development to alleviate symptoms associated with both uterine fibroids and endometriosis.",[H][C@@]12CC[C@](OC(C)=O)(C(=O)COC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H],,"N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE",DB05855
6759,6759,6759,Not Available,CNC1=C(C=C(SC2=NN=CN2C)C=C1)C(=O)NC1=NC(C)=CS1,,Tafasitamab,DB04608
6760,6760,6760,Not Available,COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F,,"4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-PHENOL",DB05317
6761,6761,6761,Telbivudine is a thymidine nucleoside analog used for the treatment of chronic hepatitis B with clinical evidence of viral replication or persistent elevations in serum aminotransferases (ALT or AST).,CC1=CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O,,Enflurane,DB03487
6762,6762,6762,Rivastigmine is a cholinesterase inhibitor used to treat mild to moderate dementia in Alzheimer's and Parkinson's.,CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C,,2-Cyclopropylmethylenepropanal,DB09124
6763,6763,6763,Not Available,[H]N([H])C(=NCCC[C@@H](C=O)[C@H](N([H])C(=O)N1CCN(CC1)C(=O)N([H])C(C)(C)C)C(O)=O)N([H])[H],,"(1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid",DB02147
6764,6764,6764,Not Available,ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1,,Isometheptene,DB01772
6765,6765,6765,Not Available,[H][C@]1(CCCN1C(=O)COC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,4-Morpholin-4-Yl-Piperidine-1-Carboxylic Acid [1-(3-Benzenesulfonyl-1-Propyl-Allylcarbamoyl)-2-Phenylethyl]-Amide,DB02175
6766,6766,6766,Not Available,COC1=CC=C(CCC2=C3N=CNC3=CC3=C2N=C(N)NC3=O)C=C1,,Lithium carbonate,DB08682
6767,6767,6767,Not Available,[H]N(CCC(=O)N([H])[C@@]([H])(CO)C(=O)N([H])CCC1=CC=C(C=C1)N([H])C(=O)C(O)=O)C(=O)CBr,,5-PENTYL-2-PHENOXYPHENOL,DB06654
6768,6768,6768,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O,,Vinblastine,DB12278
6769,6769,6769,Not Available,[H][C@@](N)(C(F)=C1CCCC1)[C@]([H])(CC1CC1)C1=NC(=NO1)C1=CC=C(C=C1Cl)S(C)(=O)=O,,AMP-224,DB01054
6770,6770,6770,"Oliceridine is a biased opioid agonist indicated for the management of severe acute pain in adult patients. Through preferential activation of G-protein-coupled signalling pathways, oliceridine provides analgesic effect with a comparable or improved safety profile over conventional opioid agonists.",COC1=C(CNCC[C@]2(CCOC3(CCCC3)C2)C2=NC=CC=C2)SC=C1,,"(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol",DB01421
6771,6771,6771,Not Available,,,"4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide",DB08342
6772,6772,6772,Methacholine is a parasympathomimetic bronchoconstrictor used to diagnose bronchial hyperreactivity in subjects who do not have clinically apparent asthma.,CC(C[N+](C)(C)C)OC(C)=O,,"(3R)-4-(p-toluenesulfonyl)-1,4-thiazane-3-carboxylicacid-L-phenylalanine ethyl ester",DB07793
6773,6773,6773,Not Available,[H][C@]1(C)SC(=O)NN=C1C1=CC2=C(C=C1)N(CCC2)C(=O)C1=CC(OC)=C(OC)C=C1,,Levoketoconazole,DB09462
6774,6774,6774,Nirsevimab is a long-acting monoclonal antibody indicated for the prevention of respiratory syncytial virus (RSV) lower respiratory tract disease in neonates and infants.,,QVQLVQSGAEVKKPGSSVMVSCQASGGLLEDYIINWVRQAPGQGPEWMGGIIPVLGTVHYGPKFQGRVTITADESTDTAYMELSSLRSEDTAMYYCATETALVVSETYLPHYFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLEGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"6,6-DIMETHYL-1-[3-(2,4,5-TRICHLOROPHENOXY)PROPOXY]-1,6-DIHYDRO-1,3,5-TRIAZINE-2,4-DIAMINE",DB03048
6775,6775,6775,"Regramostim (GM-CSF) is a differentially glycosylated factor produced mainly by activated T cells and macrophages. Endothelial cells and fibroblasts can also produce GM-CSF after exposure to TNF-α, IL-1, IL-2 and IFN-γ. GM-CSF is found associated with extracellular matrix and in membrane-bound formats too. GM-CSF stimulates proliferation, activation and differentiation of macrophages and granulocytes and their progenitors.",,,NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE,DB08390
6776,6776,6776,"Mycobacterial Cell Wall-DNA Complex (MCC) is formulated from Mycobacterium phlei, a non-pathogenic strain of mycobacteria. MCC has been shown to have immune stimulatory and apoptosis (programmed cell death) activity against cancer cells. The product is a sterile biological composition in a sub-micron suspension. It is produced at the Bioniche manufacturing facility in Pointe-Claire, Quebec.",,,Loteprednol etabonate,DB01980
6777,6777,6777,"The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes. [PubChem]",C[C@H](OP(O)(O)=O)[C@@H](N)C(O)=O,,"[4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl]-(3,4,5,6-Tetrahydro-2h-[1,4']Bipyridinyl-4-Yl)-Methanone",DB11311
6778,6778,6778,"Somatotropin is a recombinant human growth hormone used as replacement therapy in various conditions of growth failure, growth hormone deficiency, and weakness in children and adults.",,FPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSLVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF,TB-402,DB01195
6779,6779,6779,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(OP(O)(O)=O)[C@]1([H])O,,Ripretinib,DB00142
6780,6780,6780,Not Available,[H][C@]1(COC2=CC=C(C=C2)C(=O)C2=CC=C(C=C2)C2=CSC=C2)CCCN1,,Ibuprofen,DB06880
6781,6781,6781,Not Available,ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1,,"3-[2,6,8-Trioxo-9-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-purin-7-yl]propyl dihydrogen phosphate",DB06787
6782,6782,6782,Not Available,[H][C@](CC(=O)NC(CC)CC)(C(N)=O)C(C)(C)C,,"2-ETHOXYETHYL (2S,3S)-4-((S)-2-BENZYL-3-OXO-4-((3AR,8R,8AS)-2-OXO-3,3A,8,8A-TETRAHYDRO-2H-INDENO[1,2-D]OXAZOL-8-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE",DB00190
6783,6783,6783,"6-amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. It is known to target queuine tRNA-ribosyltransferase.",NC1=NC2=C(C=C3NC=NC3=C2CCC2=CC=CC=C2)C(=O)N1,,"(9S,10S)-9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene",DB08911
6784,6784,6784,"Meclofenamic acid is an NSAID used to treat mild to moderate pain, primary dysmenorrhea, heavy menstrual blood loss, rheumatoid arthritis, and osteoarthritis.",CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1,,Mercaptomethyl Phosphonate,DB07729
6785,6785,6785,Not Available,SCCC(=O)N1CCC2=C(C1)NC1=C2C=CC=C1,,Eldelumab,DB02122
6786,6786,6786,Not Available,CCCCCCCCCC[N+](C)(C)[O-],,Flibanserin,DB07544
6787,6787,6787,"Ibutilide is a class III antiarrhythmic agent used to correct atrial fibrillation and atrial flutter, which can be considered as an alternative to cardioversion.",CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1,,Sparfosic acid,DB05157
6788,6788,6788,Thiamphenicol is a semisynthetic derivative of chloramphenicol with a broad spectrum of antibacterial activity.,[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(C=C1)S(C)(=O)=O,,Dpb-T,DB04142
6789,6789,6789,Ferrous glycine sulfate is an iron supplement indicated in the treatment of iron deficiency and iron deficiency anemia.,[Fe++].NCC([O-])=O.NCC([O-])=O.OS(O)(=O)=O,,Acetyleneurea,DB08035
6790,6790,6790,Zidovudine is a dideoxynucleoside used in the treatment of HIV infection.,CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC1=O,,Remimazolam,DB01620
6791,6791,6791,Not Available,OC(=O)C1=CC=C(O1)C1=C(C=CC=C1)[N+]([O-])=O,,S-{2-[Amino(Dihydroxy)-Lambda~4~-Sulfanyl]Ethyl}-D-Cysteine,DB08668
6792,6792,6792,Not Available,CCCOC1=CC=C(C=C1)C1=CSC(=C1CC(=O)NC(N)=N)C1=CC=CC=C1Cl,,DL-Methylephedrine,DB08408
6793,6793,6793,Not Available,CCCCOC1=CC=C(C=C1)S(=O)(=O)N1C[C@H](C[C@@H]1C(=O)NO)NS(C)(=O)=O,,1-Testosterone,DB04209
6794,6794,6794,Not Available,CC1=CC=C(N2CCNCC2)C(=C1)S(O)(=O)=O,,Monastrol,DB07256
6795,6795,6795,"MLN2222 is a novel, proprietary recombinant protein that blocks both the C3 and C5 convertases, which are essential components of the complement activation pathway.",,,Maltotetraose,DB16220
6796,6796,6796,Not Available,NC1=CC=CC=C1O,,HOMOPHENYLALANINYLMETHANE,DB13983
6797,6797,6797,Cefiderocol is a cephalosporin antibiotic used in complicated urinary tract infections.,[H][C@]12SCC(C[N+]3(CCNC(=O)C4=C(Cl)C(O)=C(O)C=C4)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C([O-])=O,,Farnesyl thiopyrophosphate,DB04350
6798,6798,6798,Not Available,OCCC1=CC=C(F)C=C1,,Bivatuzumab,DB06925
6799,6799,6799,Not Available,[H]N1C(=O)C(CCC)=C(C2=C1C=CC(Cl)=C2)[S@](=O)C1CCCCC1,,5-Mercaptoethanol-2-decenoyl-coenzyme A,DB11760
6800,6800,6800,Diltiazem is a calcium channel blocker used to treat hypertension and to manage chronic stable angina.,COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O,,Dioxo(sulfanyl)molybdenum,DB03899
6801,6801,6801,Not Available,OC(=O)C1=CC=CC=C1\N=N\C1=CC=C(O)C=C1,,Hexylcaine,DB03710
6802,6802,6802,"Phenserine is under development by Axonyx, a US biopharmaceutical company that focuses on treatments for dementia. Phenserine is a next generation acetylcholinesterase (AChE) inhibitor indicated for the treatment of AD. Unlike currently marketed AChE inhibitors, it has a dual mechanism of action that also includes anti-amyloid activity, which may confer disease-modifying effects in patients with AD. If this is substantiated in an ongoing clinical trial then phenserine may open the door to an entirely new type of treatment for AD. Axonyx announced on 20 September 2005 that phenserine was ineffective in two curtailed phase 3 trials.",[H][C@]12N(C)CC[C@@]1(C)C1=C(C=CC(OC(=O)NC3=CC=CC=C3)=C1)N2C,,Fedratinib,DB03010
6803,6803,6803,Varenicline is a partial agonist at nicotinic acetylcholine receptors used as an aid in smoking cessation.,C1C2CNCC1C1=C2C=C2N=CC=NC2=C1,,"D-Myo-Inositol-1,4-Bisphosphate",DB06924
6804,6804,6804,Not Available,FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=CC=CC=C2)C=C1,,Bis(5-Amidino-2-Benzimidazolyl)Methane Ketone,DB04838
6805,6805,6805,"Sincalide is a diagnostic agent used to stimulate gallbladder contraction or pancreatic secretion during diagnostic tests, and accelerate fluoroscopy and x-ray examination of the intestinal tract.",,,Volanesorsen,DB04455
6806,6806,6806,Pralsetinib is a RET receptor tyrosine kinase inhibitor for the treatment of metastatic RET-driven non-small cell lung cancer.,CO[C@@]1(CC[C@@H](CC1)C1=NC(NC2=NNC(C)=C2)=CC(C)=N1)C(=O)N[C@@H](C)C1=CC=C(N=C1)N1C=C(F)C=N1,,Tapinarof,DB11575
6807,6807,6807,Conivaptan is an antidiuretic hormone inhibitor used to raise serum sodium levels.,CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1,,4-[3-carboxymethyl-3-(4-phosphonooxy-benzyl)-ureido]-4-[(3-cyclohexyl-propyl)-methyl-carbamoyl]butyric acid,DB00774
6808,6808,6808,Not Available,CC1=CC=C(C=C1C1=CC2=C(C=C1)N=C(NCCN1CCOCC1)N=C2)C(=O)NC1CC1,,Human interferon omega-1,DB03501
6809,6809,6809,"AZD3409 is a farnesyl-transferase inhibitor (FAR) indicated for the treatment of solid tumors. Phase I trials were initiated January 2003, and were ongoing as of February 2004. As of February 2007 the development of AZD3409 had been discontinued.",,,Niguldipine,DB06973
6810,6810,6810,"Diminazene, also known as Diminazine, 4,4'-(Diazoamino)benzamidine, 4,4'-(1-triazene-1,3-diyl)bis-benzenecarboximidamide, diminazine aceturate, or Diminazene aceturate, is a trypanocidal agent. Major brands of Diminazene are Berenil, Pirocide, Ganasag, and Azidin. This substance is a solid. This compound belongs to the phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group. Known drug targets of diminazene include HTH-type transcriptional regulator QacR, trypsin-1, amiloride-sensitive amine oxidase [copper-containing], and mitochondrial peroxiredoxin-5.",NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1,,Aluminium monostearate,DB00213
6811,6811,6811,Not Available,NC(=O)C1=CC=CC2=NC=C(N=C12)C1=CC=C(Cl)C=C1,,1-Benzyl-3-(4-Methoxy-Benzenesulfonyl)-6-Oxo-Hexahydro-Pyrimidine-4-Carboxylic Acid Hydroxyamide,DB00739
6812,6812,6812,Not Available,CC1(C)C=C(CSS(C)(=O)=O)C(C)(C)N1O,,Fusicoccin,DB06151
6813,6813,6813,CEP-1347 is a semi-synthetic compound shown to protect multiple nerve cell types from a variety of insults leading to programmed cell death (apoptosis) which could improve the survival of dopamine neurons prior to and after transplantation.,[H][C@@]12C[C@H](C(=O)OOC)[C@](C)(O1)N1C3=C(C=C(CSCC)C=C3)C3=C4CNC(=O)C4=C4C5=C(C=CC(CSCC)=C5)N2C4=C13,,(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE,DB05168
6814,6814,6814,The administration of quinidine derivatives helps to observe various skin and mucosal reactions. A papulopurpuric eruption in a patient (without thrombopenia) can be developed who is taking quinidine phenylethyl barbiturate intermittently and at reintroduction.(PMID: 9739909),CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1.COC1=CC2=C(C=CN=C2C=C1)C(O)C1CC2CCN1CC2C=C,,Pralnacasan,DB00160
6815,6815,6815,Didecyldimethylammonium is a disinfectant and microbicidal agent used in a variety of products.,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,,Erlotinib,DB12978
6816,6816,6816,Racepinephrine is a bronchodilator used to treat intermittent asthma.,,,"(3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE",DB00530
6817,6817,6817,Medrysone is a topical glucocorticoid applied ophthalmically for the treatment of various ocular inflammatory or allergic conditions.,[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C,,Resiquimod,DB03205
6818,6818,6818,"AZD7325 is a high affinity, selective modulator of the GABAA receptor system. 1",CCCNC(=O)C1=C(N)C2=CC=CC(=C2N=N1)C1=C(F)C=CC=C1OC,,"{3-[3-(3,4-Dimethoxy-Phenyl)-1-(1-{1-[2-(3,4,5-Trimethoxy-Phenyl)-Butyryl]-Piperidin-2yl}-Vinyloxy)-Propyl]-Phenoxy}-Acetic Acid",DB14851
6819,6819,6819,Menotropins is a purified combination of human luteinizing hormone and follicle stimulating hormone used to treat female infertility.,,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,octyl beta-D-galactopyranoside,DB01428
6820,6820,6820,Tarenflurbil is an investigational drug that was studied in patients with mild Alzheimer's disease. It is a selective amyloid lowering agent (SALA) that reduces levels of the toxic peptide amyloid beta 42 (Aβ42) in cultured human cells and in animal models. Aβ42 is the primary initiator of neurotoxicity and amyloid plaque development in the brains of Alzheimer's disease patients. In June 2008 development of the drug for Alzheimer's disease was discontinued. Tarenflurbil has also been used in trials studying the treatment of Prostate Cancer.,C[C@@H](C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1,,1-O-Octyl-2-Heptylphosphonyl-Sn-Glycero-3-Phosphoethanolamine,DB00014
6821,6821,6821,Not Available,[H][C@](N)(CS[As](C)(C)=O)C(O)=O,,2-Deoxy-alpha-D-galactopyranose,DB06558
6822,6822,6822,"Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold.
Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures.",CN1CCC2=C(C1)C(C1=CC=CC=C21)C1=CC=CC=C1,,bis(4-nitrophenyl) hydrogen phosphate,DB03321
6823,6823,6823,Not Available,NCC(N)=O,,Selenocysteine,DB06741
6824,6824,6824,Mianserin is a tetracyclic antidepressant with therapeutic activity similar to amitriptyline used to treat depression and anxiety.,CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21,,Thymidine-5'-(dithio)phosphate,DB03526
6825,6825,6825,AT1391 is a daily insulin skin patch designed to provide continuous basal levels of insulin for patients with diabetes.,,,PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE,DB05327
6826,6826,6826,Not Available,COC1=CC=C(O)C(=C1)C1=NC2=C(N1)C=CC(=C2)C(N)=[NH2+],,Bemcentinib,DB08634
6827,6827,6827,Not Available,[H][C@](N)(C[C@]1([H])C=C(NNC2=CC=CC=N2)C(O)=CC1=O)C(O)=O,,IDD552,DB06981
6828,6828,6828,REP8839 is a novel methionyl-tRNA synthetase (MetS) inhibitor being developed by Replidyne (GlaxoSmithKline licensed REP8839 to Replidyne in June of 2003).,,,Quinidine,DB11496
6829,6829,6829,Chloramphenicol succinate is a broad-spectrum antibiotic agent used for the treatment of acute and severe infections caused by susceptible bacterial strains.,O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O,,Fiboflapon,DB00915
6830,6830,6830,Glycine is an amino acid commonly used as a component of total parenteral nutrition and is also used as irrigation during surgery.,NCC(O)=O,,RU78262,DB04525
6831,6831,6831,Not Available,[H][C@@]12CCC[N@@]1[C@@]([H])(C1=CC=C(C=C1)C(N)=[NH2+])[C@@]1([H])C(=O)N(CC3=CC=C(F)C=C3)C(=O)[C@@]21[H],,Acetazolamide,DB13985
6832,6832,6832,Not Available,[H][C@@](CCCC)(CN(O)C=O)C(=O)N1CCC[C@@]1([H])C1=NC2=C(O1)C=CC=C2,,"3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DB06552
6833,6833,6833,Not Available,[H][C@@]1(C[C@]([H])(OC(=O)C2=CC=CC=C2NC)[C@@]([H])(COP(O)(=O)OP(O)(O)=O)O1)N1C=NC2=C(N)N=CN=C12,,Hypromellose,DB07428
6834,6834,6834,"Hydroxyzine is an antihistamine used to treat anxiety and tension associated with psychoneuroses, as well as allergic conditions such as pruritus and chronic urticaria.",OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1,,2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol,DB02352
6835,6835,6835,Not Available,[H][C@](O)(CC(O)=O)C(=O)N[C@@]([H])(CC(C)C)C(=O)NCCC(C)C,,"3-Carbamimidamido-1,1-diphenylurea",DB00444
6836,6836,6836,"Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, obtained from Commiphora abyssinica, Burseraceae.",,,Implitapide,DB03011
6837,6837,6837,"Somatostatin is a natural peptide hormone used to treat acute bleeding from esophageal varices, gastrointestinal ulcers, and gastritis; prevent pancreatic complications after surgery; and restrict secretions of the upper intestine, pancreas, and biliary tract.",C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O,,"3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DB02929
6838,6838,6838,Not Available,NC1=C2N=CN(CCOCP(O)(O)=O)C2=NC=N1,,p-Cumylphenol,DB08538
6839,6839,6839,Not Available,[H][C@@](CO)(NC1=NC2=C(N=CN2C(C)C)C(NC2=CC=C(C(O)=O)C(Cl)=C2)=N1)C(C)C,,"(2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-N-(2-methyl-2-propanyl)-2-piperazineca rboxamide",DB05750
6840,6840,6840,Not Available,CCCCCC[C@](O)(CN1C=CN=C1)C1=CC=C(Cl)C=C1Cl,,(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide,DB05787
6841,6841,6841,"Cangrelor is a P2Y12 platelet receptor antagonist used during percutaneous coronary intervention to reduce the risk for periprocedural myocardial infarction (MI), repeat coronary revascularization, and stent thrombosis (ST).",CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1,,"4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine",DB09332
6842,6842,6842,Mexazolam is a benzodiazepine indicated to treat anxiety with or without psychoneurotic conditions.,CC1COC2(N1CC(O)=NC1=C2C=C(Cl)C=C1)C1=CC=CC=C1Cl,,Vildagliptin,DB07790
6843,6843,6843,Not Available,CC(=O)C1=CC=C(S1)C1=CC(NS(=O)(=O)C2=CC=C(C)C=C2C)=C(S1)C(O)=O,,"N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE",DB02803
6844,6844,6844,Not Available,COC1=CC=CC(=C1)C1=NC2=C(N1)C=CC=C2C(N)=O,,Azimilide,DB00214
6845,6845,6845,Not Available,NC(N)=NC1=CC=C(CNC(=O)NC23CC4CC(CC(C4)C2)C3)C=C1,,Methocarbamol,DB01392
6846,6846,6846,Not Available,[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O,,Abiraterone,DB03670
6847,6847,6847,Not Available,[H]\C(N)=C(/[H])S,,5-Mercapto-2-Nitro-Benzoic Acid,DB05121
6848,6848,6848,Not Available,CCCCCCCOC1=CC=CC(=C1)C(O)=O,,"(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-2-OXOETHANAMINE",DB05120
6849,6849,6849,Not Available,C1=CN(C=N1)[Ru++]123[N]4=CC=CC=C4C4=CC=CC=[N]14.C1=CC(C4=[N]2C=CC=C4)=[N]3C=C1,,6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE,DB06109
6850,6850,6850,"Latrunculin A is an actin binding macrolide purified from the red sea sponge Latrunculia magnifica. It is under investigation for the treatment of cancer. It disrupts actin polymerization, prevents mitotic spindle formation and thus cell replication.",[H][C@]1(CSC(=O)N1)[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)\C=C/C=C/CC\C(C)=C/C(=O)O2)O1,,1(R)-1-Acetamido-2-(3-Carboxyphenyl)Ethyl Boronic Acid,DB01795
6851,6851,6851,Not Available,OC(=O)CCCC[P@]([O-])(=O)OC1=CC=C(C=C1)[N+]([O-])=O,,Carboxymethylcellulose,DB01065
6852,6852,6852,Not Available,[H][C@@]1(C)CN(C(=O)[C@@](C)(O)C(F)(F)F)[C@@]([H])(C)CN1C(=O)C1=CC=C(C=C1)C#N,,D-leucyl-N-(3-chlorobenzyl)-L-prolinamide,DB04108
6853,6853,6853,Iloprost is a synthetic prostacyclin analog used to treat pulmonary arterial hypertension (PAH) and frostbites.,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O,,Equine Botulinum Neurotoxin E Immune FAB2,DB03897
6854,6854,6854,Not Available,CC(C)OC1=CC=C2C(CCC3=C2C2=C(C=NC2=O)C2=C3N(CCO)C3=CC=CC=C23)=C1,,Fumaric acid,DB00944
6855,6855,6855,Besilesomab is a monoclonal antibody bound to technetium-99 used to find infection and inflammation in patients with suspected osteomyelitis.,,,L-Dilinoleoyllecithin,DB07293
6856,6856,6856,"The Food and Drug Administration suspended the marketing authorisation for Survector in 1999 and France withdrew it from the market, however several developing countries continued to produce it up until 2005.",OC(=O)CCCCCCNC1C2=CC=CC=C2CCC2=CC=CC=C12,,(2R)-1-{4-[(4-Anilino-5-bromo-2-pyrimidinyl)amino]phenoxy}-3-(dimethylamino)-2-propanol,DB00147
6857,6857,6857,"Azelnidipine is a dihydropyridine calcium channel blocker. It is marketed by Daiichi-Sankyo pharmaceuticals, Inc. in Japan. It has a gradual onset of action and produces a long-lasting decrease in blood pressure, with only a small increase in heart rate, unlike some other calcium channel blockers 3. It is currently being studied for post-ischemic stroke management 4.",CC(C)OC(=O)C1=C(C)NC(N)=C(C1C1=CC=CC(=C1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1,,"N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide",DB08748
6858,6858,6858,Not Available,CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CNC2N,,Boceprevir,DB00584
6859,6859,6859,Not Available,CC1=CC(=CC=C1)[C@]12SCCN1C(=O)C1=CC=CC=C21,,Mexiletine,DB00724
6860,6860,6860,Citalopram is a selective serotonin reuptake inhibitor (SSRI) used in the treatment of depression.,CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1,,Hesperetin,DB16217
6861,6861,6861,Not Available,CCCCCCCCCC(C)=O,,Bevirimat,DB02559
6862,6862,6862,Sulthiame is a carbonic anhydrase inhibitor used primarily in benign focal epilepsies of childhood that may be useful as an adjunct therapy in a variety of other refractory epilepsies.,NS(=O)(=O)C1=CC=C(C=C1)N1CCCCS1(=O)=O,,Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium,DB08454
6863,6863,6863,Not Available,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,,"(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL",DB02644
6864,6864,6864,Not Available,O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\C=C\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2,,"N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide",DB04622
6865,6865,6865,Not Available,NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1,,Resiniferatoxin,DB07081
6866,6866,6866,Iptacopan is a factor B inhibitor used to treat paroxysmal nocturnal hemoglobinuria.,CCO[C@H]1CCN(CC2=C(OC)C=C(C)C3=C2C=CN3)[C@@H](C1)C1=CC=C(C=C1)C(O)=O,,Tetramethylammonium,DB02388
6867,6867,6867,"Semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O,,Radezolid,DB03631
6868,6868,6868,Not Available,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]([H])(CC1=CC=CC=C1)C(=O)NC,,N-[1H-INDOL-3-YL-ACETYL]VALINE ACID,DB07105
6869,6869,6869,"Metharbital is a barbiturate anticonvulsant, similar to phenobarbital, marketed as Gemonil by Abbott Laboratories. It was patented in 1905 by Emil Fischer of Merck.",CCC1(CC)C(=O)NC(=O)N(C)C1=O,,"6S-5,6,7,8-Tetrahydrobiopterin",DB06342
6870,6870,6870,Not Available,[H]N(CCS(O)(=O)=O)C(=O)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@H](O)[C@H]2N([H])C(C)=O)[C@@H](CO)[N+]1([H])[H],,1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE,DB01409
6871,6871,6871,Not Available,[H][C@@](CC)(C=O)[C@@]1([H])N(CC[C@]1([H])NS(C)(=O)=O)C(=O)[C@@]([H])(NC(=O)OC(C)(C)C)C(C)C,,"3-[[(3R,4S,5S,6R)-7-Benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl]-N-methylbenzamide",DB02761
6872,6872,6872,Not Available,[H][C@](N)(CS[As](O)O)C(O)=O,,Polyethylene glycol 400,DB02843
6873,6873,6873,Not Available,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,Epirubicin,DB05766
6874,6874,6874,Not Available,CC(CN1C=CN=N1)([C@@H](N\C=C\C=O)C(O)=O)[S](=O)=O,,Fluocinonide,DB02871
6875,6875,6875,Not Available,O=C(NC1CC1)NC1=CNN=C1C1=NC2=CC=C(C[NH+]3CCOCC3)C=C2N1,,Peramivir,DB13915
6876,6876,6876,Not Available,CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O,,"3,6-Anhydro-2-(hydrogen sulfate)-alpha-D-galactopyranose",DB03753
6877,6877,6877,Hexafluronium bromide is a neuromuscular blocking agent used in anesthesiology to prolong and potentiate the skeletal muscle relaxing action of suxamethonium during surgery. It is known to bind and block the activity of plasma cholinesterases.,C[N+](C)(CCCCCC[N+](C)(C)C1C2=C(C=CC=C2)C2=C1C=CC=C2)C1C2=C(C=CC=C2)C2=C1C=CC=C2,,Ubiquinone Q2,DB07198
6878,6878,6878,Not Available,CN(CC=C)CC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1,,Flutamide,DB08306
6879,6879,6879,Not Available,[O-][N+](=O)C1=CC(=CC=C1)[N+]([O-])=O,,Vericiguat,DB02170
6880,6880,6880,Not Available,CCOC(=O)N1CCC(CC1)NC1=NC=CC(Cl)=C1,,5-Iodo-2'-Deoxyuridine-5'-Monophosphate,DB11425
6881,6881,6881,Ga 68 PSMA-11 is a radiopharmaceutical agent used in the diagnosis of prostate-specific membrane antigen (PSMA) positive lesions in male patients during positron emission tomography.,[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC(CN(CCN(CC([O-])=O)CC2=C(O)C=CC(CCC([O-])=O)=C2)CC([O-])=O)=C(O)C=C1)C(O)=O)C(O)=O,,"(1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",DB01616
6882,6882,6882,Not Available,NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1,,"(3R)-3-[3,5-Bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide",DB01071
6883,6883,6883,"Vecabrutinib is under investigation in clinical trial NCT03037645 (Safety, PK, PD, and Antitumor Activity of Vecabrutinib (SNS-062) in B Lymphoid Cancers).",NC(=O)[C@H]1CCN(C[C@@H]1N1CCC[C@@H](NC2=CC(=CC(Cl)=C2)C(F)(F)F)C1=O)C1=NC=NC(N)=C1F,,Sucralfate,DB08951
6884,6884,6884,Coccidioides immitis spherule is a skin antigen test for delayed-type hypersensitivity to Coccidioides immitis.,,,Eldecalcitol,DB08254
6885,6885,6885,Not Available,[H][C@]1(O)CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12CCOCC1=CC(F)=CC(F)=C1,,"(2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile",DB04389
6886,6886,6886,Not Available,CCC1=C(SC=C1)C1=CC(O)=C(O)C=C1,,Cidofovir,DB00716
6887,6887,6887,Not Available,OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS,,"1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE",DB01591
6888,6888,6888,Not Available,[H][C@@](CC)(CNC(=O)C1=CC=C(C=C1)S(N)(=O)=O)C1=CC2=C(NC=C2)C=C1,,CRA_9076,DB08711
6889,6889,6889,Not Available,CC(=O)N[C@@H](CCC(N)=O)C(O)=O,,"19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one",DB05642
6890,6890,6890,Dextromethorphan is an NMDA receptor antagonist used to treat cases of dry cough.,[H][C@]12CCCC[C@]11CCN(C)[C@H]2CC2=C1C=C(OC)C=C2,,Velaglucerase alfa,DB01095
6891,6891,6891,Tetrabenazine is a vesicular monoamine transporter 2 (VMAT) inhibitor used for the management of chorea associated with Huntington's Disease.,COC1=C(OC)C=C2C3CC(=O)C(CC(C)C)CN3CCC2=C1,,"N-[4-([(2-Amino-4-oxo-1,4-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]{(2E)-3-[4-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-yl]-2-propenoyl}amino)benzoyl]-L-glutamic acid",DB16900
6892,6892,6892,"Cloxazolam is a benzodiazepine with anxiolytic, sedative/hypnotic, muscle relaxant, and antiepileptic effects. It is marketed in the Argentina, Australia, Portugal, Belgium, Switzerland, Luxembourg, Germany, Taiwan and Japan -- mainly for anti-anxiety. The usual dose of cloxazolam in adults is 3-12mg/day for anti-anxiety. Although less commonly noted, it has also been reported as clinically effective in the treatment of depression, schizophrenia, and neurosis. As well, it has also been studied in Japan in doses of 15-30mg/day as an adjunct in the treatment of intractable epilepsy, for which it has demonstrated effectiveness.",ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1,,Adefovir,DB03495
6893,6893,6893,Piboserod (SB 207266) is a selective 5-HT(4) receptor antagonist.,CCCCN1CCC(CNC(=O)C2=C3OCCCN3C3=CC=CC=C23)CC1,,"9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE",DB16370
6894,6894,6894,Not Available,CCC1=C(C)NN(C1=O)C1=NN=NN1,,"(2R)-N-{4-[Ethyl(phenyl)sulfamoyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide",DB08658
6895,6895,6895,Not Available,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C3N=CNC3=N2)C=C1,,Tartronate,DB14501
6896,6896,6896,Inotuzumab ozogamicin is an antibody-drug conjugate used to treat B-cell precursor acute lymphoblastic leukemia (ALL).,,,Copper oxodotreotide Cu-64,DB07619
6897,6897,6897,Not Available,CC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1,,Entospletinib,DB03439
6898,6898,6898,Not Available,COC1=CC(OC)=CC(NC(=N)NC(N)=N)=C1,,"5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine",DB08179
6899,6899,6899,Ruplizumab is a humanized monoclonal antibody used as an immunosuppressive drug and is a component of Antova.,,,Efpeglenatide,DB02521
6900,6900,6900,Tryptophan is an amino acid commonly found as a component of total parenteral nutrition.,N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,,Progesterone,DB01792
6901,6901,6901,Not Available,OC[C@H](O)[C@H](O)C(=O)CO,,Interferon alfa-2b,DB03260
6902,6902,6902,Zavegepant is a calcitonin gene-related peptide receptor antagonist indicated for the acute treatment of migraine with or without aura.,CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](CC1=CC2=C(NN=C2)C(C)=C1)NC(=O)N1CCC(CC1)C1=CC2=C(NC1=O)C=CC=C2,,Gestodene,DB01026
6903,6903,6903,Not Available,CC(C)(O\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1)C(O)=O,,SP4160,DB00335
6904,6904,6904,The bafilomycins refer to a category of toxic macrolide antibiotics that are derivatives of Streptomyces griseus. These compounds all appear in the same fermentation and have similar biological activity. Bafilomycins are specific inhibitors of vacuolar-type H+-ATPase. (V-ATPase). The most commonly utilized bafilomycin is bafilomycin A1. This is a useful tool as it can prevent the re-acidification of synaptic vesicles once they have undergone exocytosis.,CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C,,"(5S)-5-Iododihydro-2,4(1H,3H)-pyrimidinedione",DB06901
6905,6905,6905,Ethchlorvynol is a sedative hypnotic agent used for the short-term management of insomnia.,CCC(O)(\C=C\Cl)C#C,,Theobromine,DB08507
6906,6906,6906,Not Available,[H][C@]1(N=C(N(C(=O)N2CCNCC2)[C@]1([H])C1=CC=C(Cl)C=C1)C1=C(OC(C)C)C=C(OC)C=C1)C1=CC=C(Cl)C=C1,,V24343,DB13999
6907,6907,6907,Not Available,ClC1=CC=C2OC(NS(=O)(=O)C3=CC(Cl)=CC=C3Cl)=NC2=C1,,6-oxouridine 5'-phosphate,DB08570
6908,6908,6908,Triclocarban is an antibacterial agent used in liquid soaps and body washes.,ClC1=CC=C(NC(=O)NC2=CC(Cl)=C(Cl)C=C2)C=C1,,Adenosine 5'-methylenediphosphate,DB02287
6909,6909,6909,Not Available,COC1=CC(\C=C\C(=O)SCCNC(=O)CCNC(=O)C2(O)[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H](O)[C@@H]3OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)C2(C)C)=CC(OC)=C1O,,1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID,DB09229
6910,6910,6910,Not Available,[H][C@](N)(CCC1=CC=CC=C1)C(C)=O,,Deucravacitinib,DB01110
6911,6911,6911,Not Available,OC1=CC=C(C=C1)N1C=CN=C1,,N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID,DB07165
6912,6912,6912,Not Available,[H]N([H])C(=O)[C@H](C)N([H])C(=O)[C@H](C)N([H])C(=O)OC(C)(C)C,,(R)-carnitinyl-CoA betaine,DB08964
6913,6913,6913,Not Available,[H][C@](C)(CC)[C@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)NCCC)C(=O)N1CCC[C@@]1([H])C(=O)OCC1=CC=CC=C1,,Protamine sulfate,DB07979
6914,6914,6914,Abrocitinib is a kinase inhibitor used to treat moderate-to-severe atopic dermatitis in adults.,CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C1=C2C=CNC2=NC=N1,,(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid,DB11613
6915,6915,6915,Not Available,OC1=C(\C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)C=CC=C1[N+]([O-])=O,,Cephalothin Group,DB07050
6916,6916,6916,"MYO-029 is a human anti-GDF-8 monoclonal antibody, which is being developed to treat muscle-wasting diseases including muscular dystrophy and age-related sarcopenia.",,,Tetracaine,DB00054
6917,6917,6917,Gatifloxacin is a fourth generation fluoroquinolone used to treat a wide variety of infections in the body.,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1,,N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide,DB08015
6918,6918,6918,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])F,,2-[3-({Methyl[1-(2-Naphthoyl)Piperidin-4-Yl]Amino}Carbonyl)-2-Naphthyl]-1-(1-Naphthyl)-2-Oxoethylphosphonic Acid,DB08461
6919,6919,6919,AT7519 is a selective inhibitor of certain Cyclin Dependent Kinases (CDKs) leading to tumour regression. It is developed by Astex for the treatment of solid tumours and haematological malignancies.,ClC1=CC=CC(Cl)=C1C(=O)NC1=CNN=C1C(=O)NC1CCNCC1,,Homoserine Lactone,DB06599
6920,6920,6920,Not Available,CCCCN1C(CC2=CC3=C(OCO3)C=C2)=NC2=C(N)N=CN=C12,,Symmetric dimethylarginine,DB02082
6921,6921,6921,Not Available,[H][C@]1(N)CCC2=CC=CC=C2[C@]1([H])O,,N-Heptylformamide,DB02573
6922,6922,6922,Phenothiazine (PTZ) is an organic thiazine compound.,N1C2=CC=CC=C2SC2=CC=CC=C12,,Halothane,DB08093
6923,6923,6923,"Homatropine is an anticholinergic agent used to dilate the pupil, treat inflammation of the uveal tract, and suppress a cough.",[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)C1=CC=CC=C1)N2C,,Cobicistat,DB02044
6924,6924,6924,Not Available,,,LG-100268,DB02135
6925,6925,6925,Not Available,CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(CN1C(C)=NC3=C1C=CC=C3)=C2,,Terazosin,DB11936
6926,6926,6926,Not Available,N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)C1=CC=C(I)C=C1)C(=O)NCC(O)=O)C(O)=O,,"N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine",DB04629
6927,6927,6927,GW-3965 is a liver X receptor ligand.,OC(=O)CC1=CC=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1,,4-[(6-Amino-4-Pyrimidinyl)Amino]Benzenesulfonamide,DB02719
6928,6928,6928,"Bendazac is a non-steroidal anti-inflammatory drug (NSAID) available as an eye drop for the treatment of cataracts and as a topical cream for the treatment of dermatitis, eczema, hives, skin ulcers and other inflammatory skin conditions.",OC(=O)COC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12,,4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide,DB01671
6929,6929,6929,Narsoplimab is an anti-MASP-2 antibody currently being investigated for use in transplant-associated thrombotic microangiopathies and IgA nephropathy.,,,Etizolam,DB08066
6930,6930,6930,Not Available,CC[C@@H](CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=C1C=C(OC)C=C2,,Patupilone,DB13869
6931,6931,6931,Spiramycin is a macrolide antimicrobial agent used in the treatment of various bacterial infections.,[H][C@@]1(CC[C@@H]([C@@H](C)O1)N(C)C)O[C@H]1\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O[C@@]3([H])C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@H]1C,,Isobutyric acid,DB04562
6932,6932,6932,Not Available,CC(=O)N[C@H](CC1=CC=C(Cl)C=C1)[B-](O)(O)OC[C@H](N)C(O)=O,,UC-781,DB01282
6933,6933,6933,Not Available,[H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO,,Hydrocortisone butyrate,DB12843
6934,6934,6934,Allylestrenol is a steroid used to prevent premature labour in pregnant women.,[H][C@@]12CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H],,"REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE",DB07766
6935,6935,6935,"An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.",COC(=O)C1=CCCN(C)C1,,2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID,DB07387
6936,6936,6936,A beta-adrenergic antagonist that has been used in the emergency treatment of cardiac arrhythmias.,CC(C)NCC(O)COC1=CC=C(NC(C)=O)C=C1,,N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE,DB06699
6937,6937,6937,Not Available,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)[N+]1=CNC2=C1NC(=O)NC2=O,,Fluorescein,DB01001
6938,6938,6938,Follitropin is a form of recombinant human follicle stimulating hormone used to stimulate follicle development in women with primary ovarian hypogonadism and in men with hypogonadotropic hypogonadism.,,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,Suprofen,DB05541
6939,6939,6939,"Theobromine (3,7-dimethylxanthine) is the principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)",CN1C=NC2=C1C(=O)NC(=O)N2C,,Blinatumomab,DB03195
6940,6940,6940,"Aflibercept is a vascular endothelial growth factor (VEGF) inhibitor used to treat Neovascular (Wet) Age-Related Macular Degeneration (AMD), various types of macular edema and diabetic retinopathy, and metastatic colorectal cancer",,SDTGRPFVEMYSEIPEIIHMTEGRELVIPCRVTSPNITVTLKKFPLDTLIPDGKRIIWDSRKGFIISNATYKEIGLLTCEATVNGHLYKTNYLTHRQTNTIIDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEKDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG,"1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE",DB03298
6941,6941,6941,"Idelalisib is an antineoplastic kinase inhibitor used to treat chronic lymphocytic leukemia (CLL), relapsed follicular B-cell non-Hodgkin lymphoma (FL), and relapsed small lymphocytic lymphoma (SLL).",[H][C@@](CC)(NC1=NC=NC2=C1N=CN2)C1=NC2=CC=CC(F)=C2C(=O)N1C1=CC=CC=C1,,M-Aminophenylboronic Acid,DB05298
6942,6942,6942,Sulfoxone is a water-soluble sulfone used as an antileprosy drug. It has been used with limited success in the treatment of dermatitis herpetiformis.,OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1,,Pentanal,DB09029
6943,6943,6943,Not Available,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=CC3=CC=C(Cl)C=C3C=C2)C1=O)C(=O)N1CCOCC1,,Dihydroxyacetone,DB11447
6944,6944,6944,Not Available,[H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O,,2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid,DB06908
6945,6945,6945,Technetium Tc-99m tilmanocept is a radiopharmaceutical diagnostic imaging agent indicated with or without scintigraphic imaging for lymphatic mapping and guiding sentinel lymph node biopsy.,,,Rolitetracycline,DB00986
6946,6946,6946,Sulfinpyrazone is a platelet inhibitory and uricosuric agent used to inhibit thrombotic and embolic processes and to manage the chronic phases of gout .,O=C1C(CCS(=O)C2=CC=CC=C2)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1,,"1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine",DB07918
6947,6947,6947,Not Available,[H][C@](C)(O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1,,N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE,DB06905
6948,6948,6948,"Uracil is an antineoplastic agent used in combination with tegafur to treat various cancers, including breast, prostate, and liver cancer.",O=C1NC=CC(=O)N1,,(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE,DB07226
6949,6949,6949,Not Available,OC1=C(O)C=C2C=CNC2=C1,,GSK-364735,DB00131
6950,6950,6950,Not Available,COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C(C)=C2CC(O)=O,,Mercuric iodide,DB04707
6951,6951,6951,"Amobarbital is a barbiturate derivative used for the induction of sedation during procedures, short-term management of insomnia, and acute management of refractory tonic-clonic seizures.",CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,,Cupric Chloride,DB04885
6952,6952,6952,Not Available,ClC1=CC=C(NC(=S)OCCN2C(=O)C3=C(C=CC=C3)C2=O)C=C1,,Eszopiclone,DB01359
6953,6953,6953,Peginterferon beta-1a is an interferon beta used to treat relapsing forms of multiple sclerosis.,,MSYNLLGFLQRSSNFQCQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEMLQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHLKRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLRN,"5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE",DB04605
6954,6954,6954,Not Available,[H]N(C)C(=O)C1=C(C)N([H])C(\C=C2/C(=O)N([H])C3=C2C=C(Cl)C=C3)=C1C,,TO-901317,DB04187
6955,6955,6955,Not Available,[H][C@@]1(CC(=O)N(CC2=CC=CC=C2)CN1S(=O)(=O)C1=CC=C(OC)C=C1)C(=O)NO,,(R)-methylmalonyl-CoA,DB00002
6956,6956,6956,"Ranitidine is a histamine H2 antagonist used to treat duodenal ulcers, Zollinger-Ellison syndrome, gastric ulcers, GERD, and erosive esophagitis.",CNC(NCCSCC1=CC=C(CN(C)C)O1)=C[N+]([O-])=O,,"[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen hex-5-enylphosphonate",DB15114
6957,6957,6957,Propiverine is an antimuscarinic agent used to treat urinary incontinence or increased urinary frequency or urgency.,CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,,Acetylcysteine,DB07168
6958,6958,6958,Not Available,N[C@@H](CCC(=O)NO)C(O)=O,,3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide,DB08572
6959,6959,6959,Not Available,[H][C@]1(COP(O)(O)=O)O[C@]([H])(N2C=NC3=C2C=CC(C)=C3)[C@]([H])(O)[C@]1([H])O,,"2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID",DB09119
6960,6960,6960,Not Available,COC(=O)C1=C(C=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=C1)C(F)(C(O)=O)C(O)=O,,Galsulfase,DB13943
6961,6961,6961,Not Available,OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O,,GSK-1059615,DB06441
6962,6962,6962,Mepivacaine is a local anesthetic used for local or regional analgesia or anesthesia.,CN1CCCCC1C(=O)NC1=C(C)C=CC=C1C,,Naluzotan,DB00822
6963,6963,6963,Besifovir dipivoxil is a small-molecule orally available inhibitor of the HBV polymerase. The HBV polymerase is the enzyme that catalyzes the production of new RNA from the existing strand of RNA. Besifovir dipivoxil is believed to inhibit viral proliferation by interrupting the replicating machinery of the virus.,CC(C)(C)C(=O)OCOP(=O)(COC1(CN2C=NC3=CN=C(N)N=C23)CC1)OCOC(=O)C(C)(C)C,,Eletriptan,DB01099
6964,6964,6964,Not Available,[H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)NC2=C(O)C(=CC=C2O)C(O)=O)[C@]31[H],,Ritonavir,DB08834
6965,6965,6965,Not Available,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C(N[C@@H](CC(O)=O)C(O)=O)N=CN=C12,,"M-(N,N,N-Trimethylammonio)-2,2,2-Trifluoro-1,1-Dihydroxyethylbenzene",DB02681
6966,6966,6966,Not Available,[H][C@]12CC[C@]([H])(C1)C(=O)C2,,Piroxicam,DB07278
6967,6967,6967,Not Available,CC(=O)NC1=CNN=C1C(=O)NC1=CC=C(F)C=C1,,Butorphanol,DB03307
6968,6968,6968,Metenkefalin is an investigational endogenous opioid being studied for the treatment of COVID-19.,CSCC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O,,"HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM",DB03505
6969,6969,6969,Not Available,FC1=CC=C(C=C1)N1N=C(C=C1NS(=O)(=O)C1=CC=CC(F)=C1)C1=CC=CS1,,"2-[3-chloro-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide",DB02715
6970,6970,6970,Not Available,OCC(CO)OP(O)(O)=O,,"[[(3R,4R,5S,6R)-3-(butanoylamino)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate",DB09123
6971,6971,6971,N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide is a solid. This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids. This medication targets the protein prothrombin.,[H][C@]1(CCCN1C(=O)CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,Sertaconazole,DB05685
6972,6972,6972,Chlormerodrin is a mercurial compound with toxic side effects that was previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. It is no longer used and has been replaced with new classes of diuretic drugs.,COC(CNC(N)=O)C[Hg]Cl,,"1,1'-HEXANE-1,6-DIYLBIS(1H-IMIDAZOLE)",DB12255
6973,6973,6973,Not Available,N(C1=CC=CC=C1)C1=NC2=CC=NN2C(NC2=CC=CC=C2)=N1,,S-777469,DB09118
6974,6974,6974,Not Available,CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1F,,sn-glycero-3-phosphoethanolamine,DB03100
6975,6975,6975,Rolapitant is a neurokinin-1 (NK-1) receptor antagonist used in combination with other antiemetics for the prevention of delayed nausea and vomiting associated with emetogenic chemotherapy.,C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)C1=CC=CC=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F,,Peginterferon alfa-2b,DB03700
6976,6976,6976,Not Available,[H][C@]1(NC(=O)CNC(=O)C2=C(COC)SC(=N2)[C@@H](NC(=O)C2=C(C)SC(=N2)[C@H](CC(=O)NC)NC(=O)C2=CSC(=N2)C2=CC=C(N=C2C2=CSC(=N2)C2=CSC1=N2)C1=NC(=CS1)C1=N[C@@H](CO1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C)[C@@H](O)C1=CC=CC=C1,,Esmirtazapine,DB06970
6977,6977,6977,"A four-carbon sugar that is found in algae, fungi, and lichens. It is twice as sweet as sucrose and can be used as a coronary vasodilator. [PubChem]",OC[C@H](O)[C@@H](O)CO,,Aplaviroc,DB04028
6978,6978,6978,Not Available,CCCCCCC(C)(C)C1=CC(O)=C2[C@H]3CC(CO)=CC[C@@H]3C(C)(C)OC2=C1,,Desflurane,DB09290
6979,6979,6979,"Sulfasalazine is a salicylate used to treat Crohn's disease, ulcerative colitis, and rheumatoid arthritis.",OC(=O)C1=CC(=CC=C1O)\N=N\C1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=C1,,"(2R,3R)-2,3-Dihydroxy-4-oxo-4-(propylamino)butanoic acid",DB07385
6980,6980,6980,"Ardeparin, marketed under the US trade name Normiflo, is a low molecular weight heparin (LMWH) anticoagulant used for the prevention of postoperative venous thrombosis. Ardeparin is derived via peroxide degradation of heparin extracted from porcine intestinal mucosa. Its molecular weight ranges from 2000 to 15,000 with an average molecular weight of 5500 to 6500. Normiflo was withdrawn from the US market in March 2000.",,,"(4S)-5-Fluoro-4-hydroxy-3,4-dihydro-2(1H)-pyrimidinone",DB01333
6981,6981,6981,,[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,Anisindione,DB00585
6982,6982,6982,Not Available,OC(=O)C1=C(NC2=CC=C(Cl)C=C2)N=CC=C1,,"S-[(1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate",DB07678
6983,6983,6983,"Dimethyltubocurarinium (INN) or metocurine (USAN), also known as dimethyltubocurarine, is a non-depolarizing muscle relaxant. Patients on chronic anticonvulsant drugs are relatively resistant to metocurine. 1",[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CC[N+]1(C)C)C2=C6)=C(OC)C=C5)=CC(OC)=C4OC)C=C3,,cis-Vaccenic acid,DB03779
6984,6984,6984,"Tegafur-uracil is an anti-tumor compound containing tegafur (1-(2-tetrahydrofuryl)-5-fluorouracil) and uracil in a molar ratio of 1:4. It was developed as an anti-cancer therapy by Taiho Pharmaceutical Co Ltd.1 It is approved in different countries but it is not yet approved by the FDA, Health Canada or EMA.",O=C1NC=CC(=O)N1.FC1=CN(C2CCCO2)C(=O)NC1=O,,Rilapladib,DB02422
6985,6985,6985,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)C=O,,"(3Z,6S)-6-Chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-2-piperidinyl]ethyl}imino)-2-piperazinol",DB14518
6986,6986,6986,Not Available,NS(=O)(=O)C1=CC=C(C=C1)N1N=C(C=C1C1=CC=C(Br)C=C1)C(F)(F)F,,Lefamulin,DB01145
6987,6987,6987,Not Available,[H][C@]12CC[C@]([H])(C1)[C@](N)(C(=O)C1=CC=CC=C1)[C@]2([H])C1=CC=CC=C1,,"Gamma-Arsono-Beta, Gamma-Methyleneadenosine-5'-Diphosphate",DB02876
6988,6988,6988,Not Available,OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl,,Ethambutol,DB00865
6989,6989,6989,"Alvocidib is a synthetic flavonoid based on an extract from an Indian plant for the potential treatment of cancer. It works by inhibiting cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.",CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl,,Rilonacept,DB04544
6990,6990,6990,Not Available,CC(C)(C)N1N=C(CC2=CC(O)=CC=C2)C2=C1N=CN=C2N,,N-[4-(4-nitrophenylphospho)butanoyl]-D-alanine,DB05268
6991,6991,6991,Not Available,[H]N([H])C(=NCCC[C@H](N([H])C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)C(=O)C1=NC2=CC=CC=C2S1)N([H])[H],,Glutathionylspermidine disulfide,DB05915
6992,6992,6992,Not Available,OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O,,Thymidine monophosphate,DB00172
6993,6993,6993,Elbasvir is an antiviral and NS5A inhibitor used to treat hepatitis C infections.,[H][C@]1(CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C1=NC=C(N1)C1=CC2=C(C=C1)N1[C@@H](OC3=C(C=CC(=C3)C3=CN=C(N3)[C@]3([H])CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)C1=C2)C1=CC=CC=C1,,TMC-310911,DB02720
6994,6994,6994,"A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity. [PubChem]",CCNC(=O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N,,Batimastat,DB03350
6995,6995,6995,Not Available,[H][C@@](CC(C)C)(NC(=O)C1=CC=CO1)C(=O)N[C@@]([H])(CC1=CNC2=C1C=CC=C2)P(O)(O)=O,,Carfilzomib,DB03583
6996,6996,6996,Metamfetamine is a sympathomimetic agent used in the treatment of attention deficit hyperactivity disorder (ADHD) and exogenous obesity.,CN[C@@H](C)CC1=CC=CC=C1,,Idelalisib,DB03968
6997,6997,6997,Cusatuzumab is a CD70-directed monoclonal antibody under investigation for the treatment of hematological malignancies.,,,Bis-Napthyl Beta-Ketophosphonic Acid,DB04085
6998,6998,6998,Not Available,OC[C@H]1C[C@@H](S\C(=N/OS(O)(=O)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O,,[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile,DB02097
6999,6999,6999,Not Available,[H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=CC=CC(O)=C21)C1=CC=C(O)C=C1,,"3,8-Diamino-6-Phenyl-5-[6-[1-[2-[(1,2,3,4-Tetrahydro-9-Acridinyl)Amino]Ethyl]-1h-1,2,3-Triazol-5-Yl]Hexyl]-Phenanthridinium",DB08063
7000,7000,7000,Not Available,,,"N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide",DB04336
7001,7001,7001,Not Available,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=O)[C@@]2([H])CC(CC[C@]12C)=NOCCN,,Chymostatin,DB00477
7002,7002,7002,Not Available,[H][C@](O)(COC1=CC=C(NC2=NC=NC(NC3=C(F)C=CC(=C3)C(F)(F)F)=C2)C=C1)CN(C)C,,"5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide",DB02049
7003,7003,7003,"The anti-obesity drug, V24343, acts by targeting the CB1 receptor in the brain and suppressing a person's appetite.",,,Dasabuvir,DB01321
7004,7004,7004,Sevoflurane is a inhalation anaesthetic agent used for induction and maintenance of general anesthesia during surgical procedures.,FCOC(C(F)(F)F)C(F)(F)F,,3-Bromo-7-Nitroindazole,DB00183
7005,7005,7005,Sotrovimab is a monoclonal antibody for the treatment of mild-to-moderate COVID-19 in patients at increased risk for death or hospitalization.,,,"4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE",DB08846
7006,7006,7006,Methylergometrine is an ergot alkaloid used to prevent and control uterine atony and hemorrhage before and after delivery.,[H][C@@]12CC3=CNC4=CC=CC(=C34)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO,,"3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide",DB09063
7007,7007,7007,Not Available,[H][C@](C)(NC(=O)CCS)C(O)=O,,N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE,DB00752
7008,7008,7008,"Sibutramine is a norepinephrine, serotonin and dopamine reuptake inhibitor indicated to assist with weight loss in obesity.",CC(C)CC(N(C)C)C1(CCC1)C1=CC=C(Cl)C=C1,,Tiratricol,DB06460
7009,7009,7009,Not Available,CCCC[C@H](N)P(O)(O)=O,,Stearic acid,DB00050
7010,7010,7010,Not Available,FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1,,AUNP-12,DB05188
7011,7011,7011,Ivosidenib is an isocitrate dehydrogenase-1 inhibitor used to treat acute myeloid leukemia and cholangiocarcinoma in adults with a susceptible IDH1 mutation.,[H][C@@](N(C(=O)[C@]1([H])CCC(=O)N1C1=NC=CC(=C1)C#N)C1=CC(F)=CN=C1)(C(=O)NC1CC(F)(F)C1)C1=C(Cl)C=CC=C1,,Montelukast,DB06772
7012,7012,7012,Not Available,NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Ruplizumab,DB07623
7013,7013,7013,Not Available,OCCONC(=O)C1=CC=C(F)C(F)=C1NC1=CC=C(C=C1F)C#C,,3-{[(1r)-1-Benzyl-2-Sulfanylethyl]Amino}-3-Oxopropanoic Acid,DB07807
7014,7014,7014,"Although leptin is a circulating signal that reduces appetite, in general, obese people have an unusually high circulating concentration of leptin. These people are said to be resistant to the effects of leptin, in much the same way that people with type 2 diabetes are resistant to the effects of insulin. Thus, obesity develops when people take in more energy than they use over a prolonged period of time, and this excess food intake is not driven by hunger signals, occurring in spite of the anti-appetite signals from circulating leptin. The high sustained concentrations of leptin from the enlarged fat stores result in the cells that respond to leptin becoming desensitized.",,,Alectinib,DB00297
7015,7015,7015,"Talnetant (SB-223,412) is a neurokinin 3 receptor antagonist developed by GlaxoSmithKline, which is being researched for several different functions, primarily for irritable bowel syndrome and as a potential antipsychotic drug for the treatment of schizophrenia.",CCC(NC(=O)C1=C(O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,,Dimethyl fumarate,DB05319
7016,7016,7016,Indecainide is a rarely used antidysrhythmic. Indecainide has local anesthetic activity and belongs to the membrane stabilizing (Class 1) group of antiarrhythmic agents; it has electrophysiologic effects characteristic of the IC class of antiarrhythmics.,CC(C)NCCCC1(C(N)=O)C2=CC=CC=C2C2=CC=CC=C12,,5-beta-D-ribofuranosylnicotinamide adenine dinucleotide,DB11156
7017,7017,7017,Not Available,OC1=C(Br)C=C(\C=N\NC(=O)C2=CC=CC(Br)=C2)C(O)=C1Br,,Vecuronium,DB00588
7018,7018,7018,Not Available,OCC1=CC=C(F)C=C1F,,Voxilaprevir,DB07150
7019,7019,7019,"Tolmetin is an NSAID used to treat acute flares of various painful conditions and used for the long term management of osteoarthritis, rheumatoid arthritis, and juvenile arthritis.",CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1,,N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide,DB06245
7020,7020,7020,Not Available,[H][C@](CCCCCCCCCCCC)(CC(O)=O)OC(=O)CCCCCCCCCCCC,,Cibacron Blue,DB03112
7021,7021,7021,Not Available,CC(C)CN1C2=C(N=CN2)C(=O)N(C)C1=O,,Ifosfamide,DB07704
7022,7022,7022,Not Available,CC1=NN=C(O1)C1=CC=C(C)C(=C1)C1=CC=C(C=C1)C(=O)NC1=CC(=CC=C1)C#N,,ISS-1018,DB02515
7023,7023,7023,Not Available,OC(=O)C1=CC=C(O1)C1=CC=CC=C1Cl,,Etiocholanedione,DB04009
7024,7024,7024,Not Available,FC(F)(F)C1=CC=CC=C1S(=O)(=O)NNC(=O)C1=CC2=CC(Cl)=CC=C2O1,,"(5S,7R,8S,9S,10R)-3-Amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione",DB02633
7025,7025,7025,Not Available,N[C@@H](CSP(O)(O)=O)C(O)=O,,Rolapitant,DB07665
7026,7026,7026,Not Available,CN(NC(=O)OC(C)(C)C)C#N,,Floxuridine,DB05282
7027,7027,7027,Not Available,O=CCC1=CC=CC=C1,,P-Nitrophenol,DB01086
7028,7028,7028,An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.,[H][C@]1(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,"N-[(E)-3-[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitrobenzamide",DB01606
7029,7029,7029,Not Available,OC(=O)C1=C(O)C(O)=CC=C1,,Selatogrel,DB01664
7030,7030,7030,Tezampanel is an AMPA receptor antagonist.,[H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O,,Albiglutide,DB03804
7031,7031,7031,Not Available,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,,Desipramine,DB01949
7032,7032,7032,SU-11652 is a tyrosine kinase inhibitor.,CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(Cl)C=C3)=C1C,,5-Hydroxymethyl-Chonduritol,DB03218
7033,7033,7033,Not Available,COC(=O)[C@@H](N)CC1=CC=CC=C1,,Cordycepin Triphosphate,DB03850
7034,7034,7034,"Tetrathiomolybdate is an oral, small-molecule, anticopper agent that is highly specific for lowering the levels of free copper in serum. COPREXA has completed pivotal clinical trials for the treatment of neurologic Wilson's disease. It is also developed for fibrotic disorders based upon the rationale that the fibrotic disease process is dependent upon the availability of free copper in the body.",[S-][Mo]([S-])(=S)=S,,1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone,DB07905
7035,7035,7035,A synthetic purine nucleoside analogue with potential antineoplastic activity.,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)\C1=C/F,,Sotrovimab,DB08595
7036,7036,7036,"Pleconaril is an antiviral drug from viral capsid inhibitor class, manufactured by Schering-Plough and intended for the prevention of acute asthma exacerbations and common cold symptoms in asthmatic patients who have had exposure to picornavirus. It acts by inhibiting viral replication. The use of pleconaril has not gained approval by the U.S. Food and Drug Administration (FDA) due to the fact that it has been found to induce CYP3A enzyme activity, therefore increasing the risk for serious drug interactions.",CC1=NOC(CCCOC2=C(C)C=C(C=C2C)C2=NOC(=N2)C(F)(F)F)=C1,,N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID,DB02873
7037,7037,7037,"XL784 is a potent inhibitor of the ADAM-10 metalloprotease enzyme, a target of significant interest because of its important role in blood vessel formation and cell proliferation. XL784 was specifically optimized to be MMP-1 sparing, thus potentially enhancing its safety profile and enabling higher dosing compared with other previously studied metalloprotease inhibitors. Results of single dose Phase I clinical trials of XL784 administered orally to 96 healthy volunteers have demonstrated that XL784 has attractive safety and pharmacokinetic profiles. It is being developed by Exelixis, Inc.",,,Folic acid,DB02878
7038,7038,7038,Not Available,CC(C)(CO)[C@@H](O)C([O-])=O,,Fluconazole,DB01352
7039,7039,7039,"Girentuximab is a monoclonal chimeric (mouse/human) antibody directed against carbonic anhydrase IX, an antigen expressed in 95% of clear cell renal cell carcinomas (RCC).",,,Bisphenol A diglycidyl ether,DB07444
7040,7040,7040,"(S)-propane-1,2-diol is a clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.",C[C@H](O)CO,,PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID,DB12191
7041,7041,7041,"A chemically stable, cytidine analog that displays anti-tumor properties. It acts as a transition state analog inhibitor of cytidine deaminase by binding to the active site as covalent hydrates. Also shown to inhibit DNA methylation and tumor growth both in vitro and in vivo.",OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC=NC1=O,,(S)-atrolactic acid,DB01382
7042,7042,7042,"Repinotan is a high-affinity, selective, full agonist of the 5HT1A-receptor subtype with neuroprotective properties.",O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C2=CC=CC=C12,,"N,N-[2,5-O-Dibenzyl-glucaryl]-DI-[1-amino-indan-2-OL]",DB01156
7043,7043,7043,"Thalidomide is a medication used to treat cancers, particularly newly diagnosed multiple myeloma, and erythema nodosum leprosum.",O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12,,Indolepropionic acid,DB08672
7044,7044,7044,Not Available,C[As](C)(O)=O,,4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE,DB00557
7045,7045,7045,Not Available,OC(=O)C1=CC=C2C(=C1)N(CC(=O)N1CCOCC1)C(=C2C1CCCCC1)C1=CC=CC=C1,,"2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid",DB12741
7046,7046,7046,Not Available,NC1N=C2C=CC=CC2=N1,,5-Phosphoribosyl-1-(Beta-Methylene) Pyrophosphate,DB00247
7047,7047,7047,"Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). In Japan, the company Mochida started its commercialization for the treatment of depression started in 1989.",CN1CCC2=C(C1)C1=CC=CC=C1CC1=CC=CC=C21,,Doripenem,DB14009
7048,7048,7048,An semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA).,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,,Phenylpropanolamine,DB00844
7049,7049,7049,Not Available,CCOC1=C(C(=O)NCB(O)O)C2=C(C=CC=C2)C=C1,,Levosalbutamol,DB03881
7050,7050,7050,Not Available,NC1=C(\N=N\C2=CC=C(O)C=C2)C(N)=NN1,,"5-Heptyl-6-hydroxy-1,3-benzothiazole-4,7-dione",DB02984
7051,7051,7051,Not Available,[H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC,,(R)-Propylene glycol,DB07280
7052,7052,7052,Cortisone acetate is a steroid hormone used for the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses and endocrine disorders associated with inadequate production of steroid hormones.,[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,1-Methyl-2-quinolone,DB00502
7053,7053,7053,Not Available,[H][C@@]12C[C@@](CO)(CO[C@]1([H])C1=CC=C(O)C=C1)CC=C2C,,Coltuximab ravtansine,DB08912
7054,7054,7054,"Tesevatinib has been used in trials studying the treatment of Cancer, Stomach Cancer, Brain Metastases, Esophageal Cancer, and Leptomeningeal Metastases, among others.",COC1=C(OC[C@H]2C[C@H]3CN(C)C[C@H]3C2)C=C2N=CN=C(NC3=CC=C(Cl)C(Cl)=C3F)C2=C1,,Pentolinium,DB11732
7055,7055,7055,Not Available,NCCN1CCOCC1,,N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE,DB08055
7056,7056,7056,Not Available,[H][C@](CCC(O)=O)(NS(=O)(=O)C1=CC2=C(C=C1)C=C(OCCCCC)C=C2)C(O)=O,,"2-[3-(5-Mercapto-[1,3,4]thiadiazol-2yl)-ureido]-N-methyl-3-pentafluorophenyl-propionamide",DB08071
7057,7057,7057,Pirtobrutinib is a kinase inhibitor used to treat relapsed or refractory mantle cell lymphoma (MCL) after at least two lines of systemic therapy.,COC1=C(C=C(F)C=C1)C(=O)NCC1=CC=C(C=C1)C1=NN([C@@H](C)C(F)(F)F)C(N)=C1C(N)=O,,Clobetasol propionate,DB04574
7058,7058,7058,Not Available,NC(=[NH2+])C1=CC2=C(C=C1)N=C(CC1=NC3=C(N1)C=C(C=C3)C([NH3+])=[NH2+])N2,,Neostigmine,DB08409
7059,7059,7059,Not Available,[H]N([H])[C@@H](CCCN([H])C(\N([H])[H])=[N+](/[H])CCC)C(O)=O,,Maleic acid,DB00199
7060,7060,7060,Loteprednol etabonate is a corticosteroid used to treat allergic conjunctivitis as well as inflammation and pain after ocular surgery.,[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Aminosalicylic acid,DB03274
7061,7061,7061,C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of estradiol to resemble testosterone but less one carbon at the 19 position. It is a schedule III drug in the U.S.,[H][C@@]12CC[C@H](OC(=O)CCC3=CC=CC=C3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H],,Nifurtimox,DB01047
7062,7062,7062,Not Available,CCOC(=O)C1=C(C)N([NH+]=C1C)C1=CC=CC=C1,,4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid,DB02516
7063,7063,7063,Quinupristin is an antibiotic agent used in the treatment of serious vancomycin-resistant Enterococcus faecium bacteremia as well as complicated skin and skin structure infections.,[H][C@@]12CCCN1C(=O)[C@@H](CC)NC(=O)[C@@H](NC(=O)C1=NC=CC=C1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@]1([H])CC(=O)[C@]([H])(CS[C@@H]3CN4CCC3CC4)CN1C(=O)[C@H](CC1=CC=C(C=C1)N(C)C)N(C)C2=O)C1=CC=CC=C1,,"(2R)-3-[(tetrahydroxyphosphoranyl)oxy]-1,2-propanediyl dibutanoate",DB12753
7064,7064,7064,"Anisomycin (sometimes known as flagecidin), is an antibiotic retrieved from the bacteria Streptomyces griseolus. This drug acts to inhibit bacterial protein and DNA synthesis.",[H][C@]1(O)CN[C@]([H])(CC2=CC=C(OC)C=C2)[C@]1([H])OC(C)=O,,Deoxyuridine-5'-Diphosphate,DB09239
7065,7065,7065,"PRO 542 belongs to a new class of drugs, viral-entry inhibitor, which is intended to prevent HIV from entering and infecting cells. PRO 542 (CD4-immunoglobulin G2) is a tetravalent CD4-immunoglobulin fusion protein that broadly neutralizes primary HIV-1 isolates.",,,Pilaralisib,DB00513
7066,7066,7066,Not Available,NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1,,JNJ-37822681,DB07483
7067,7067,7067,Selegiline is a monoamine oxidase inhibitor used to treat major depressive disorder and Parkinson's.,C[C@H](CC1=CC=CC=C1)N(C)CC#C,,"(2S)-1-(Dimethylamino)-3-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenoxy)-2-propanol",DB08326
7068,7068,7068,"Pegademase is a modified form of bovine adenosine deaminase used to treat adenosine deaminase deficiency, a condition which leads to the formation of adenosine metabolites which are cytotoxic to lymphocytes.",,MAQTPAFNKPKVELHVHLDGAIKPETILYYGRKRGIALPADTPEELQNIIGMDKPLSLPEFLAKFDYYMPAIAGCREAVKRIAYEFVEMKAKDGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVSLVNQGLQEGERDFGVKVRSILCCMRHQPSWSSEVVELCKKYREQTVVAIDLAGDETIEGSSLFPGHVKAYAEAVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGYHTLEDATLYNRLRQENMHFEVCPWSSYLTGAWKPDTEHPVVRFKNDQVNYSLNTDDPLIFKSTLDTDYQMTKNEMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYGMPSPASAEQCL,Xamoterol,DB01136
7069,7069,7069,Isometheptene is a sympathomimetic used to relieve painful spasms in combination with other agents such as caffeine and metamizole.,CNC(C)CCC=C(C)C,,Ferulic acid,DB03146
7070,7070,7070,"A long-acting, non selective, calcium channel blocker with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist. It is no longer marketed in the United States, as it has been implicated in causing ventricular arrhythmias (ie. Torsade de pointes).",CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,,Tetrazolyl Histidine,DB02598
7071,7071,7071,Proguanil is a medication indicated for prophylaxis and treatment of Plasmodium falciparum malaria.,CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1,,"N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE",DB07577
7072,7072,7072,Not Available,FC1=CC=C2OCC[C@]3(NC(=O)NC3=O)C2=C1,,Istaroxime,DB08784
7073,7073,7073,Teplizumab is a CD3-directed monoclonal antibody indicated to delay the onset of Stage 3 type 1 diabetes in patients with Stage 2 type 1 diabetes.,,QVQLVQSGGGVVQPGRSLRLSCKASGYTFTRYTMHWVRQAPGKGLEWIGYINPSRGYTNYNQKVKDRFTISRDNSKNTAFLQMDSLRPEDTGVYFCARYYDDHYCLDYWGQGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Diacerein,DB08132
7074,7074,7074,Not Available,[H][C@](N)(CSCC[B-](O)(O)O)C(O)=O,,"(2S)-({(5Z)-5-[(5-Ethyl-2-furyl)methylene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}amino)(4-fluorophenyl)acetic acid",DB05095
7075,7075,7075,Not Available,[H][C@](N)(CC1=C(O)NC2=CC=CC=C12)C(O)=O,,"(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-beta-D-glucopyranoside",DB06831
7076,7076,7076,"Chlorobutanol, or chlorbutol, is an alcohol-based preservative with no surfactant activity 5. It also elicits sedative-hypnotic and weak local anesthetic actions in addition to antibacterial and antifungal properties. Similar in nature to chloral hydrate, it is formed by the simple nucleophilic addition of chloroform and acetone.",CC(C)(O)C(Cl)(Cl)Cl,,"N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE",DB07832
7077,7077,7077,Not Available,COC1=CC=C(C[C@H](NC(=O)CC(C)(C)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)C=C1,,Amylmetacresol,DB08776
7078,7078,7078,Dorzolamide is a carbonic anhydrase inhibitor used to treat high intraocular pressure in ocular hypertension and open angle glaucoma.,CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Alanine,DB08358
7079,7079,7079,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=CC(F)=C(F)C(F)=C1,,GW 468816,DB02316
7080,7080,7080,Doravirine is a non-nucleoside reverse transcriptase inhibitor used in combination with other antiretrovirals to treat HIV-1 infections.,CN1C(=O)NN=C1CN1C=CC(=C(OC2=CC(=CC(Cl)=C2)C#N)C1=O)C(F)(F)F,,Ferrous glycine sulfate,DB08248
7081,7081,7081,Voriconazole is a triazole compound used to treat fungal infections.,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1,,N-(Chlorophenyl)-N'-hydroxyguanidine,DB07848
7082,7082,7082,Not Available,CCCCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC,,Lanreotide,DB06358
7083,7083,7083,Lapatinib is an antineoplastic agent and tyrosine kinase inhibitor used for the treatment of advanced or metastatic HER-positive breast cancer in patients who received prior chemotherapeutic treatments.,CS(=O)(=O)CCNCC1=CC=C(O1)C1=CC2=C(C=C1)N=CN=C2NC1=CC(Cl)=C(OCC2=CC(F)=CC=C2)C=C1,,2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE,DB00721
7084,7084,7084,Chenodeoxycholic acid is a bile acid used for the treatment of primary biliary cirrhosis.,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O,,Acifluorfen,DB03472
7085,7085,7085,"Sulfamethoxazole is an oral sulfonamide antibiotic, given in combination with trimethoprim, used to treat a variety of infections of the urinary tract, respiratory system, and gastrointestinal tract.",CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1,,Tripelennamine,DB01074
7086,7086,7086,Tildrakizumab is an interleukin-23 antagonist used to treat moderate to severe plaque psoriasis.,,QVQLVQSGAEVKKPGASVKVSCKASGYIFITYWMTWVRQAPGQGLEWMGQIFPASGSADYNEKFEGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARGGGGFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,"4,6-Dideoxyglucose",DB04372
7087,7087,7087,Alirocumab is a PCSK9 inhibitor used as an adjunct to manage heterozygous familial hypercholesterolemia or clinical atherosclerotic cardiovascular disease in patients who require additional lowering of LDL-cholesterol (LDL-C).,,,Cinnarizine,DB11693
7088,7088,7088,Not Available,NCCCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,,"3,20-Pregnanedione",DB04882
7089,7089,7089,Threonine is an amino acid commonly found as a component of total parenteral nutrition.,C[C@@H](O)[C@H](N)C(O)=O,,Methyl-[4-(4-Piperidine-1-Ylmethyl-Phenyl)-Cyclohexyl]-Carbaminic Acid-(4-Chlorophenyl)-Ester,DB01829
7090,7090,7090,Not Available,COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1,,Meclofenamic acid,DB08150
7091,7091,7091,Not Available,COC1=CC=C(CCN(C)CCC[C@@](C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1OC,,"Adenosine-5'-[Beta, Gamma-Methylene]Triphosphate",DB16582
7092,7092,7092,Not Available,[Fe].[H][C@@]1(CCCN(O)C(C)=[OH+])NC(=O)CNC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@]([H])(CCCN(O)C(C)=[OH+])NC(=O)[C@]([H])(CCCN(O)C(C)=[OH+])NC1=O,,"5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",DB03951
7093,7093,7093,Not Available,[H][C@@](CC(C)C)(NC(=O)[C@]1([H])CSCCN1S(=O)(=O)C1=CC=C(C)C=C1)C(O)=O,,Arbaclofen,DB04075
7094,7094,7094,Not Available,OB(O)C1=CC=CC=C1,,Lactulose,DB07949
7095,7095,7095,Revefenacin is an anticholinergic agent used to treat COPD.,CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(N)=O)C=C1,,Sinapic acid,DB07582
7096,7096,7096,Not Available,OC(=O)CSC1=NC(=NO1)C1=CC=CC(Cl)=C1,,"(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate",DB04689
7097,7097,7097,"An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.",NC1=NC=NC2=C1C=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,,"6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE",DB05785
7098,7098,7098,Not Available,CC1=NC2=C(CSCC2)C(=O)N1,,2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID,DB04094
7099,7099,7099,"Calcium carbimide, sold as the citrate salt, is an alcohol-sensitizing agent. Its effects are similar to the drug disulfiram (Antabuse) in that it interferes with the normal metabolism of alcohol by preventing the breakdown of the metabolic product acetaldehyde. Calcium carbimide was conceived as an alternative for the treatment of alcoholism with a reduced side effect profile either when it is consumed accompanied by alcohol or without it.1 This drug was developed by Lederle Cyanamid Canada Inc and approved for marketing in Canada in 1959. The current status of calcium carbimide is cancelled post marketing.8",[Ca++].[N-]=C=[N-],,Piceatannol,DB06290
7100,7100,7100,Flavin adenine dinucleotide is a coenzyme form of vitamin B2 used in clinical conditions associated with vitamin B2 deficiency.,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,,"{[(2,2-Dihydroxy-Ethyl)-(2,3,4,5-Tetrahydroxy-6-Phosphonooxy-Hexyl)-Amino]-Methyl}-Phosphonic Acid",DB06098
7101,7101,7101,Cladribine is a purine antimetabolite used to treat Multiple Sclerosis (MS) and hairy cell leukemia.,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC(Cl)=N1,,4-Piperidino-Piperidine,DB01836
7102,7102,7102,Citicoline is an endogenous intermediate in the formation of phosphatidylcholine from choline which is thought to have neuroprotective effects.,C[N+](C)(C)CCOP([O-])(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,,Nadolol,DB12688
7103,7103,7103,Osimertinib is a tyrosine kinase inhibitor used in the treatment of certain types of non-small cell lung carcinoma.,COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C,,"Carboxymethylthio-3-(3-Chlorophenyl)-1,2,4-Oxadiazol",DB12235
7104,7104,7104,"Nidufexor is under investigation in clinical trial NCT03804879 (Safety, Tolerability and Efficacy of LMB763 in Patients With Diabetic Nephropathy).",CN1N=C(C(=O)N(CC2=CC=CC=C2)CC2=CC=C(C=C2)C(O)=O)C2=C1C1=C(OC2)C=CC(Cl)=C1,,1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA,DB03557
7105,7105,7105,Not Available,NC1=NC=CC(=N1)C1=CC2=C(ON=C2C=C1)C1=CC=C(Cl)C=C1,,6-phenyl-4(R)-(7-phenyl-heptanoylamino)-hexanoic acid,DB07001
7106,7106,7106,"Ibrutinib is an antineoplastic agent used to treat chronic lymphocytic leukemia, mantle cell lymphoma, and Waldenstrom's Macroglobulinemia.",NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1,,Mefenamic acid,DB01876
7107,7107,7107,Enflurane is a halogenated inhalational anesthetic agent used for the induction and maintenance of anesthesia and for analgesia during labor and delivery.,FC(F)OC(F)(F)C(F)Cl,,[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER,DB00180
7108,7108,7108,Not Available,[H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(CC[C@@]2([H])CC1)NC(=O)OCC(O)=O)C1=CC=C(NC(C)=O)C=C1,,Deoxyuridine monophosphate,DB03005
7109,7109,7109,Efbemalenograstim alfa is a granulocyte-colony stimulating factor used to treat prevent chemotherapy-induced neutropenia.,,TPLGPASSLPQSFLLKCLEQVRKIQGDGAALQEKLCATYKLCHPEELVLLGHSLGIPWAPLSSCPSQALQLAGCLSQLHSGLFLYQGLLQALEGISPELGPTLDTLQLDVADFATTIWQQMEELGMAPALQPTQGAMPAFASAFQRRAGGVLVASHLQSFLEVSYRVLRHLAQPGSGGGSGGGGSGGGGSVECPPCPAPPVAGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTFRVVSVLTVVHQDWLNGKEYKCKVSNKGLPASIEKTISKTKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Phenytoin,DB06945
7110,7110,7110,Not Available,[H]N(\C(=C/C1=CC=C(OC2=CC=CC=C2Br)C=C1)C(O)=O)C(=O)C1=CC=CC=C1,,"Naphthalene-2,6-disulfonic acid",DB06858
7111,7111,7111,"CCR5 mAb is a fully human monoclonal antibody that specifically recognizes and binds the chemokine receptor CCR5, which is known to be a key facilitator of infection with human immunodeficiency virus (HIV-1). It was generated by HGS using the Abgenix XenoMouse technology.",,,Indoleacetic acid,DB03224
7112,7112,7112,Not Available,OC1=CC2=C(C=C1)N=C(S2)C1=NC(=O)CS1,,AMG-131,DB07703
7113,7113,7113,Not Available,COC1=CC2=C(C=C1)N=CN2,,Mercaptopurine,DB12662
7114,7114,7114,Human immunoglobulin G is a purified form of human immunoglobulin G and other proteins used to treat immunodeficiency and a wide variety of autoimmune disorders.,,PSALTQPPSASGSLGQSVTISCTGTSSDVGGYNYVSWYQQHAGKAPKVIIYEVNKRPSGVPDRFSGSKSGNTASLTVSGLQAEDEADYYCSSYEGSDNFVFGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATEVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECSPLVLQESGPGLVKPSEALSLTCTVSGDSINTILYYWSWIRQPPGKGLEWIGYIYYSGSTYGNPSLKSRVTISVNTSKNQFYSKLSSVTAADTAVYYCARVPLVVNPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPQPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPQVKFNWYVDGVQVHNAKTKPREQQYNSTYRVVSVLTVLHQNWLDGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL,D-naphthyl-1-acetamido boronic acid alanine,DB12783
7115,7115,7115,Bioperine has been used in trials studying the treatment of Multiple Myeloma and Deglutition Disorders.,O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1,,2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER,DB02578
7116,7116,7116,"Levoleucovorin is a folate analog used after high dose methotrexate for osteosarcoma, to reduce the toxic effects of folate analogs, and with 5-fluorouracil in palliative treatment of advanced metastatic colorectal cancer.",NC1=NC(=O)C2=C(NC[C@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1,,Malonic acid,DB08274
7117,7117,7117,"Cerulenin is an antifungal agent whose activity interferes with or otherwise acts to prevent the formation of fatty acids and sterols. In fatty acid synthesis, reported to bind in equimolar ratio to b-keto-acyl-ACP synthase. In sterol synthesis, inhibits HMG-CoA synthetase activity. It is also shown to inhibit feeding and induce dramatic weight loss in mice. It is found naturally in the Cephalosporium caerulensfungus.",[H][C@]1(O[C@]1([H])C(=O)CC\C=C\C\C=C\C)C(N)=O,,Methotrimeprazine,DB08242
7118,7118,7118,Not Available,OP(O)(=O)OCCNS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1,,"4,6-O-(1-Carboxyethylidene)-Beta-D-Glucose",DB05413
7119,7119,7119,Capmatinib is a kinase inhibitor targeting c-Met receptor tyrosine kinase in the treatment of non-small cell lung cancer with MET exon 14 skipping.,CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1,,1-Benzyl-(R)-Propylamine,DB07039
7120,7120,7120,Ibandronate is a bisphosphonate used to treat osteoporosis in postmenopausal women.,CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O,,"4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME",DB09477
7121,7121,7121,Not Available,NC(=N)C1=CC2=C(C=C1)N=C(N2)C(=O)C1=NC2=C(N1)C=CC(=C2)C(N)=N,,Technetium Tc-99m nofetumomab merpentan,DB00673
7122,7122,7122,"Dipyrithione, a bactericidal and fungicidal pyrithione derivate, was formulated as Crimanex anti-dandruff shampoo, but is no longer available.6 It is currently used as a pesticide, and not used in any FDA approved drug products.3",[O-][N+]1=CC=CC=C1SSC1=CC=CC=[N+]1[O-],,Dihomo-gamma-linolenic acid,DB04978
7123,7123,7123,"An antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids. It acts by interfering with the enzymatic steps involved in the conversion of acetate to hydroxymethylglutaryl coenzyme A as well as inhibiting the activity of HYDROXYMETHYLGLUTARYL COA REDUCTASES which is the rate limiting enzyme in the biosynthesis of cholesterol.",CC(O)(CC(O)=O)CC(O)=O,,Sulfadiazine,DB01211
7124,7124,7124,Not Available,NC(=N)C1=CC2=C(C=C1)N=C(N2)C1=CC(CC[NH3+])=CC(=C1O)C1=CC=CC=C1,,Podofilox,DB03641
7125,7125,7125,Not Available,COC1=CC(=C([O-])C(=C1)C1=CC2=CC(=CC=C2N1)C(N)=[NH2+])C1=CC=CC=C1,,Trifluoroacetonyl coenzyme A,DB05361
7126,7126,7126,Not Available,CN1C(=O)C(=CC2=CN=C(NC3=CC=CC(CO)=C3)N=C12)C1=C(Cl)C=CC=C1Cl,,Bupropion,DB09238
7127,7127,7127,Not Available,CCCCCN,,N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanyl-L-alaninamide,DB03435
7128,7128,7128,Not Available,CC1=NC(N)=NC(CNS(=O)(=O)C2=CC(N\C=C3/CCOC3=O)=CC=C2)=C1,,Malonyl-CoA,DB03991
7129,7129,7129,"Meloxicam is an NSAID used to treat osteoarthritis in adults, rheumatoid arthritis in adults, and juvenile rheumatoid arthritis in pediatrics.",CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O,,"4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid",DB01419
7130,7130,7130,Not Available,O[C@@H]1[C@@H](O)[C@H](CO[V](O)(=O)=O)O[C@H](OP(O)(O)=O)[C@H]1O,,"[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid",DB11359
7131,7131,7131,Not Available,ClC1=CC=C(C=C1)C1=NNC(=C1)C1CCNCC1,,Dihydrotachysterol,DB02696
7132,7132,7132,Not Available,[H][C@@](OC(C)=O)(C(=O)NC1=CC=CC2=C1C(=O)C(=O)NC2=O)C1=CC=CC=C1,,N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine,DB09289
7133,7133,7133,"Dilmapimod has been used in trials studying the treatment and diagnostic of Nerve Trauma, Inflammation, Pain, Neuropathic, Arthritis, Rheumatoid, and Coronary Heart Disease, among others. Dilmapimod (SB-681323) is a p38 MAP-kinase inhibitor that has potential uses in inflammatory conditions such as RA (Rheumatoid Arthritis). Previous p38 MAP-kinase inhibitors have been hindered in development by liver toxicity. Methotrexate (common treatment for RA patients) also has potential liver toxicity.}",CC1=CC(F)=CC=C1C1=C2C=CC(=O)N(C2=NC(NC(CO)CO)=N1)C1=C(F)C=CC=C1F,,6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE,DB00932
7134,7134,7134,Not Available,CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12,,SGX-523,DB01935
7135,7135,7135,Not Available,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O,,"16,17-Androstene-3-Ol",DB00408
7136,7136,7136,Not Available,COC1=C(\C=N\NC(=O)C2=CC(O)=C(O)C=C2)C2=CC=CC=C2C=C1,,Doxofylline,DB09227
7137,7137,7137,Not Available,O=N(=O)C1=CC=CC(=C1)\N=C1\N=CCC(=N1)C1=CC=CC(CN2C=NC=N2)=C1,,Rilpivirine,DB04057
7138,7138,7138,Not Available,[H][C@@](CC(C)C)(CC(=O)NO)C(=O)N[C@@]1([H])CC2=CN(CCCCCCNC1=O)C1=C2C=CC=C1,,"2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE",DB07931
7139,7139,7139,Vonicog alfa is a recombinant human von Willebrand factor used to treat and prevent bleeding and surgical bleeding in adults with von Willebrand disease.,,,VIR201,DB05001
7140,7140,7140,Lebrikizumab is an IgG4 monoclonal antibody against IL-13 used to treat moderate-to-severe atopic dermatitis in adults and adolescents.,,QVTLRESGPALVKPTQTLTLTCTVSGFSLSAYSVNWIRQPPGKALEWLAMIWGDGKIVYNSALKSRLTISKDTSKNQVVLTMTNMDPVDTATYYCAGDGYYPYAMDNWGQGSLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Cyclotheonamide A,DB07439
7141,7141,7141,Not Available,CN1CCN(CCN2C=NC3=C(NC4CCCCC4)N=C(N=C23)C#N)CC1,,Eculizumab,DB01030
7142,7142,7142,Not Available,FC(F)(F)C1=CC(NC(=O)NC2=CC=C(OC3=CC=NC=C3)C=C2)=CC=C1,,KB001,DB09167
7143,7143,7143,Dasiglucagon is a glucagon analog used to treat severe hypoglycemia in pediatric and adult patients with diabetes.,,,"(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE",DB00196
7144,7144,7144,Not Available,COC1=CC=C(C=C1)C1=C(C2=C(N)N=CN=C2O1)C1=CC=C(NC(=O)NC2=C(F)C=CC(=C2)C(F)(F)F)C=C1,,Dexamethasone,DB00880
7145,7145,7145,Not Available,CN1CCN(CC1)C1=CC=C(C=C1)C1=CC2=C(NC=C2NC(=O)C2=CN=CC=C2)N=C1,,(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid,DB02642
7146,7146,7146,Not Available,OC1=C([C@@H](C2CC2)C2=CC=CC(NS(=O)(=O)C3=CC=CC=C3)=C2)C(=O)OC2=C1CCCCCC2,,2-Carboxyethylphosphonic Acid,DB09336
7147,7147,7147,Not Available,O[P@@](=O)(OCC1CCCCC1)OC1=C(C=O)C=CC=C1,,Moricizine,DB06777
7148,7148,7148,Echinacoside is a phenylethanoid glycoside plant isolate currently being investigated for anti-apoptotic and neuroprotective effects.,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O,,"1-(2-Chlorophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester",DB04382
7149,7149,7149,Raxibacumab is a monoclonal antibody used in conjunction with an antibacterial regimen to treat patients with inhalational anthrax caused by Bacillus anthracis and for prophylaxis of inhalational anthrax when appropriate.,,,"3-Fluoro-4-{[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)acetyl]amino}benzoic acid",DB03758
7150,7150,7150,Not Available,O\N=C1\C(\NC2=C\1C=CC=C2)=C1\C(=O)NC2=C1C=CC=C2,,"(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate",DB06366
7151,7151,7151,Bufexamac is an NSAID used to treat skin conditions like atopic eczema and inflammatory dermatoses.,CCCCOC1=CC=C(CC(=O)NO)C=C1,,"1-(N-Imidazolyl)-2-Hydroxy-2-(2,3-Dichlorophenyl)Octane",DB03997
7152,7152,7152,Pimecrolimus is a topical calcineurin inhibitor used in the treatment of mild-moderate atopic dermatitis who are not candidates for other types of therapy due to previous lack of response or other reasons.,[H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC,,Cefepime,DB08122
7153,7153,7153,Not Available,CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=C1,,Liraglutide,DB08256
7154,7154,7154,Not Available,CCCCOC1=CC2=CC=C(C=C2C=C1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O,,Tisotumab vedotin,DB06827
7155,7155,7155,"Aceprometazine is a is a drug with neuroleptic and anti-histamine properties. Although not widely prescribed, it is used in combination with meprobamate for the treatment of sleep disorders in France under the trade name Mepronizine.",CC(CN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O)N(C)C,,Indapamide,DB05418
7156,7156,7156,Not Available,[H][C@]1(C)CC2=C(C(=O)C3=C(O2)C=C(O)C(O)=C3C(O)=O)[C@]([H])(OC)O1,,Cefalotin,DB02899
7157,7157,7157,Not Available,CN(C)CCSCC1=C2N=C(N)NC(=O)C2=CC(N)=C1,,Clevidipine,DB12747
7158,7158,7158,"A dicarboxylic acid monoamide obtained by formal condensation between the amino group of cis-4-aminocyclohexanecarboxylic acid and the cyclopentanecarboxylic acid group of 1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentanecarboxylic acid. A potent inhibitor of neutral endopeptidase (NEP, neprilysin, EC 3.4.24.11), it is used as its 2,3-dihydro-1H-inden-5-yl ester prodrug in the treatment of chronic heart failure.",COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O,,"[2-(5-Mercapto-[1,3,4]thiadiazol-2-ylcarbamoyl)-1-phenyl-ethyl]-carbamic acid benzyl ester",DB03825
7159,7159,7159,Not Available,O[Mo+6](O)=O,,"Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]",DB00475
7160,7160,7160,"Gemcitabine is a nucleoside metabolic inhibitor used as adjunct therapy in the treatment of certain types of ovarian cancer, non-small cell lung carcinoma, metastatic breast cancer, and as a single agent for pancreatic cancer.",NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,,Binimetinib,DB04679
7161,7161,7161,Not Available,CC(=O)NC1=CC=C2OCCOCCOC3=C(OCCOCCOC2=C1)C=CC=C3,,Amatuximab,DB01209
7162,7162,7162,Not Available,N[C@@H](CCCNC(N)=[NH2+])C(N)=O,,CRA_10656,DB01117
7163,7163,7163,Not Available,CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1,,Hydrocortamate,DB07457
7164,7164,7164,Not Available,[H]\C(C[C@@]([H])(OC)[C@@]([H])(C)C(=O)CC[C@]([H])(C)[C@]([H])(C[C@]1([H])OC(=O)C[C@@]([H])(O)C[C@]([H])(O)CC(=O)[C@]([H])(C)[C@]([H])(OC)C2=COC(=N2)C2=COC(=N2)C2=COC(=N2)\C([H])=C([H])\CC[C@@]1([H])C)OC)=C(\[H])N(C)CO,,4-Deoxy-Alpha-D-Glucose,DB02347
7165,7165,7165,"Lovastatin is an HMG-CoA reductase inhibitor used to lower LDL cholesterol and reduce the risk of cardiovascular disease and associated conditions, including myocardial infarction and stroke.",[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC,,AME-527,DB11598
7166,7166,7166,Tixagevimab is an extended half-life recombinant monoclonal IgG1κ antibody directed against the SARS-CoV-2 S protein for COVID-19 prophylaxis in individuals unable to undergo COVID-19 immunization.,,,Adenylate-3'-phosphate-[[2'-deoxy-uridine-5'-phosphate]-3'-phosphate],DB05933
7167,7167,7167,Hydrocortisone valerate is a corticosteroid used to treat inflammatory and pruritic corticosteroid-responsive dermatoses.,[H][C@@]12CC[C@](OC(=O)CCCC)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine,DB02485
7168,7168,7168,Istradefylline is a selective adenoside A2A receptor antagonist indicated in adjunct to levodopa and carbidopa for the treatment of Parkinson's Disease.,[H]\C(=C(\[H])C1=CC(OC)=C(OC)C=C1)C1=NC2=C(N1C)C(=O)N(CC)C(=O)N2CC,,Methdilazine,DB03844
7169,7169,7169,Tezosentan is an intravenous endothelin receptor A/B antagonist. Tezosentan was initially developed for vasodilation in patients with acute heart failure but studies have shown that it does not assist in the treatment of dyspnea or prevent cardiovascular events.,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=NC=C(C=C2)C(C)C)N=C(N=C1OCCO)C1=CC(=NC=C1)C1=NNN=N1,,Spermine,DB01094
7170,7170,7170,Not Available,NC(=O)C1=CC=C(NC2=NC(OCC3CCCCC3)=C(N=O)C(N)=N2)C=C1,,(4s)-4-{[(2s)-2-Amino-3-Oxopropyl]Sulfanyl}-L-Homoserinate,DB08737
7171,7171,7171,Not Available,[H]N([H])C(=O)C1=C[N+](=CC=C1)[C@@H]1C[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N=CN=C23)N([H])[H])[C@@H](O)[C@H]1O,,Oxytocin,DB02220
7172,7172,7172,Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(O)=O)C1=CC=CC=C1)C(O)=O,,Raltitrexed,DB04408
7173,7173,7173,Not Available,O=C(CC1=CC=CS1)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1,,"5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine",DB11574
7174,7174,7174,"Esomeprazole is a proton pump inhibitor used to treat GERD, reduce the risk of NSAID associated gastric ulcers, eradicate H. pylori, and to treat conditions causing gastric acid hypersecretion.",COC1=CC2=C(NC(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1,,N(6)-dimethylallyladenine,DB03506
7175,7175,7175,Indoramin is a discontinued piperidine antiadrenergic drug with the trade names Baratol and Doralese. It is a selective alpha-1 adrenergic antagonist with no reflex tachycardia and direct myocardial depression action.,O=C(NC1CCN(CCC2=CNC3=C2C=CC=C3)CC1)C1=CC=CC=C1,,Deserpidine,DB08848
7176,7176,7176,,OCC(O)CO,,Indole,DB00563
7177,7177,7177,Tezepelumab is a human monoclonal IgG2λ thymic stromal lymphopoietin (TSLP)-blocking antibody for add-on maintenance therapy in severe asthma.,,,Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine,DB13932
7178,7178,7178,Not Available,NC(=N)C1=CC=C(C=C1)C1=CC=C(OC[C@@H]2C[C@@H](CC(O)=O)C(=O)N2)C=C1,,Riluzole,DB04563
7179,7179,7179,Exenatide is a GLP-1 agonist used in the management of type 2 diabetes mellitus.,,HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS,Penbutolol,DB04273
7180,7180,7180,Not Available,[H][C@](C)(C1=CC=CN1)C1=C2C=C(NC(N)=O)C=CC2=NC1=O,,"N-METHYLALANYL-3-METHYLVALYL-4-PHENOXY-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE",DB04854
7181,7181,7181,Not Available,OC(CC1=CC=CC(=C1)C1=CC=C(C=C1)C1=CC=CC=C1)(P(O)(O)=O)P(O)(O)=O,,"4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide",DB11632
7182,7182,7182,Dipivefrin is a prodrug of epinephrine used in ophthalmic solutions to reduce intraocular pressure in chronic open-angle glaucoma.,CNCC(O)C1=CC(OC(=O)C(C)(C)C)=C(OC(=O)C(C)(C)C)C=C1,,3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE,DB04343
7183,7183,7183,Not Available,[NH3+]CCCCC(O)=O,,"5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE",DB12816
7184,7184,7184,Not Available,OS(=O)(=O)C1=CC=CC2=CC=CC(NC3=CC=CC=C3)=C12,,Coproporphyrin I,DB02443
7185,7185,7185,Arginine is an amino acid commonly found as a component of total parenteral nutrition.,N[C@@H](CCCNC(N)=N)C(O)=O,,Leucine,DB02031
7186,7186,7186,Not Available,[O-]C(=O)C1=CC=CC=C1OP([O-])=O,,Alrestatin,DB05127
7187,7187,7187,Not Available,CCOCN1C(=O)NC(=O)C(C(C)C)=C1SC1CCCCC1,,Frovatriptan,DB03573
7188,7188,7188,Omburtamab is an anti-CD276 (B7-H3) antibody being investigated for use in various solid human tumours.,,,2'-Deoxyuridine 3'-Monophosphate,DB00089
7189,7189,7189,Not Available,C[N+](C)(C)C1=CC=C(CNC(=O)C2=CC3=C(C=CC(OCC4=CC=CC=C4)=C3)N2CC2=CC=CC(=C2)C(N)=N)C=C1,,"2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol",DB04588
7190,7190,7190,Elvitegravir is an antiretroviral agent used in combination with other antiretrovirals for the treatment of HIV-1 infection in antiretroviral treatment-experienced adults.,[H][C@@](CO)(C(C)C)N1C=C(C(O)=O)C(=O)C2=C1C=C(OC)C(CC1=C(F)C(Cl)=CC=C1)=C2,,(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid,DB07556
7191,7191,7191,Not Available,[H][C@](N)(CO)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(O)COP(O)(O)=O,,Adenosine-2'-5'-Diphosphate,DB04143
7192,7192,7192,"Blonanserin is an atypical antipsychotic approved in Japan in January, 2008. It offers improved tolerability as it lacks side effects such as extrapyramidal symptoms, excessive sedation, or hypotension. As a second-generation (atypical) antipsychotic, it is significantly more efficacious in the treatment of the negative symptoms of schizophrenia compared to first-generation (typical) antipsychotics.",CCN1CCN(CC1)C1=NC2=C(CCCCCC2)C(=C1)C1=CC=C(F)C=C1,,Capromab pendetide,DB04261
7193,7193,7193,Thrombin alfa is a platelet activating factor used to treat minor bleeding.,,MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE,Tranilast,DB14840
7194,7194,7194,Not Available,CCOC(=O)C1=CC=C(OCCCCC2CCN(CC2)C2=NN=C(C)C=C2)C=C1,,"6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one",DB05088
7195,7195,7195,Not Available,[H][C@@]1(O)C[C@@](O)(C[C@]([H])(CP(O)(O)=O)[C@@]1([H])O)C(O)=O,,2-Bromoacetyl Group,DB14785
7196,7196,7196,Not Available,NC(=[NH2+])C1=CC2=C(S1)C=CC=C2,,METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID,DB15624
7197,7197,7197,"Nabiximols (tradename Sativex®) is a whole plant extract from the Cannabis species Cannabis sativa L. that has been purified into the active components CBD (cannabidiol) and THC (delta-9-tetrahydrocannabinol). For trademark purposes, purified CBD is branded as Nabidiolex®, while THC is purified as the product Tetrabinex®. Sativex® is available in a 1:1 formulation of THC:CBD as an oro-mucosal pump spray used for treatment of neuropathic pain from Multiple Sclerosis (MS) and for intractable cancer pain. Although still largely debated, Cannabis has been shown to have analgesic, anticonvulsant, muscle relaxant, anxiolytic, neuroprotective, anti-oxidant, and anti-psychotic activity 1,2.",[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C,,1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID,DB07454
7198,7198,7198,"Magnesium hydroxide is used primarily in ""Milk of Magnesia"", a white aqueous, mildly alkaline suspension of magnesium hydroxide formulated at about 8%w/v. Milk of magnesia is primarily used to alleviate constipation, but can also be used to relieve indigestion and heartburn. When taken internally by mouth as a laxative, the osmotic force of the magnesia suspension acts to draw fluids from the body and to retain those already within the lumen of the intestine, serving to distend the bowel, thus stimulating nerves within the colon wall, inducing peristalsis and resulting in evacuation of colonic contents.",[Mg++],,Urea C-14,DB07559
7199,7199,7199,Ertugliflozin is an SGLT2 inhibitor used to treat type 2 diabetes mellitus alone or in combination with other antidiabetic drugs.,CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)C=C1,,Etafedrine,DB01821
7200,7200,7200,"Tranilast is an antiallergic drug developed by Kissei Pharmaceuticals. In 1982, it was approved in Japan and South Korea for the management of bronchial asthma. Indications for keloid and hypertrophic scar were added in 1993. It has been used for the treatment of allergic disorders such as asthma, allergic rhinitis and atopic dermatitis.",COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC,,Dotatate gallium Ga-68,DB02132
7201,7201,7201,"Vitamin D3 is a form of Vitamin D used in the treatment of specific medical conditions such as refractory rickets, hypoparathyroidism, and familial hypophosphatemia, as well as osteoporosis and chronic kidney disease.",CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,,"1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE",DB06866
7202,7202,7202,Not Available,,,(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID,DB02466
7203,7203,7203,Pafolacianine is an optical imaging agent indicated in adult patients with ovarian cancer as an adjunct for intraoperative identification of malignant lesions.,CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS(O)(=O)=O)C4=C(C=C(C=C4)S([O-])(=O)=O)C3(C)C)=C2OC2=CC=C(C[C@H](NC(=O)C3=CC=C(NCC4=CN=C5N=C(N)NC(=O)C5=N4)C=C3)C(O)=O)C=C2)N(CCCCS(O)(=O)=O)C2=C1C=C(C=C2)S(O)(=O)=O,,Emodin,DB03219
7204,7204,7204,Fluocinonide is a high potency corticosteroid commonly used topically for a number of inflammatory skin conditions.,[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(C)=O,,Eptinezumab,DB11973
7205,7205,7205,Not Available,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC,,"N,N-[2,5-O-di-2-fluoro-benzyl-glucaryl]-di-[1-amino-indan-2-ol]",DB04051
7206,7206,7206,Olutasidenib is an isocitrate dehydrogenase-1 (IDH1) inhibitor indicated for the treatment of patients with relapsed or refractory acute myeloid leukemia with a susceptible IDH1 mutation as detected by an FDA-approved test.,C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(NC1=O)C=CC(Cl)=C2,,Triamterene,DB07008
7207,7207,7207,Not Available,[H][C@@]12CC[C@@](C)(O)[C@@]1(C)CCC1=C2C=CC2=CC(O)=CC=C12,,Oxiranpseudoglucose,DB16393
7208,7208,7208,"Milrinone is a PDE-III inhibitor with inotropic, lusitropic, and vasodilatory properties used for the short-term treatment of acute decompensated heart failure.",CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1,,A-98881,DB00621
7209,7209,7209,Ethinylestradiol is an estradiol used as a contraceptive.,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3,,Ambrisentan,DB02560
7210,7210,7210,"An organic compound used often as a reagent in organic synthesis, as a flavoring agent, and in tanning. It has been demonstrated as an intermediate in the metabolism of acetone and its derivatives in isolated cell preparations, in various culture media, and in vivo in certain animals. [PubChem]",CC(=O)C=O,,Formebolone,DB02690
7211,7211,7211,The cytostatic agent Elsamitrucin is a new fermentation product active in a variety of in vivo tumor models of murine and human origin. (PMID: 8150873),CO[C@@H]1[C@@H](N)[C@@H](O[C@H]2[C@H](OC3=CC=CC4=C3C3=C5C(C(=O)OC6=C5C(=C(C)C=C6)C(=O)O3)=C4O)O[C@H](C)[C@H](O)[C@]2(C)O)O[C@H](C)[C@@H]1O,,Bryostatin 1,DB06156
7212,7212,7212,Not Available,CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1,,CP-744809,DB07776
7213,7213,7213,Betaine is a methyl group donor used for the treatment of homocystinuria to decrease elevated homocysteine blood levels.,C[N+](C)(C)CC([O-])=O,,Hexylphosphonic acid (R)-2-methyl-3-phenylpropyl ester,DB04514
7214,7214,7214,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(CN2C)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,,Clenoliximab,DB07959
7215,7215,7215,Bemcentinib has been investigated for the treatment of Non-Small Cell Lung Cancer.,NC1=NC(NC2=CC=C3CC[C@@H](CCC3=C2)N2CCCC2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2,,AZD-9684,DB04570
7216,7216,7216,"Cholecystokinin ( also known as CCK or CCK-PZ) is a peptide hormone of the gastrointestinal system which is responsible for stimulating the digestion of fat and protein. Cholecystokinin, previously called pancreozymin, is synthesized and secreted by enteroendocrine cells in the duodenum (the first portion of the small intestine) and leads to the release of bile and digestive enzymes. CCK also acts as an appetite suppressant and has been studied for weight management regimens 12.",,,Butyric Acid,DB12404
7217,7217,7217,Not Available,FCCOC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C3C(=O)NC(=O)C(=O)C3=C2)=C1,,N-Methylmesoporphyrin,DB05080
7218,7218,7218,Not Available,[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(NP(=O)(OC)OC)[C@]1([H])O,,LAX-101,DB11755
7219,7219,7219,"Mitoxantrone is a chemotherapeutic agent used for the treatment of secondary progressive, progressive relapsing, or worsening relapsing-remitting multiple sclerosis.",OCCNCCNC1=CC=C(NCCNCCO)C2=C1C(=O)C1=C(C(O)=CC=C1O)C2=O,,Ethanolamine oleate,DB11820
7220,7220,7220,Not Available,CC(C)N1N=C(C2=C1N=CN=C2N)C1=CC=CC(O)=C1,,3-O-Methylfructose in Linear Form,DB14575
7221,7221,7221,"Urelumab has been used in trials studying the treatment of Leukemia, Multiple Myeloma, Malignant Tumors, and Cancer - Solid Tumors and B-Cell Non-Hodgkin's Lymphoma. Urelumab is a fully human antibody that targets CD137. The antibody product was developed using Medarex's UltiMAb(R) technology and was the first UltiMAb- derived antibody in clinical development by Bristol-Myers Squibb under the December 2003 agreement with Medarex.",,,Tinzaparin,DB03988
7222,7222,7222,"Inhibitor of P38 Kinase is a solid. This compound belongs to the indoles. These are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. This drug is known to target mitogen-activated protein kinase 14.",C(CC1=CC=NC=C1)C1=CNC2=CC=CC=C12,,(S)-2-{Methyl-[2-(Naphthalene-2-Sulfonylamino)-5-(Naphthalene-2-Sulfonyloxy)-Benzoyl]-Amino}-Succinicacid,DB05415
7223,7223,7223,Not Available,OC(=O)CC1=CC(=C(O)C=C1)[N+]([O-])=O,,(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY]PHENYL}PROPANOIC ACID,DB06081
7224,7224,7224,"Imatinib is a tyrosine kinase inhibitor used to treat a number of leukemias, myelodysplastic/myeloproliferative disease, systemic mastocytosis, hypereosinophilic syndrome, dermatofibrosarcoma protuberans, and gastrointestinal stromal tumors.",CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1,,S-Mercaptocysteine,DB02068
7225,7225,7225,Not Available,[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)CCC(=O)[C@@](C)(CCC(=O)NC2=C(O)C=CC(C(O)=O)=C2O)[C@]31[H],,3-Amino-6-Hydroxy-Tyrosine,DB05630
7226,7226,7226,"Candesartan cilexetil is an angiotensin receptor blocker used to treat hypertension, systolic hypertension, left ventricular hypertrophy, and delay progression of diabetic nephropathy.",CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(=O)OC(C)OC(=O)OC1CCCCC1,,Tositumomab,DB14488
7227,7227,7227,Vardenafil is a phosphodiesterase 5 inhibitor used to treat erectile dysfunction.,CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1,,PRLX 93936,DB05667
7228,7228,7228,Estazolam is a benzodiazepine used for the short-term management of insomnia.,ClC1=CC2=C(C=C1)N1C=NN=C1CN=C2C1=CC=CC=C1,,Hyoscyamine,DB01708
7229,7229,7229,Not Available,[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(=O)CC1=CC=CC=C1)B(O)O,,Thiopental,DB03593
7230,7230,7230,Not Available,CC(=N)NCC1=CC(CN)=CC=C1,,3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide,DB08893
7231,7231,7231,"Benzquinamide is a discontinued antiemetic compound with antihistaminic, mild anticholinergic, and sedative properties. The mechanism of action is not known, but presumably benzquinamide works via antagonism of muscarinic acetycholine receptors and histamine H1 receptors.",CCN(CC)C(=O)C1CN2CCC3=CC(OC)=C(OC)C=C3C2CC1OC(C)=O,,PD-168393,DB00389
7232,7232,7232,Not Available,COC(=O)C1=CC(OC)=C(O)C(OC)=C1,,2-Acetyl-Protoporphyrin Ix,DB08902
7233,7233,7233,Not Available,[H]N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC1=CC=CC=C1)N([H])[C@@H](CCC1=CC=CC=C1)C(O)=O,,4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE,DB00848
7234,7234,7234,Tolvaptan is a selective vasopressin V2-receptor antagonist to slow kidney function decline in patients at risk for rapidly progressing autosomal dominant polycystic kidney disease (ADPKD). Also used to treat hypervolemic and euvolemic hyponatremia.,CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)N1CCC[C@@H](O)C2=C1C=CC(Cl)=C2,,N-Butyl Isocyanide,DB02457
7235,7235,7235,"Quinethazone, marketed as Hydromox, is a thiazide diuretic indicated for hypertension. Patients may experience adverse reactions such as dizziness, dry mouth, nausea, and hypokalemia.",CCC1NC(=O)C2=CC(=C(Cl)C=C2N1)S(N)(=O)=O,,Abivertinib,DB04176
7236,7236,7236,Not Available,N#CCC1=CC=C(NC2=NC3=CC=CC=C3C(NC3=NNC(=C3)C3CC3)=N2)C=C1,,Filgotinib,DB01647
7237,7237,7237,Urokinase is a low molecular weight form of human urokinase used to treat pulmonary embolism and myocardial infarction as well as to clear IV lines.,,KPSSPPEELKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLMSPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLAL,Golodirsen,DB01059
7238,7238,7238,Not Available,CCCCCCCCCC(=O)C\N=C\C1=C(COP(O)(O)O)C=NC(C)=C1O,,"(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide",DB00831
7239,7239,7239,Not Available,CC1=C(CC(N)=O)C2=C(C=CC(OCCCC(O)=O)=C2)N1CC1=CC=CC=C1,,"(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene",DB06696
7240,7240,7240,Not Available,[O-][N+]1=CC=CC2=C1C=C(S2)C(=O)N1CCN(CC1)S(=O)(=O)C1=CC2=CC(Cl)=CC=C2N1,,Simeprevir,DB02852
7241,7241,7241,"A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils. [PubChem]",C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1,,Promazine,DB09076
7242,7242,7242,Not Available,CC(C)(CCl)C(=O)NC1=CC=C(C=C1)C(F)(F)F,,N'-(5-CHLOROBENZOFURAN-2-CARBONYL)-2-(TRIFLUOROMETHYL)BENZENESULFONOHYDRAZIDE,DB04615
7243,7243,7243,Not Available,CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(N)(=O)=O,,5'-O-(L-Serylsulfamoyl)adenosine,DB01232
7244,7244,7244,Fluticasone furoate is an inhaled corticosteroid that can be used as maintenance treatment of asthma and/or chronic obstructive pulmonary disease (COPD) depending on the product. Also available as a nasal spray to manage symptoms of allergic rhinitis.,[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,9-(2-carboxyethyl)-10-methylanthracene endoperoxide,DB09143
7245,7245,7245,Not Available,NC(=O)CN(CC(O)=O)CC(O)=O,,IRL-1620,DB02910
7246,7246,7246,Mibefradil was withdrawn from the market in 1998 because of potentially harmful interactions with other drugs.,COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C,,Menthyl salicylate,DB00400
7247,7247,7247,"Primidone is an antiepileptic used to treat grand mal, psychomotor, and focal epileptic seizures.",CCC1(C(=O)NCNC1=O)C1=CC=CC=C1,,Thiorphan,DB03742
7248,7248,7248,"Mycophenolate mofetil is an inosine monophosphate dehydrogenase inhibitor used to prevent the rejection of kidney, heart, or liver transplants.",COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C,,"N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide",DB06752
7249,7249,7249,Not Available,OCC1=C(F)C(F)=C(F)C(F)=C1F,,Coprogen,DB02493
7250,7250,7250,Not Available,CCN[C@H]1CN(CCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,3-[(3-sec-butyl-4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxy-5-methoxybenzoyl)benzoate,DB03317
7251,7251,7251,Doxylamine is an antihistamine used to treat insomnia and allergy symptoms and is used with pyridoxine in the treatment of nausea and vomiting in pregnancy.,CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1,,Fleroxacin,DB05209
7252,7252,7252,Not Available,NC1=C(C=C(NC2=CC=C(NC3=NC(Cl)=NC(NC4=CC=CC=C4S(O)(=O)=O)=N3)C(=C2)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,,Fenoterol,DB07258
7253,7253,7253,Piribedil is a dopamine agonist used with or without levodopa in the treatment of Parkinson's disease.,C(N1CCN(CC1)C1=NC=CC=N1)C1=CC2=C(OCO2)C=C1,,"1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide",DB07097
7254,7254,7254,"Edotecarin is a novel, non-camptothecin, DNA topoisomerase I inhibitor. It is member of the class of compounds called indolocarbazoles.",OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O,,Trinitrotoluene,DB06950
7255,7255,7255,Not Available,CC(=O)CSCCS(O)(=O)=O,,Mitapivat,DB05049
7256,7256,7256,Not Available,CN1C=CC(N)=NC1=O,,"[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE",DB02104
7257,7257,7257,"The humanized anti-IL-12 antibody is an important addition to PDL's already strong pipeline of humanized antibodies being developed for the treatment of autoimmune diseases. SMART Anti-IL-12 Antibody was humanized at PDL from a murine anti-IL-12 antibody that was licensed, together with certain intellectual property related to anti-IL-12 therapy, from Hoffmann-La Roche Inc. IL-12 is a cytokine that may have considerable potential as a target in the therapy of autoimmune diseases.",,,"1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine",DB02774
7258,7258,7258,Not Available,OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)C1=CC=CC=C1,,Triacetylchitotriose,DB04234
7259,7259,7259,Not Available,[H][C@](C)(C#CC1=C(C)N=C(N)N=C1N)C1=CC(OC)=CC(=C1)C1=CC=C(C)C=C1,,SGS518,DB11614
7260,7260,7260,Not Available,CC(C)CCN(C[C@@H](O)[C@@H]1CC2=CC=C(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)C=C2)S(=O)(=O)C1=CC=CC=C1,,Zanapezil,DB07936
7261,7261,7261,Not Available,[H][C@@](C)(NC(=O)[C@@]([H])(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)\C=C\C(=O)C=O,,Physostigmine,DB05984
7262,7262,7262,Teriparatide is a recombinant parathyroid hormone used for the treatment of osteoporosis.,,SVSEIQLMHNLGKHLNSMERVEWLRKKLQDVHNF,Biotinyl P-Nitroaniline,DB03499
7263,7263,7263,Not Available,[H][C@]1(CC2=NC(N)=CC(C)=C2)CNC[C@@]1([H])NCCNCC1=CC=C(Cl)C=C1,,Veliflapon,DB07644
7264,7264,7264,"Sitaxentan was marketed under the trade name Thelin for the treatment of pulmonary arterial hypertension (PAH) by Encysive Pharmaceuticals until Pfizer purchased Encysive in February 2008. In 2010, Pfizer voluntarily removed sitaxentan from the market over concerns of hepatotoxicity.",CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl,,"S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE",DB03534
7265,7265,7265,Not Available,COC1=CC(=CC(OC)=C1)C1=NC(=C(CN)C(N)=N1)C1=CC=C(Cl)C=C1Cl,,2-Hydroxyestradiol,DB08220
7266,7266,7266,Not Available,[H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O,,Insulin pork,DB02938
7267,7267,7267,Not Available,[Fe+5].[H]C1=C([H])/C2=C([H])/C3=N/C(/C([H])=C3[H])=C([H])\C3=C([H])C([H])=C([N-]3)/C([H])=C3\N=C(C([H])=C3[H])\C(\[H])=C\1/[N-]\2,,Oxtriphylline,DB06374
7268,7268,7268,Renzapride is currently in Phase III clinical development in the United States for the treatment of constipation-predominant irritable bowel syndrome (IBS-C). It has been suggested that renzapride is effective in the treatment of irritable bowel syndrome with alternating stool pattern. It is being developed by Alizyme of the UK.,COC1=C(C=CC(N)=C1Cl)C(=O)NC1CCN2CCCC1C2,,(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE,DB04178
7269,7269,7269,"Faropenem medoxomil is an ester prodrug derivative of the beta-lactam antibiotic faropenem. The prodrug form of faropenem offers dramatically improved oral bioavailability and leads to higher systemic concentrations of the drug. Faropenem medoxomil is a broad-spectrum antibiotic that is highly resistant to beta-lactamase degradation. It is being developed jointly by Replidyne, Inc. and Forest Laboratories, Inc.",[H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCC1=C(C)OC(=O)O1)[C@@]1([H])CCCO1,,N-Tridecanoic Acid,DB11075
7270,7270,7270,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC[C@H](C)C(O)=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,"1,4:3,6-Dianhydro-2-O-(3-carbamimidoylphenyl)-5-O-(4-carbamimidoylphenyl)-D-glucitol",DB07462
7271,7271,7271,Not Available,NC(=[NH2+])C1=CC=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],,Hydroxyaminovaline,DB07195
7272,7272,7272,Not Available,[H][C@]1(C[C@]2(ON1)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)C1=CC=C(C)C=C1,,Dimethylthiambutene,DB07295
7273,7273,7273,"Dotatate gallium (Ga-68) is a somatostatin-2 receptor analog which is radiolabeled with gallium 68 as a positron-emitting radioisotope. Ga-68 dotatate has a high affinity for somatostatin-2 receptor and it is rapidly excreted from the nontarget sites which gives it an ideal candidate for imaging neuroendocrine tumors. Dotatate gallium (Ga-68) explotes its ability to detect somatostatin receptor scintigraphy and this characteristic tends to change with tumor grade which gives Ga-68 dotate a high diagnostic value.1 Dotatate gallium 68 was developed by Advanced Accelerator Applications USA, Inc. and FDA approved in June 1, 2016.",[68Ga+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O,,R1295,DB07792
7274,7274,7274,"Telcagepant has been investigated for the treatment of Migraine. It is an antagonist of the receptor for calcitonin gene-related peptide (CGRP), a primary neuropeptide involved in the pathophysiology of migraine. CGRP and its receptors are found in areas of the central and peripheral nervous system that are important for the transmission of migraine pain. During migraine attacks, CGRP activates these receptors and facilitates the transmission of pain impulses.",FC1=C(F)C(=CC=C1)[C@@H]1CC[C@@H](NC(=O)N2CCC(CC2)N2C(=O)NC3=C2C=CC=N3)C(=O)N(CC(F)(F)F)C1,,Susoctocog alfa,DB04299
7275,7275,7275,Not Available,OC1=CC=CC=C1C1=CC=CC=C1[S@@](O)=O,,Faricimab,DB09295
7276,7276,7276,Not Available,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O,,Cerivastatin,DB03164
7277,7277,7277,Not Available,[H]N1C=C(C[N+]2([H])C[C@H](O)[C@@H](CO)C2)C2N=CN([H])C(=O)C12,,4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE,DB07933
7278,7278,7278,"Used as antiseptic, astringent, and stimulant for epitheliazation.",OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,,N2-[(Benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxo-3-pyrrolidinyl]-L-leucinamide,DB09301
7279,7279,7279,The botanical drug product LLL-3348 is a once-daily oral formulation for treatment of chronic stable plaque type psoriasis.,,,"1,4-dithio-alpha-D-glucopyranose",DB07112
7280,7280,7280,Ampicillin is a penicillin derivative used for the treatment of a variety of infections caused by gram-positive and gram-negative bacteria as well as some anaerobes.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O,,3-amino-5-phenylpentane,DB05141
7281,7281,7281,"Toloxatone is an antidepressant agent, the first ever use of which was in France, 1984. It acts as a selective and reversible inhibitor of monoamine oxidase-A (MOA) 5.",CC1=CC(=CC=C1)N1CC(CO)OC1=O,,Tisagenlecleucel,DB13934
7282,7282,7282,"Tislelizumab is an IgG4 variant monoclonal antibody against PD-1 indicated for the treatment of unresectable, locally advanced or metastatic esophageal squamous cell carcinoma",,QVQLQESGPGLVKPSETLSLTCTVSGFSLTSYGVHWIRQPPGKGLEWIGVIYADGSTNYNPSLKSRVTISKDTSKNQVSLKLSSVTAADTAVYYCARAYGNYWYIDVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPPVAGGPSVFLFPPKPKDTLMISRTPEVTCVVVAVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVVHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,CA-170,DB08531
7283,7283,7283,"Stannsoporfin is a competitive heme oxygenase (HO) inhibitor being developed by InfaCare, a subsidiary of WellSpring Pharmaceuticals, for the prevention of hyperbilirubinemia in infants at risk of developing jaundice.",[Cl-].[Cl-].[Sn+4].CCC1=C2[N-]C(\C=C3/N=C(/C=C4\[N-]\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4CCC(O)=O)C(CCC(O)=O)=C3C)=C1C,,Choline salicylate,DB06642
7284,7284,7284,Not Available,[H]N(C(=O)C(C)(O)C(F)(F)F)C1=C(C)C=C(C=C1)S(=O)(=O)N(CC)C1=CC=CC=C1,,Chromic citrate,DB00521
7285,7285,7285,Atosiban is an inhibitor of oxytocin and vasopressin used to delay imminent preterm birth in pregnant adult women displaying specific clinical observations.,[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](CC2=CC=C(OCC)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O,,Fosphenytoin,DB02931
7286,7286,7286,Not Available,CC1=C(SC=C1)C(=O)NC1=CC(CN2CCN(CC2)C(=O)CO)=CC=C1\C=C\C1=NNC2=CC=CC=C12,,5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole,DB02066
7287,7287,7287,Not Available,FC1=CC=CC=C1C1=CN2C=CN=C2C(NCC2=CC=CN=C2)=N1,,Bis(Adenosine)-5'-Triphosphate,DB01332
7288,7288,7288,Trospium is an antimuscarinic agent used to treat the symptoms of overactive bladder (OAB).,[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1)[N+]21CCCC1,,Equol,DB01291
7289,7289,7289,"Ketorolac is an NSAID used to treat moderate to severe pain, rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, menstrual disorders, and headaches.",OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1,,"4,5-Dimethyl-1,2-phenylenediamine",DB16637
7290,7290,7290,Not Available,NC(N)=NCCC1=CC=C(C=C1)B1OC[C@@H](CO)O1,,"2,5-bis-O-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-D-glucitol",DB00643
7291,7291,7291,Not Available,[H][C@@](C)(CP(O)(=O)[C@@]([H])(N)CC(O)=O)C(O)=O,,{4-[(2S)-2-Acetamido-3-({(1S)-1-[3-carbamoyl-4-(cyclohexylmethoxy)phenyl]ethyl}amino)-3-oxopropyl]-2-phosphonophenoxy}acetic acid,DB03428
7292,7292,7292,Not Available,COC1=C(OCC2=NC=CC=C2)C=C(C)C=C1,,"1,2-Di-N-Pentanoyl-Sn-Glycero-3-Dithiophosphocholine",DB00574
7293,7293,7293,Not Available,[H][C@]1(CO)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC3=C(C=C(C=C3)N(=O)=O)N(=O)=O)[C@]([H])(F)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Ricinoleic acid,DB07130
7294,7294,7294,"A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.",OCC(F)(F)F,,L-proline betaine,DB03252
7295,7295,7295,Not Available,[H][C@@]1(C)C[C@]([H])(C)[C@]([H])(O)[C@@]([H])(C)C(=O)O[C@]([H])(CC)[C@]([H])(C)\C=C\C1=O,,Casirivimab,DB12121
7296,7296,7296,Clofarabine is a purine nucleoside used to treat relapsed or refractory acute lymphoblastic leukemia in patients 1 to 21 years old.,[H][C@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=C(Cl)N=C12,,R411,DB01220
7297,7297,7297,Not Available,[H][C@]1(CO)O[C@@]([H])(N2C=NC3=CN=CN=C23)[C@]([H])(O)[C@]1([H])O,,5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE,DB15488
7298,7298,7298,"Vorinostat is a histone deacetylase (HDAC) inhibitor used for the treatment of cutaneous manifestations in patients with progressive, persistent, or recurrent cutaneous T- cell lymphoma (CTCL) following prior systemic therapies.",ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1,,Netupitant,DB08910
7299,7299,7299,Estetrol is an estrogen used in combination with drospirenone for oral contraception.,[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H],,3-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-1-ONE,DB14126
7300,7300,7300,"Certolizumab pegol is a tumor necrosis factor (TNF) blocker used to treat a variety of autoimmune and autoinflammatory conditions like Crohn's disease, rheumatoid arthritis, active psoriatic arthritis, ankylosing spondylitis, axial spondyloarthritis, and plaque psoriasis.",,DIQMTQSPSSLSASVGDRVTITCKASQNVGTNVAWYQQKPGKAPKALIYSASFLYSGVPYRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,Valsartan,DB04424
7301,7301,7301,Not Available,NC1=NC(=O)C2=C(NC=C2CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N1,,Ginsenoside Rg1,DB07897
7302,7302,7302,Not Available,OCC(=O)COP(O)(=O)OC1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1O,,"(2S,3R)-2-[[4-(Tert-butylcarbamoyl)piperazine-1-carbonyl]amino]-6-(diaminomethylideneamino)-3-formylhexanoic acid",DB00603
7303,7303,7303,Not Available,OC(=O)\C=C/C(O)=O,,Dinoprost tromethamine,DB00598
7304,7304,7304,"Famciclovir is a nucleoside analog DNA polymerase inhibitor used for the treatment of recurrent cold sores and genital herpes in healthy patients and patients with HIV, and to manage herpes zoster.",CC(=O)OCC(CCN1C=NC2=CN=C(N)N=C12)COC(C)=O,,Phenylethyl alcohol,DB05695
7305,7305,7305,Not Available,NC(=N)C1=CC2=C(NC(=O)C3=CC=CC(=C3)S(=O)(=O)OCCCO)C=CC=C2C=C1,,2-Hydroxy-Tryptophan,DB07419
7306,7306,7306,Not Available,CC1=CNC(=O)NC1=O,,Orlistat,DB01147
7307,7307,7307,Not Available,[H][C@@](NC(=O)OC(C)(C)C)(C=O)C1CCCCC1,,JE-2147,DB00370
7308,7308,7308,Not Available,[H][C@](CC1=CNC2=C1C=C(C)C=C2)(NS(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(O)=O,,trans-2-hydroxycinnamic acid,DB03900
7309,7309,7309,Not Available,NC[C@H](C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CNN=C1,,"1-Methyl-3-Oxo-1,3-Dihydro-Benzo[C]Isothiazole-5-Sulfonic Acid Amide",DB09409
7310,7310,7310,Not Available,OC(=O)C1=C(C=CS1)C(=O)NC1=C(F)C=C(C=C1F)C1=CC(OC(F)(F)F)=CC=C1,,N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE,DB00960
7311,7311,7311,Letermovir is an antiviral medication used for prophylaxis in adult transplant recipients at risk of cytomegalovirus (CMV) infection and disease.,COC1=CC=CC(=C1)N1CCN(CC1)C1=NC2=C(C=CC=C2F)[C@H](CC(O)=O)N1C1=CC(=CC=C1OC)C(F)(F)F,,"(4S,5S)-1,2-dithiane-4,5-diol",DB00968
7312,7312,7312,"Imexon is currently being studied for the treatment of pancreatic, lung, breast, prostate, melanoma, and multiple myeloma cancers. It belongs to the family of drugs called cyanoaziridine derivatives. Also called Amplimexon. Imexon is a cyanoaziridine derivative.
Imexon is a thiol-binding small molecule which induces mitochondrial oxidation, a loss of membrane potential and cytochrome C, leading to apoptosis.",NC1=NC(=O)N2CC12,,"N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide",DB02626
7313,7313,7313,Dronedarone is an antiarrhythmic agent used in the reduce the risk of hospitalization in patients with paroxysmal or persistent atrial fibrillation.,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2,,Lucatumumab,DB07809
7314,7314,7314,"Testosterone is a hormone used to treat hypogonadism, breast carcinoma in women, or the vasomotor symptoms of menopause.",C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,,"N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE",DB09098
7315,7315,7315,Not Available,[H]N([H])C(=O)C1=C(OCC2CCCCC2)C=CC(=C1)[C@H](C)N([H])C(=O)[C@H](CC1=CC(=C(OCC(O)=O)C=C1)P(O)(O)=O)N([H])C(C)=O,,"3-Hydroxy-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-piperidin-2-one",DB00573
7316,7316,7316,Oseltamivir is a neuraminidase inhibitor used in the prophylaxis and treatment of influenza.,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,,3-(Mercaptomethylene)Pyridine,DB05345
7317,7317,7317,Not Available,CC(N)=O,,Kappadione,DB06127
7318,7318,7318,Clotrimazole is a topical broad-spectrum antifungal agent used for the treatment of a wide variety of dermatophyte infections and candidiasis.,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1,,Alvimopan,DB02292
7319,7319,7319,Methsuximide is a succinimide anticonvulsant that increases the seizure threshold. Primarily used for childhood absence seizures. Functions by suppressing paroxysmal spike-and-wave patterns associated with lapses of consciousness in absence seizures.,CN1C(=O)CC(C)(C1=O)C1=CC=CC=C1,,Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine-D-Glutamate,DB03816
7320,7320,7320,Not Available,N#CC1=CC=C(\N=C2/O[C@@]([H])(C(F)(F)F)[C@]3([H])[C@](O)([H])CCN23)C(C)=C1Cl,,CoA-S-trimethylene-acetyl-tryptamine,DB03888
7321,7321,7321,Not Available,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1,,Cefoxitin,DB12610
7322,7322,7322,Not Available,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,3-[(1-Amino-2-Carboxy-Ethyl)-Hydroxy-Phosphinoyl]-2-Methyl-Propionic Acid,DB06511
7323,7323,7323,Serine is an amino acid commonly found as a component in total parenteral nutrition.,N[C@@H](CO)C(O)=O,,Talniflumate,DB01408
7324,7324,7324,Not Available,CC(C)(CC1=CC=C2C=CC=CC2=C1)NC[C@@H](O)COC1=CC=CC(Cl)=C1C#N,,"Antihemophilic factor, human recombinant",DB06318
7325,7325,7325,Not Available,[H][C@](O)(CO)[C@@]1([H])O[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Diphthamide,DB07277
7326,7326,7326,"Ketodarolutamide, a nonsteroidal antiandrogen (NSAA), is the major active metabolite of darolutamide.",C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)=O,,4-Flourobenzenesulfonamide,DB14059
7327,7327,7327,"Potassium is the major cation (positive ion) inside animal cells, while sodium is the major cation outside animal cells. The concentration differences of these charged particles causes a difference in electric potential between the inside and outside of cells, known as the membrane potential. The balance between potassium and sodium is maintained by ion pumps in the cell membrane. The cell membrane potential created by potassium and sodium ions allows the cell generate an action potential—a ""spike"" of electrical discharge. The ability of cells to produce electrical discharge is critical for body functions such as neurotransmission, muscle contraction, and heart function. Potassium is also an essential mineral needed to regulate water balance, blood pressure and levels of acidity.",[K+],,Tacrine,DB00251
7328,7328,7328,Not Available,[H][C@@]1(CC2=C(C=C(C=C2)S(=O)(=O)N2CCN(C)CC2)S(=O)(=O)N1)C1CCCC1,,humanized SMART Anti-IL-12 Antibody,DB01783
7329,7329,7329,Not Available,[H][C@@]1(C)C[N@@]1C1=CC(=O)C2=C(C(CO)=C(N2C)C2=CC=CC=C2)C1=O,,Fucitol,DB04716
7330,7330,7330,Latamoxef is a broad- spectrum beta-lactam antibiotic similar in structure to the cephalosporins except for the substitution of an oxaazabicyclo moiety for the thiaazabicyclo moiety of certain cephalosporins. It has been proposed especially for the meningitides because it passes the blood-brain barrier and for anaerobic infections.,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O,,Rozrolimupab,DB03383
7331,7331,7331,XL418 is a novel anticancer compound.,,,Pantoyl Adenylate,DB01720
7332,7332,7332,Not Available,OC[C@@H](O)[C@H](O)[C@@H](O)COP(O)(O)=O,,N-[(1S)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide,DB01431
7333,7333,7333,"NA-831 (Traneurocin), is under investigation in two clinical trials: NCT03538522 (completed, for mild cognitive impairment and Alzheimer’s disease) and NCT04452565 (unknown status, combination therapy with Atazanavir and Dexamethasone for COVID-19).",[H][C@@]12CCCN1C(=O)CNC2=O,,Gadopentetic acid,DB03306
7334,7334,7334,"Pracinostat is a novel HDAC inhibitor with improved in vivo properties compared to other HDAC inhibitors currently in clinical trials, allowing oral dosing. Data demonstrate that Pracinostat is a potent and effective anti-tumor drug with potential as an oral therapy for a variety of human hematological and solid tumors.",CCCCC1=NC2=C(C=CC(\C=C\C(=O)NO)=C2)N1CCN(CC)CC,,CPI-1205,DB07080
7335,7335,7335,Not Available,[H][C@@](CC1=CC=C(O)C=C1)(NC(=O)CCCCCCCCCCC)C(O)=O,,B-nonylglucoside,DB04052
7336,7336,7336,Not Available,[H]N1C(=O)N(CCC[C@@H](N(O)CO)C(O)=O)C(=O)[C@]11O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,"4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione",DB08835
7337,7337,7337,Not Available,FC1=CC=C(C=C1)C1=C(N(CC2CC2)C=N1)C1=CC=NC=C1,,KP-1461,DB00451
7338,7338,7338,Fludrocortisone is a mineralocorticoid used to treat adrenocortical insufficiency and salt-losing adrenogenital syndrome.,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,"3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE",DB08528
7339,7339,7339,Not Available,[O-]P([O-])(F)=O,,"1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine",DB01536
7340,7340,7340,Not Available,OP(O)(=O)OCCCC1=CNC2=C1C=C(F)C=C2,,Pyrophosphoric acid,DB07257
7341,7341,7341,Metyrosine is a tyrosine 3-monooxygenase inhibitor used to treat excessive sympathetic stimulation in pheochromocytoma.,C[C@](N)(CC1=CC=C(O)C=C1)C(O)=O,,Bromocriptine,DB00751
7342,7342,7342,Levamisole is levamisole is a nicotinic receptor agonist used to treat helminth infections and some skin infections.,C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1,,Dacomitinib,DB01005
7343,7343,7343,"ADX10061 is a potent, selective antagonist of the dopamine D1 receptor. It is developed by Addex Pharmaceuticals for the treatment of nicotine dependence.",CN1CCC2=CC(=C(O)C=C2[C@H](C1)C1=C2OCCC2=CC=C1)[N+]([O-])=O,,Parecoxib,DB09310
7344,7344,7344,Not Available,[H][C@@](O)(N[C@@]([H])(CC1=CC=CC=C1)[C@]([H])(O)N[C@@]([H])(CC1=CC(C(O)=O)=C(OCC(O)=O)C=C1)[C@@]([H])(O)NCCCCC)OC(C)(C)C,,"S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate",DB08954
7345,7345,7345,Ombitasvir is a direct acting antiviral agent used in combination with other antiviral agents for the treatment of Hepatitis C Virus (HCV) infections.,COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1=CC=C(C=C1)[C@@H]1CC[C@H](N1C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C=C1,,2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE),DB01013
7346,7346,7346,A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13).,COC1=CC(=CC=C1O)C([O-])=O,,Naftifine,DB01481
7347,7347,7347,Not Available,OC(=O)CCC1=C(NC2=C1C(Cl)=CC(Cl)=C2)C(O)=O,,Nitroxoline,DB15685
7348,7348,7348,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)C(O)=O,,Albendazole,DB08765
7349,7349,7349,Not Available,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,[2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid,DB11079
7350,7350,7350,Not Available,[H][C@@]1(C)C(=O)C[C@@]([H])(CC(O)O)C1(C)C,,AL6528,DB16778
7351,7351,7351,Rescinnamine is an angiotensin-converting enzyme inhibitor used as an antihypertensive drug. It is an alkaloid obtained from Rauwolfia serpentina and other species of Rauwolfia.,[H][C@]12C[C@@H](OC(=O)C=CC3=CC(OC)=C(OC)C(OC)=C3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCC3=C1NC1=C3C=CC(OC)=C1)C2,,2-deazo-6-thiophosphate guanosine-5'-monophosphate,DB08644
7352,7352,7352,Not Available,[H][C@](CC)(C(=O)NC1=CC=NC=C1)C1=CC=CC=C1,,6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one,DB09215
7353,7353,7353,Not Available,[H][C@](NC(=O)CC1=CNC2=CC=CC=C12)(C(C)C)C(O)=O,,Hydroxyprogesterone caproate,DB06248
7354,7354,7354,Not Available,OC(=O)N1CCC(CC2=CC(OC3=NC=C(C=C3)C(F)(F)F)=CC=C2)CC1,,Methyl N-{[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl}-L-alanyl-L-prolinate,DB08930
7355,7355,7355,Metolazone is a thiazide-like diuretic used to treat hypertension.,CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O,,"N,O-didansyl-L-tyrosine",DB06268
7356,7356,7356,Not Available,[H][C@](C(O)=O)(C1=CC=CC=C1)S(O)(=O)=O,,Allysine,DB00687
7357,7357,7357,"Mesoridazine is a phenothiazine antipsychotic used to treat schizophrenia, organic brain disorders, alcoholism, and psychoneuroses.",CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2,,Ipilimumab,DB03785
7358,7358,7358,Not Available,C(CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=NN=NN1,,Damoctocog alfa pegol,DB01711
7359,7359,7359,Not Available,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,"2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DB04508
7360,7360,7360,Not Available,[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C,,Apatorsen,DB03473
7361,7361,7361,Not Available,OC(=O)CCCC1=CC=CS1,,5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID),DB05009
7362,7362,7362,Triclabendazole is an anthelmintic drug used to treat fascioliasis.,CSC1=NC2=C(N1)C=C(Cl)C(OC1=CC=CC(Cl)=C1Cl)=C2,,"{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid",DB01037
7363,7363,7363,Not Available,COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1,,"2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide",DB03351
7364,7364,7364,Not Available,COC1=CC=C(F)C(F)=C1C(=O)C1=CN=C(NC2CCN(CC2)S(C)(=O)=O)N=C1N,,Anakinra,DB12917
7365,7365,7365,Sulpiride is a selective D2 dopamine receptor antagonist indicated to treat chronic and acute schizophrenia.,CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O,,N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE,DB08034
7366,7366,7366,Not Available,O=C(NC1=CC=C(OC2=CC=CC=C2)C=C1)C1=C(NCC2=CC=NC=C2)N=CC=C1,,Dihydroergocornine,DB12284
7367,7367,7367,Not Available,[H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CC=C(O)C=C1)NC2=O,,2-(Trimethylammonium)Ethyl Thiol,DB04119
7368,7368,7368,Not Available,CN(CC1=C(N)C=CC(=C1)C(=O)N(C)CC1=CC2=C(C=CC=C2)N1C)C(C)=O,,Tamsulosin,DB12589
7369,7369,7369,Not Available,CC1=CC=C(NC(=O)C2=CC=CN=C2)C=C1NC1=NC=CC(=N1)C1=CC=CN=C1,,3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID,DB04557
7370,7370,7370,Ergotamine is an alpha-1 selective adrenergic agonist vasoconstrictor used to treat migraines with or without aura and cluster headaches.,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O,,TMP,DB07658
7371,7371,7371,Nafcillin is a penicillin derivative antibiotic used to treat susceptible staphylococcal infections.,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OCC)C=CC2=CC=CC=C12)C(O)=O,,"7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE",DB04586
7372,7372,7372,Protirelin is a synthetic analogue of thyrotropin-releasing hormone that has been used during diagnostic tests to evaluate function of the thyroid gland.,[H][C@@](CC1=CN=CN1)(NC(=O)[C@]1([H])CCC(=O)N1)C(=O)N1CCC[C@@]1([H])C(N)=O,,TAS-108,DB15091
7373,7373,7373,Not Available,COC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O,,Baclofen,DB00351
7374,7374,7374,Not Available,[H]N(C1=NN([H])N=N1)S(=O)(=O)C1=CC2=C(OC3=CC=CC=C3C2=O)C=C1,,Ethoxzolamide,DB11386
7375,7375,7375,Not Available,CO\C=C(\C(=O)OC)C1=C(\C=C\C2=CC=CC=C2)C=CC=C1,,Canertinib,DB03733
7376,7376,7376,"Epinephrine is a hormone and neurotransmitter used to treat allergic reactions, to restore cardiac rhythm, and to control mucosal congestion, glaucoma, and asthma.",CNC[C@H](O)C1=CC(O)=C(O)C=C1,,Lormetazepam,DB05687
7377,7377,7377,BMS-754807 is under investigation in clinical trial NCT00908024 (Combination Study of BMS-754807 and Erbitux® in Subjects With Advanced or Metastatic Solid Tumors).,C[C@]1(CCCN1C1=NN2C=CC=C2C(NC2=NNC(=C2)C2CC2)=N1)C(=O)NC1=CN=C(F)C=C1,,Sulindac,DB12334
7378,7378,7378,Not Available,OC(=O)CCCCC1=CC=CC=C1,,"(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE",DB03650
7379,7379,7379,Manidipine is a dihydropyridine calcium channel blocker used to treat hypertension.,COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1,,Cosibelimab,DB04947
7380,7380,7380,Not Available,[H][C@@](C)(O)[C@]([H])(CC1=CC=C(O)C=C1)NC(=O)[C@]([H])(CC(C)C)NC(=O)OCC1=CC=CC=C1,,1-{[(1E)-(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXY-LAMBDA^5^-PHOSPHANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLIDENE]AMINO}UNDECAN-2-ONE,DB03584
7381,7381,7381,Ferric citrate is a phosphate binder used to control serum phosphorus levels or as an iron supplement.,O.O.O.O.O.O.O.O.O.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O,,R048-8071,DB07036
7382,7382,7382,Butobarbital is a sedative and a hypnotic drug.,CCCCC1(CC)C(=O)NC(=O)NC1=O,,2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE,DB13899
7383,7383,7383,Not Available,CCCCCCC1=CC=C(C=C1)C(=O)C=C,,4-{2-[(3-Nitrobenzoyl)Amino]Phenoxy}Phthalic Acid,DB14063
7384,7384,7384,Not Available,[H][C@]1(N)CN(CCC2=CC=C3OCOC3=C2)C(=O)C[C@]1([H])C1=CC(F)=C(F)C=C1F,,Hydroquinone,DB07121
7385,7385,7385,Not Available,OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,,(1Z)-2-HYDROXY-3-OXOHEX-1-EN-1-YL DIHYDROGEN PHOSPHATE,DB01122
7386,7386,7386,Not Available,NC1=NC(=CS1)C1=CC=C(O)C=C1,,"(1-HYDROXYNONANE-1,1-DIYL)BIS(PHOSPHONIC ACID)",DB07015
7387,7387,7387,Not Available,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,Procaterol,DB09526
7388,7388,7388,Pavinetant has been used in trials studying the basic science and treatment of Safety and Schizophrenia.,CC[C@H](NC(=O)C1=C(NS(C)(=O)=O)C(=NC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1,,(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE,DB06581
7389,7389,7389,"5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Known drug targets of 5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole include genome polyprotein.",CC1=NOC(CCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1,,Metreleptin,DB01179
7390,7390,7390,Not Available,CNC(=O)C1=C(NC2=NC(NC3=CC=C(C=C3OC)N3CCOCC3)=NC=C2Cl)C=CC=C1,,Dinoprost,DB00699
7391,7391,7391,Not Available,[H][C@@]1(CC2=CC=C(C=C2)C(N)=N)CCCC[C@@]([H])(CC2=CC=C(C=C2)C(N)=N)C1=O,,SD118,DB00186
7392,7392,7392,Not Available,O[C@@H](C(O)=O)C1=CC=CC=C1,,phenyl ethenesulfonate,DB03202
7393,7393,7393,Not Available,NCCCCCCN,,Betaine,DB09140
7394,7394,7394,"An alkaloid that has actions similar to nicotine on nicotinic cholinergic receptors but is less potent. It has been proposed for a variety of therapeutic uses including in respiratory disorders, peripheral vascular disorders, insomnia, and smoking cessation. [PubChem]",CN1[C@H](C[C@H](O)C2=CC=CC=C2)CCC[C@@H]1CC(=O)C1=CC=CC=C1,,"4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine",DB02956
7395,7395,7395,Not Available,COC1=CC=CC=C1C1=CC(Cl)=C(NC(=O)C(\C#N)=C(\C)O)C=C1,,Sinefungin,DB07343
7396,7396,7396,Not Available,CC(C)C1=CC=C(N)C=C1,,"N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE",DB04070
7397,7397,7397,Not Available,[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O,,Ranitidine,DB05934
7398,7398,7398,Not Available,[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1,,trans-urocanic acid,DB09329
7399,7399,7399,Not Available,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(C)(C)CO[P@]([H])(O)=O,,Gibberellin A4,DB16668
7400,7400,7400,"Mometasone furoate is a corticosteroid used to treat asthma, allergic rhinitis, nasal congestion, nasal polyps, dermatitis, and pruritus.",[H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Ribulose-5-Phosphate,DB03559
7401,7401,7401,Nelfinavir is a viral protease inhibitor used in the treatment of HIV infection.,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C,,NXN-188,DB00515
7402,7402,7402,Not Available,[H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC1=CC=CC=C1,,"6,8-DIMERCAPTO-OCTANOIC ACID AMIDE",DB03915
7403,7403,7403,Not Available,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O,,Glucosamine 6-Phosphate,DB03555
7404,7404,7404,"Dalotuzumab has been investigated for the treatment of Breast Cancer, Non Small Cell Lung Cancer, and Metastatic Colorectal Cancer.",,,2-[(Dioxidophosphoranyl)oxy]benzoate,DB00652
7405,7405,7405,Ondansetron is a serotonin 5-HT3 receptor antagonist used to prevent nausea and vomiting in cancer chemotherapy and postoperatively.,CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2,,N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide,DB05964
7406,7406,7406,"Rifaximin is a rifamycin-based non-systemic antibiotic used for the treatment of gastrointestinal bacterial infections, such as traveler's diarrhea and irritable bowel syndrome, and reduction of overt hepatic encephalopathy recurrence in adults.",CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C1=C(N=C5C=C(C)C=CN15)C4=C3C2=O,,Camidanlumab tesirine,DB08374
7407,7407,7407,,CC(O)CO,,N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan,DB04850
7408,7408,7408,Evinacumab is a monoclonal antibody targeted against angiopoetin-like protein 3 (ANGPTL3) used as an adjunct with other lipid-lowering therapies for the treatment of homozygous familiar hypercholesterolemia.,,,Narsoplimab,DB02972
7409,7409,7409,Not Available,[H]N([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=O,,Glycinamide,DB08752
7410,7410,7410,"CT-322 is a proprietary Adnectin(TM) protein therapeutic that, in preclinical studies, specifically binds to vascular endothelial growth factor receptor 2 (VEGFR-2), which regulates the primary tumor angiogenesis pathway. As a result, CT-322 blocks all known ligands for VEGFR-2.",,,Pyrazole,DB07846
7411,7411,7411,Not Available,[H][C@](C#N)(C1=NC2=C(S1)C=CC=C2)C1=NC(NCCC2=CC=CN=C2)=NC=C1,,"BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE",DB08819
7412,7412,7412,Not Available,[H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O,,N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide,DB04456
7413,7413,7413,Not Available,CC1=CC(=O)OC2=CC=CC=C12,,"(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE",DB14635
7414,7414,7414,"Etodolac is an NSAID used to treat osteoarthritis and rheumatoid arthritis, as well as acute pain.",CCC1=C2NC3=C(CCOC3(CC)CC(O)=O)C2=CC=C1,,Chloroquine,DB05801
7415,7415,7415,Afamelanotide is an injectable subcutaneous implant used to mitigate phototoxicity secondary to erythropoietic protoporphyria (EPP).,CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O,,"7,8-Dihydroxy-1-Methoxy-3-Methyl-10-Oxo-4,10-Dihydro-1h,3h-Pyrano[4,3-B]Chromene-9-Carboxylic Acid",DB05042
7416,7416,7416,Not Available,C[C@]1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1,,Succinic acid,DB06864
7417,7417,7417,Not Available,CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1,,Alimemazine,DB06492
7418,7418,7418,Oxytocin is a recombinant hormone used to induce or strengthen uterine contractions in pregnant women to aid in labor and delivery or to control postpartum bleeding.,,CYIQNCPLG,alpha-maltotriose,DB07516
7419,7419,7419,Not Available,NC(N)=NCCCCNC(=O)C1=CSC(=N1)C1=CSC=N1,,PQ-10,DB03031
7420,7420,7420,Not Available,C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O,,Ocrelizumab,DB11823
7421,7421,7421,Not Available,CCCC1=C2ON=C(C2=CC=C1OCCCOC1=CC2=C(C=C1)N(CC(O)=O)C=C2)C(F)(F)F,,Pirenzepine,DB04182
7422,7422,7422,Not Available,CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@H](O)[C@@H]1O,,Seocalcitol,DB03008
7423,7423,7423,Not Available,NC1=NC=CC=C1NCC1=C(OCC2=NC=CC=C2)C=CC(=C1)C1=CC2=C(C=CN2)C=C1,,(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide,DB08615
7424,7424,7424,Not Available,CC(=O)C1=CC(F)=C(Cl)C=C1NCC(=O)NC1=CC=CC=C1C(O)=O,,"2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL",DB07732
7425,7425,7425,Desipramine is a tricyclic antidepressant used in the treatment of depression.,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12,,"3,9-Dimethyladenine",DB02034
7426,7426,7426,Not Available,[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)C1=CNC2=C1C=CC=C2,,Edoxudine,DB04565
7427,7427,7427,Toripalimab is a PD-1 blocking monoclonal antibody used for the treatment of metastatic and recurrent nasopharyngeal carcinomas.,,QGQLVQSGAEVKKPGASVKVSCKASGYTFTDYEMHWVRQAPIHGLEWIGVIESETGGTAYNQKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCAREGITTVATTYYWYFDVWGQGTTVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK,Insulin detemir,DB04844
7428,7428,7428,A nucleoside monophosphate sugar which donates N-acetylneuraminic acid to the terminal sugar of a ganglioside or glycoprotein. [PubChem],[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO,,3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol,DB05381
7429,7429,7429,Not Available,CN(C)C\C=C/C1=CC(F)=CC=C1S(=O)(=O)NC1=CC=C2CCCCC2=C1C(O)=O,,Balanol Analog 2,DB06941
7430,7430,7430,Not Available,OC(=O)CCCC1=CNC2=C1C=CC=C2,,Indoprofen,DB07561
7431,7431,7431,Not Available,,,RU78299,DB02130
7432,7432,7432,Not Available,OC(=O)C(=O)NC1=C(C=C(I)C=C1)C(O)=O,,5'-O-(L-Threonylsulfamoyl)adenosine,DB00698
7433,7433,7433,Not Available,C[C@H](O)CC(C)(C)O,,Desonide,DB03041
7434,7434,7434,Not Available,OC(=O)CNC(=O)NC1CCCCC1,,Zofenopril,DB02290
7435,7435,7435,Isoflavone is a biologically active phytoestrogen found in high concentrations in soy and other legumes.,O=C1C(=COC2=CC=CC=C12)C1=CC=CC=C1,,"[2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo[1,2-a]Pyridin-3-Yl]-Phenyl-Methanone",DB01896
7436,7436,7436,Difluprednate is a topical corticosteroid used for the symptomatic treatment of inflammation and pain associated with ocular surgery.,[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C,,MLN0415,DB07969
7437,7437,7437,Fosphenytoin is an antiepileptic agent used for the management of generalized convulsive status epilepticus and prevention and treatment of seizures occurring during neurosurgery.,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1,,"4,7-Dioxosebacic Acid",DB02247
7438,7438,7438,Not Available,NC1=NC(NCCC2=CC=C(O)C=C2)=NC2=NC(=NN12)C1=CC=CO1,,Uridine 5'-triphosphate,DB08113
7439,7439,7439,Not Available,NC1=C2N=CN(C3OC(CO[W](O)(=O)O[W](O)(O)=O)C(O)C3O)C2=NC=N1,,Valbenazine,DB01768
7440,7440,7440,Not Available,CC1=CC(=CC2=C1N=C(N2)C1=C(NCC2=NC=CC=C2)C=CNC1=O)N1C=CN=C1,,Hydroxyzine,DB07862
7441,7441,7441,Not Available,[H][C@]12C[C@](C[C@H](O1)C(O)=O)(C=C[C@H]2O)C(O)=O,,Forasartan,DB01825
7442,7442,7442,A narcotic analgesic with a long onset and duration of action. It is used mainly in the treatment of narcotic dependence.,CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,,Isoniazid,DB00877
7443,7443,7443,"Progesterone is a hormone used for a variety of functions, including contraception, control of abnormal uterine bleeding, maintenance of pregnancy, and prevention of endometrial hyperplasia.",[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,Cryptenamine,DB01405
7444,7444,7444,Not Available,CC1=CC=C2C(=C1)N=C1N(CC[C@@]1(O)C2=O)C1=CC=CC=C1,,Aplyronine A,DB04597
7445,7445,7445,Bexarotene is a retinoid drug used for cutaneous manifestations of T-cell lymphoma in patients who have not responded well to previous systemic therapy.,CC1=CC2=C(C=C1C(=C)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C,,"3,5-Dinitrocatechol",DB15690
7446,7446,7446,Alclometasone is a topical corticosteroid used to relieve the symptoms of corticosteroid-responsive dermatoses.,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C,,Mdl-29951,DB00220
7447,7447,7447,"Hetacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name ""penicillin"" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Hetacillin has in vitro activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Hetacillin results from the inhibition of cell wall synthesis and is mediated through Hetacillin binding to penicillin binding proteins (PBPs). Hetacillin has been withdrawn from the market since it has been discovered that it has no therapeutic advantage compared to non-ester derivatives like ampicillin.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O,,"(1R)-1-{[(4'-methoxy-1,1'-biphenyl-4-yl)sulfonyl]amino}-2-methylpropylphosphonic acid",DB04004
7448,7448,7448,Norgestimate is a progesterone used as a contraceptive and to treat acne vulgaris.,[H][C@@]12CC[C@@](OC(C)=O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O,,Quinine,DB07025
7449,7449,7449,"Benzylpenicillin is a penicillin used for the treatment of infections caused by gram-positive cocci, in particular streptococcal infections. This form of penicillin is typically used in intravenous or long-acting injectable formulations due to poor oral absorption.",[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1)C(O)=O,,Phenindione,DB07151
7450,7450,7450,Not Available,[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O,,Talazoparib,DB02510
7451,7451,7451,"CT-011 is a humanized monoclonal antibody directed against a B7 family-associated protein, in patients with advanced haematological malignancies. It is directed against human PD-1 (programmed cell death 1; PDCD1), with immunomodulating and antitumor activities.",,,Botulinum toxin type A,DB04334
7452,7452,7452,"Thioproperazine is an antipsychotic indicated for the management of acute and chronic schizophrenia, including cases that are refractory to more common neuroleptics. May also be used to treat manic syndromes.",CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(C)CC2)C=C1,,Bromazepam,DB04199
7453,7453,7453,Not Available,[H]N([H])CCCN1CCN(CCCN([H])C(=O)C2=CC(=CC(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C2)[N+]([O-])=O)CC1,,Diflunisal,DB05025
7454,7454,7454,Cidofovir is an antiviral agent used to treat Cytomegalovirus (CMV) retinitis in patients with AIDS.,NC1=NC(=O)N(C[C@@H](CO)OCP(O)(O)=O)C=C1,,Razuprotafib,DB13074
7455,7455,7455,Rotigotine is a non-selective dopamine agonist used for the treatment of Parkinson's Disease and Restless Leg Syndrome.,CCCN(CCC1=CC=CS1)[C@H]1CCC2=C(O)C=CC=C2C1,,Sufugolix,DB02823
7456,7456,7456,Not Available,OCCNC1=NC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1,,"1D-myo-inositol 1,4,5-trisphosphate",DB00439
7457,7457,7457,"Vofopitant has been used in trials studying the treatment of PTSD, Primary Insomnia, and Sleep Initiation and Maintenance Disorders.",COC1=CC=C(C=C1CN[C@H]1CCCN[C@H]1C1=CC=CC=C1)N1N=NN=C1C(F)(F)F,,FR-234938,DB00695
7458,7458,7458,Not Available,O1C=CC2=CC=CC=C12,,Regramostim,DB08283
7459,7459,7459,Not Available,CCCCCCCCCCCCS([O-])(=O)=O,,N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE,DB16628
7460,7460,7460,Not Available,[H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1,,Ceruletide,DB02017
7461,7461,7461,"Darolutamide is an androgen receptor antagonist used for castration-resistant, non-metastatic prostate cancer and metastatic hormone-sensitive prostate cancer.",C[C@@H](CN1C=CC(=N1)C1=CC=C(C#N)C(Cl)=C1)NC(=O)C1=NNC(=C1)C(C)O,,N-[3-(aminomethyl)benzyl]acetamidine,DB01779
7462,7462,7462,Not Available,CCCCNC1=CC(C)=NC2=NC(NC3=CC(Cl)=CC=C3C)=NN12,,4-(2-Aminoethyl)Benzenesulfonyl Fluoride,DB02990
7463,7463,7463,Pipradrol is a central nervous stimulant ingredient in a product used to treat functional fatigue.,[H]N1CCCCC1C(O)(C1=CC=CC=C1)C1=CC=CC=C1,,"N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine",DB00970
7464,7464,7464,Not Available,CC1=CC=C(C=C1C(=O)NC1=CN=C(N)C=C1)C(=O)NCCC1CCCC1,,Ibrutinib,DB08540
7465,7465,7465,Riboflavin is a vitamin used to correct vitamin B2 deficiency.,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,,Oxitriptan,DB11567
7466,7466,7466,2'-Deoxyuridine. An antimetabolite that is converted to deoxyuridine triphosphate during DNA synthesis. Laboratory suppression of deoxyuridine is used to diagnose megaloblastic anemias due to vitamin B12 and folate deficiencies. [PubChem],OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,,Mavorixafor,DB13994
7467,7467,7467,"Omapatrilat is an investigational drug that inhibits both neutral endopeptidase (NEP) and angiotensin converting enzyme (ACE). The inhibition of NEP elevates natriuretic peptide levels, increasing excretion of sodium in urine, dilating blood vessels, and reducing preload and ventricular remodeling. This drug from BMS was not approved by the FDA due to angioedema safety concerns.",[H][C@]12CCC[C@H](N1C(=O)[C@H](CCS2)NC(=O)[C@@H](S)CC1=CC=CC=C1)C(O)=O,,4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID,DB09231
7468,7468,7468,Not Available,NCCOCCOCCNC(=O)C1=CC=C(C=C1)S(N)(=O)=O,,(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone,DB00242
7469,7469,7469,"This solid compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. This substance targets the protein interleukin-2.",[H]N=C(N([H])[H])N1CCC[C@H](CC(=O)N([H])[C@@H](CC2=CC=C(C=C2)C#CC2=CC=CC=C2)C(=O)OC)C1,,Pyroxamide,DB00323
7470,7470,7470,Prednisone is a corticosteroid used to treat inflammation or immune-mediated reactions and to treat endocrine or neoplastic diseases.,[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C,,Finafloxacin,DB00982
7471,7471,7471,Not Available,[H][C@@](N)(COC1=CN=CC(=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CNC2=CC=CC=C12,,"3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole",DB11591
7472,7472,7472,Not Available,[H][C@@](CCCC)(CO[P@](O)(=O)OCCO)NC(=O)CCCCCCCCCCC,,2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID,DB00664
7473,7473,7473,Lusutrombopag is a medication used to treat thrombocytopenia in patients with chronic liver disease scheduled to have a procedure.,CCCCCCO[C@@H](C)C1=C(OC)C(=CC=C1)C1=CSC(NC(=O)C2=CC(Cl)=C(\C=C(/C)C(O)=O)C(Cl)=C2)=N1,,NADPH,DB03600
7474,7474,7474,Serdexmethylphenidate is a prodrug of the CNS stimulant dexmethylphenidate used as a first-line treatment for Attention Deficit Hyperactivity Disorder (ADHD).,[H][C@@]1(CCCCN1C(=O)OC[N+]1=CC=CC(=C1)C(=O)N[C@@H](CO)C([O-])=O)[C@H](C(=O)OC)C1=CC=CC=C1,,"9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE",DB02820
7475,7475,7475,AME-527 is a humanized monoclonal antibody that recognizes human TNF-alpha (hTNF-alpha) with high affinity and specificity. AME-527 was generated by protein engineering and identified from a library of antibody variants based on its improved binding properties.,,,3-Butylthiolane 1-Oxide,DB16698
7476,7476,7476,"Pergolide is a long-acting dopamine agonist that is uncommonly used for the management of Parkinson's disease, due to the risk for cardiac valvulopathy.",[H][C@@]12CC3=CNC4=CC=CC(=C34)[C@@]1([H])C[C@@H](CSC)CN2CCC,,2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE,DB02228
7477,7477,7477,Not Available,[H][C@@]12CC3=C4C(NC=C4[C@]1([H])[C@]1([H])N(C(O)=C(C(C)=O)C1=O)C2(C)C)=CC=C3,,Pardoprunox,DB14881
7478,7478,7478,Not Available,CC(=O)N[C@@H](CC1=CC=C(OP(O)(O)=O)C=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,"4-{5-[(Z)-(2-Imino-4-Oxo-1,3-Thiazolidin-5-Ylidene)methyl]-2-Furyl}-N-Methylbenzenesulfonamide",DB01811
7479,7479,7479,Not Available,[H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1,,Glycerol 2-phosphate,DB03461
7480,7480,7480,Aprotinin is a serine protease inhibitor used to reduce the risk for perioperative blood loss and the need for blood transfusion in high-risk patients during cardiopulmonary bypass for coronary artery bypass graft surgery.,,RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA,Scopolamine,DB07597
7481,7481,7481,"PA1050040, a second generation HIV-1 maturation inhibitor, is a chemical analog of Bevirimat (BVM). It inhibits virus replication by the same mechanism of action as BVM.",,,RWJ-56423,DB01489
7482,7482,7482,"Propacetamol is a non-opioid analgesic devoid of the major contraindications.1 It is a derivative of acetaminophen, or paracetamol, with the molecular formula glycine, N, N-diethyl-,4-(acetylamino)phenyl ester. Propacetamol is a parenteral formulation of paracetamol and thus, it is a prodrug that is completely hydrolyzed to paracetamol.3 It is not available in the United States but this prodrug has been widely used in other countries such as France since 1985.5",CCN(CC)CC(=O)OC1=CC=C(NC(C)=O)C=C1,,Prochlorperazine,DB11758
7483,7483,7483,Zolmitriptan is a member of the triptan class of 5-HT(1B/1D/1F) receptor agonist drugs used for the acute treatment of migraine with or without aura in adults.,CN(C)CCC1=CNC2=CC=C(C[C@H]3COC(=O)N3)C=C12,,"(2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE",DB08024
7484,7484,7484,Not Available,CN(C)C(=O)COC1=CC=C2CC[C@@H](CC2=C1)NC[C@H](O)C1=CC=C(O)C(CCO)=C1,,Infigratinib,DB14066
7485,7485,7485,Not Available,CO[C@]1(NC(=O)[C@H](C(O)=O)C2=CC=C(O)C=C2)[C@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O,,"(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE",DB04203
7486,7486,7486,Not Available,[H][C@@](CC1=CC=CC(C(O)=O)=C1O)(NC(C)=O)B(O)O,,p-Benzoyl-L-phenylalanine,DB01055
7487,7487,7487,"Tapentadol is an opioid used to manage severe pain that has not responded to non-opioid medications, and for which opioid analgesic therapy is appropriate.",CC[C@H]([C@@H](C)CN(C)C)C1=CC(O)=CC=C1,,1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one,DB04733
7488,7488,7488,"The decarboxylation product of UDPglucuronic acid, which is used for formation of the xylosides of seryl hydroxyl groups in mucoprotein synthesis. Also forms plant xylans.",O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,,4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID,DB07856
7489,7489,7489,Not Available,NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC1=C(F)C=CC=C1F,,Antipyrine,DB04738
7490,7490,7490,"2,2':6',2''-terpyridine Platinum(Ii) is a solid. Known drug targets of 2,2':6',2''-Terpyridine Platinum(Ii) include truncated transposase and autolysin.",[Cl-].[Pt++].C1=CC=C(N=C1)C1=CC=CC(=N1)C1=CC=CC=N1,,L-Threonohydroxamate 4-Phosphate,DB02341
7491,7491,7491,Not Available,N[C@@H](CCCCC(O)=O)C(O)=O,,Fospropofol,DB02162
7492,7492,7492,"Danoprevir has been used in trials studying the treatment of Hepatitis C, Chronic.",CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)OC(=O)N1CC2=CC=CC(F)=C2C1)C(=O)NS(=O)(=O)C1CC1,,"3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-2(1H)-one",DB04501
7493,7493,7493,"ADX10059 is a metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator (NAM). The orally available small molecule drug candidate, which is highly specific for mGluR5, was discovered at Addex in 2003. It is developed for the treatment of GERD, migraine and anxiety.",,,"[(3S)-3-(Methylcarbamoyl)-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,2,3,4-tetrahydro-7-isoquinolinyl]sulfamic acid",DB03286
7494,7494,7494,"Arachidonic Acid is a natural fatty acid that plays an essential role in physiological homeostases, such as repair and growth of cells.",CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,,D-arginine,DB06965
7495,7495,7495,"Framycetin is an aminoglycoside antibiotic used in various formulations and combinations with other agents to treat hemorrhoids, eye and ear infections, and to reduce nasal carriage of staphylococcus.",NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,,{1-[(3-Hydroxy-Methyl-5-Phosphonooxy-Methyl-Pyridin-4-Ylmethyl)-Amino]-Ethyl}-Phosphonic Acid,DB04168
7496,7496,7496,Not Available,[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(SC)[C@]([H])(O)[C@@]1([H])O,,"(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL",DB08350
7497,7497,7497,Not Available,[Zn++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C=C)C(C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C)=C4C=C)/C(C)=C3CCC(O)=O,,4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE,DB01735
7498,7498,7498,Aclidinium is an inhaled long-acting anticholinergic used as a maintenance bronchodilator in patients with chronic obstructive pulmonary disease (COPD).,OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1,,"2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL",DB02706
7499,7499,7499,"Propoxycaine is a local anesthetic of the ester type that has a rapid onset of action and a longer duration of action than procaine hydrochloride 3. This drug was removed from the US market in 1996. Although no longer available in the United States, this medication was used in combination with procaine to aid in anesthesia during dental procedures 5. Used in combination with procaine, it was the only dental local anesthetic available in cartridge form 5.",CCCOC1=CC(N)=CC=C1C(=O)OCCN(CC)CC,,Tolazoline,DB02127
7500,7500,7500,Aminocaproic acid is an antifibrinolytic agent used to induce clotting postoperatively.,NCCCCCC(O)=O,,CX516,DB11623
7501,7501,7501,Glofitamab is a bispecific monoclonal antibody directed against CD20 and CD3 which is used for the treatment of relapsed or refractory diffuse large B-cell lymphoma.,,QVQLVQSGAEVKKPGSSVKVSCKASGYAFSYSWINWVRQAPGQGLEWMGRIFPGDGDTDYNGKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCARNVFDGYWLVYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVEDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDEKVEPKSCDGGGGSGGGGSQAVVTQEPSLTVSPGGTVTLTCGSSTGAVTTSNYANWVQEKPGQAFRGLIGGTNKRAPGTPARFSGSLLGGKAALTLSGAQPEDEAEYYCALWYSNLWVFGGGTKLTVLSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALGAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Monothioglycerol,DB01742
7502,7502,7502,Rupatadine is a selective histamine H1 receptor antagonist and platelet activating factor (PAF) antagonist used to treat allergic rhinitis.,CC1=CC(CN2CCC(CC2)=C2C3=CC=C(Cl)C=C3CCC3=C2N=CC=C3)=CN=C1,,RO-4584820,DB08031
7503,7503,7503,Not Available,CCCOC(C)=O,,THIO-ATPA,DB08410
7504,7504,7504,Not Available,[H][C@@]1(F)C(F)=CC=C(C(=O)NOCCO)\C1=N\C1=C(F)C=C(I)C=C1,,"(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",DB07495
7505,7505,7505,Not Available,[H][C@](O)(CO)COP(O)(=O)OCCN,,Rescinnamine,DB01388
7506,7506,7506,Not Available,OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O,,Golotimod,DB07494
7507,7507,7507,Not Available,CCOCCOC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)C[C@]1(CC2=CC=CC=C2)NC=C([C@@H]2[C@@H]3OC(=O)N[C@@H]3C3=CC=CC=C23)C1=O,,"5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide",DB03664
7508,7508,7508,Not Available,OC1=CC=CC=C1O,,OSI-461,DB03902
7509,7509,7509,Not Available,,,Saprisartan,DB00701
7510,7510,7510,Not Available,OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C(O)=C2)=C1,,N-Valeric Acid,DB06920
7511,7511,7511,Not Available,OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O,,Hepatitis B immune globulin,DB06414
7512,7512,7512,"Voxelotor is a drug used to inhibit the polymerization of hemoglobin S, preventing the painful and sometimes lethal vaso-occlusive crises associated with sickle cell disease.",CC(C)N1N=CC=C1C1=C(COC2=CC=CC(O)=C2C=O)C=CC=N1,,D-tartaric acid,DB02563
7513,7513,7513,Brincidofovir is an oral lipid prodrug of cidofovir used in the treatment of human smallpox disease.,CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](CO)CN1C=CC(N)=NC1=O,,"{4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID",DB02713
7514,7514,7514,Antithymocyte immunoglobulin (rabbit) is a purified form of rabbit anti-thymocyte antibodies used for immunosuppression in patients receiving kidney transplants.,,,"N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE",DB02218
7515,7515,7515,Not Available,O=NC(=O)CNS(=O)(=O)C1=CC=CC=C1,,Auranofin,DB00857
7516,7516,7516,Not Available,C[S@@](=O)CC[C@H](N)C(O)=O,,(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE,DB03421
7517,7517,7517,Tropicamide is a muscarinic receptor antagonist used to induce mydriasis and cycloplegia for diagnostic procedures.,CCN(CC1=CC=NC=C1)C(=O)C(CO)C1=CC=CC=C1,,Vidarabine,DB02073
7518,7518,7518,Not Available,CCOC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C(O)=O)=C(F)C(O[C@@H]2CCOC2)=C1,,4-Methyl-5-Hydroxyethylthiazole Phosphate,DB05259
7519,7519,7519,Not Available,[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1,,"4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL",DB09066
7520,7520,7520,"Theophylline is a xanthine used to manage the symptoms of asthma, COPD, and other lung conditions caused by reversible airflow obstruction.",CN1C2=C(NC=N2)C(=O)N(C)C1=O,,Bafilomycin A1,DB00940
7521,7521,7521,5-(5-(4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. This medication is known to target genome polyprotein.,[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCC2=CC(C)=NO2)C=C1,,Benzoyl-tyrosine-alanine-fluoro-methyl ketone,DB02785
7522,7522,7522,Nateglinide is a meglitinide used to treat non insulin dependent diabetes mellitus.,CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O,,Ketazolam,DB13310
7523,7523,7523,"Avelumab is an anti-PD-L1 monoclonal antibody used to treat metastatic merkel cell carcinoma, metastatic urothelial carcinoma, or renal cell carcinoma.",,EVQLLESGGGLVQPGGSLRLSCAASGFTFSSYIMMWVRQAPGKGLEWVSSIYPSGGITFYADTVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARIKLGTVTTVDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK,Hydroflumethiazide,DB04650
7524,7524,7524,Not Available,O[C@H]1COC(O)[C@@H](O)[C@@H]1O,,4-Hydroxybutan-1-Aminium,DB08005
7525,7525,7525,Not Available,C[C@@H](OP(O)(O)=O)C(O)=O,,"N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide",DB04782
7526,7526,7526,"Pantoprazole is a proton pump inhibitor used to treat erosive esophagitis, gastric acid hypersecretion, and to promote healing of tissue damage caused by gastric acid.",COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1,,RPR128515,DB00479
7527,7527,7527,"The (R)-enantiomer of rolipram, it is a phosphodiesterase inhibitor with antidepressant properties.",[H][C@]1(CNC(=O)C1)C1=CC(OC2CCCC2)=C(OC)C=C1,,Oxogluric acid,DB05217
7528,7528,7528,Not Available,OB(O)CNC(=O)CC1=CC=CS1,,Meperidine,DB06707
7529,7529,7529,Pyrazinamide is an antituberculosis agent used as a component of tuberculosis (TB) treatment.,NC(=O)C1=NC=CN=C1,,2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE,DB04590
7530,7530,7530,Not Available,[H][C@]1(N)C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,Abexinostat,DB01324
7531,7531,7531,"Upadacitinib is an oral Janus kinase (JAK)1-selective inhibitor used in the treatment of moderate to severe rheumatoid arthritis, active psoriatic arthritis, ankylosing spondylitis, and severe atopic dermatitis, including in patients who did not respond well to other therapies.",CC[C@@H]1CN(C[C@@H]1C1=CN=C2C=NC3=C(C=CN3)N12)C(=O)NCC(F)(F)F,,"3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID",DB02197
7532,7532,7532,Levocarnitine is a quaternary ammonium compound used to treat carnitine deficiency or to stimulate gastric and pancreatic secretions in hyperlipoproteinemia.,C[N+](C)(C)C[C@H](O)CC([O-])=O,,V1003,DB02780
7533,7533,7533,Not Available,[H][C@]1(C)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N[C@@]1([H])C=C(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O,,MDX-1303,DB03702
7534,7534,7534,"The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some vascular smooth muscle. (From Dictionary of Prostaglandins and Related Compounds, 1990)",CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O,,Tetomilast,DB02667
7535,7535,7535,Not Available,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O)C(C)=O,,Ginseng,DB03815
7536,7536,7536,Xanthine is a drug used to manage uncomplicated liver dysfunction in combination with orotic acid.,O=C1NC2=C(NC=N2)C(=O)N1,,"3-(4-Amino-1-Tert-Butyl-1h-Pyrazolo[3,4-D]Pyrimidin-3-Yl)Phenol",DB00193
7537,7537,7537,Not Available,[H][C@@](CC(O)=O)(C[N+](C)(C)C)OC(=O)CCCCCCC,,"3,5-Difluoroaniline",DB00988
7538,7538,7538,Not Available,NC(=[NH2+])C1=C(Cl)C=C2NC(=CC2=C1)C1=CC=CC(OC2CCCC2)=C1[O-],,Guanosine,DB07487
7539,7539,7539,Not Available,N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1,,4-{[1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl]-Amino}-Benzamidine,DB03848
7540,7540,7540,Halcinonide is a corticosteroid used for the management and symptomatic relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses.,[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C,,LFA703,DB09120
7541,7541,7541,Not Available,[H][C@@](C)(N1CC[C@]([H])(NS(=O)(=O)C2=NNC(=N2)C2=CC=C(Cl)S2)C1=O)C(=O)N1CCOCC1,,Butylscopolamine,DB02332
7542,7542,7542,Not Available,[H][C@](C)(C[C@]([H])(C)[C@@]([H])(Cl)CCl)C(=O)C1=C(O)C(OC)=C(NC1=O)OC,,"2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole",DB04241
7543,7543,7543,Not Available,CC(C)C[C@@H](C)N,,"N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide",DB06942
7544,7544,7544,Not Available,[H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O,,Phloretin,DB02836
7545,7545,7545,Not Available,C\C=C\C[C@]([H])(C(C)=O)N1N=NC(=C1)[C@](C)(C(C)C)NC(=O)C1=CC=CC=C1,,WRR-99,DB07849
7546,7546,7546,Pramlintide is an amylin analog used for the management of type 1 and type 2 diabetes mellitus as an adjunct to preprandial insulin therapy in patients without adequate glycemic control of insulin therapy.,[H]N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(N)=O,,6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE,DB07430
7547,7547,7547,Not Available,NS(=O)(=O)C1=CC=C(CCC(O)=O)C=C1,,"3-(3,4-dimethoxyphenyl)propanoic acid",DB14939
7548,7548,7548,"Acyclovir is a guanosine analog used to treat herpes simplex, varicella zoster, herpes zoster.",NC1=NC(=O)C2=C(N1)N(COCCO)C=N2,,Hexadecanesulfonyl fluoride,DB04033
7549,7549,7549,"Doxofylline is a methylxanthine derivative used in chronic obstructive pulmonary disease, asthma, and bronchospasms.",CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O,,Ramipril,DB08901
7550,7550,7550,Not Available,CC(C)(C)C1=C(O)C=CC(O)=C1,,D-Phenylalanine,DB07085
7551,7551,7551,Not Available,[H][C@](OC(C)=O)(C(=O)OC)C1=CC=C(N)C=C1C(O)=O,,"6-Chloropurine Riboside, 5'-Monophosphate",DB01644
7552,7552,7552,Flurazepam is a long-acting benzodiazepine with a rapid onset of action that is commonly used to treat insomnia.,CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F,,Olmesartan,DB04481
7553,7553,7553,L-Baclofen has been used in trials studying the treatment of Trigeminal Neuralgia.,NC[C@@H](CC(O)=O)C1=CC=C(Cl)C=C1,,3-Indolebutyric Acid,DB12872
7554,7554,7554,"Botulinum toxin type A is a purified form of botulinum toxin type A used to block acetylcholine release in the treatment of chronic sialorrhea, muscle spasticity, and dystonia, as well as in cosmetic applications.",,MPFVNKQFNYKDPVNGVDIAYIKIPNVGQMQPVKAFKIHNKIWVIPERDTFTNPEEGDLNPPPEAKQVPVSYYDSTYLSTDNEKDNYLKGVTKLFERIYSTDLGRMLLTSIVRGIPFWGGSTIDTELKVIDTNCINVIQPDGSYRSEELNLVIIGPSADIIQFECKSFGHEVLNLTRNGYGSTQYIRFSPDFTFGFEESLEVDTNPLLGAGKFATDPAVTLAHELIHAGHRLYGIAINPNRVFKVNTNAYYEMSGLEVSFEELRTFGGHDAKFIDSLQENEFRLYYYNKFKDIASTLNKAKSIVGTTASLQYMKNVFKEKYLLSEDTSGKFSVDKLKFDKLYKMLTEIYTEDNFVKFFKVLNRKTYLNFDKAVFKINIVPKVNYTIYDGFNLRNTNLAANFNGQNTEINNMNFTKLKNFTGLFEFYKLLCVRGIITSKTKSLDKGYNKALNDLCIKVNNWDLFFSPSEDNFTNDLNKGEEITSDTNIEAAEENISLDLIQQYYLTFNFDNEPENISIENLSSDIIGQLELMPNIERFPNGKKYELDKYTMFHYLRAQEFEHGKSRIALTNSVNEALLNPSRVYTFFSSDYVKKVNKATEAAMFLGWVEQLVYDFTDETSEVSTTDKIADITIIIPYIGPALNIGNMLYKDDFVGALIFSGAVILLEFIPEIAIPVLGTFALVSYIANKVLTVQTIDNALSKRNEKWDEVYKYIVTNWLAKVNTQIDLIRKKMKEALENQAEATKAIINYQYNQYTEEEKNNINFNIDDLSSKLNESINKAMININKFLNQCSVSYLMNSMIPYGVKRLEDFDASLKDALLKYIYDNRGTLIGQVDRLKDKVNNTLSTDIPFQLSKYVDNQRLLSTFTEYIKNIINTSILNLRYESNHLIDLSRYASKINIGSKVNFDPIDKNQIQLFNLESSKIEVILKNAIVYNSMYENFSTSFWIRIPKYFNSISLNNEYTIINCMENNSGWKVSLNYGEIIWTLQDTQEIKQRVVFKYSQMINISDYINRWIFVTITNNRLNNSKIYINGRLIDQKPISNLGNIHASNNIMFKLDGCRDTHRYIWIKYFNLFDKELNEKEIKDLYDNQSNSGILKDFWGDYLQYDKPYYMLNLYDPNKYVDVNNVGIRGYMYLKGPRGSVMTTNIYLNSSLYRGTKFIIKKYASGNKDNIVRNNDRVYINVVVKNKEYRLATNASQAGVEKILSALEIPDVGNLSQVVVMKSKNDQGITNKCKMNLQDNNGNDIGFIGFHQFNNIAKLVASNWYNRQIERSSRTLGCSWEFIPVDDGWGERPL,Salmon calcitonin,DB11201
7555,7555,7555,Not Available,CCCCN1C(CC2=CC(OC)=CC=C2OC)=NC2=C(N)N=CN=C12,,Envafolimab,DB07360
7556,7556,7556,Not Available,[H]N1C(=O)N(CCC[C@H](N(O)CO)C(O)=O)C(=O)[C@]11O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,Hydrocortisone phosphate,DB06643
7557,7557,7557,Not Available,,,Progabide,DB02895
7558,7558,7558,Not Available,CC(=O)N[C@H](CC1=CC=CC2=C1C=CC=C2)[B-](O)(O)OC[C@H](N)C(O)=O,,8-anilinonaphthalene-1-sulfonic acid,DB03798
7559,7559,7559,Not Available,[H][C@](C)(OC1=C(SC(=C1)N1C=NC2=CC(OC)=C(OC)C=C12)C(N)=O)C1=CC=CC=C1Cl,,S-adenosyl-L-homocysteine,DB05806
7560,7560,7560,Not Available,CC(C)(C)N1[NH+]=C(C2=C1N=CN=C2N)C1=CC=C(Cl)C=C1,,Gepirone,DB03781
7561,7561,7561,A MET receptor tyrosine kinase inhibitor.,CN1C=C(C=N1)C1=NN2C(SC3=CC=C4N=CC=CC4=C3)=NN=C2C=C1,,Idraparinux,DB18236
7562,7562,7562,Fosamprenavir is an antiretroviral agent used for the treatment and postexposure prophylaxis of human immunodeficiency virus (HIV-1) infection.,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1,,Urea C-13,DB04409
7563,7563,7563,"Spaglumic acid is the β-aspartyl isoform of N-Acetyl-l-aspartylglutamate, a naturally occurring neurotransmitter, used in allergic eye conditions due to its ability to stabilize mast cells.",CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O,,CP-271485,DB03496
7564,7564,7564,Rivenprost is under investigation in clinical trial NCT00296556 (Therapeutic Study of ONO-4819CD for Ulcerative Colitis).,COCC1=CC=CC(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(=O)OC)=C1,,OPC-51803,DB05487
7565,7565,7565,Not Available,CNC1=C(C(=O)NC(N)=N1)[N+]([O-])=O,,(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid,DB05990
7566,7566,7566,Asoprisnil (J867) is a selective progesterone receptor modulator. It can be used to treat progesterone sensitive myomata.,[H]\C(=N/O)C1=CC=C(C=C1)[C@@]1([H])C[C@@]2(C)[C@@]([H])(CC[C@]2(COC)OC)[C@]2([H])CCC3=CC(=O)CCC3=C12,,S-Methyl Phosphocysteine,DB08773
7567,7567,7567,Lubiprostone is a prostaglandin derivative used to treat constipation caused by irritable bowel syndrome and opioid-use.,[H][C@@]12CC(=O)[C@H](CCCCCCC(O)=O)[C@@]1([H])CC[C@@](O)(O2)C(F)(F)CCCC,,(2S)-2-(3-Carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid,DB08282
7568,7568,7568,Not Available,C[C@](O)(CBr)CCO[P@](O)(=O)OP(O)(O)=O,,"Cis-[4,5-Bis-(4-Bromophenyl)-2-(2-Ethoxy-4-Methoxyphenyl)-4,5-Dihydroimidazol-1-Yl]-[4-(2-Hydroxyethyl)Piperazin-1-Yl]Methanone",DB08530
7569,7569,7569,Loncastuximab tesirine is an antibody-drug conjugate used for the treatment of relapsed and refractory B-cell lymphomas.,,,{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid,DB14597
7570,7570,7570,"Dimetacrine is also known as dimethacrine or acripamine. It is marketed under the names Istonil, Istonyl, Linostil, and Miroistonil. Dimetacrine is a tricyclic antidepressant (TCA) with imipramine-like effects used in Europe for the treatment of depression. Dimetacrine is no longer used in Japan.",CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12,,S-(Methylmercury)-L-Cysteine,DB00397
7571,7571,7571,Xanthinol is a vasodilatory niacin found in diet supplements.,CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,,"4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE",DB08738
7572,7572,7572,Not Available,,,2H-Benzimidazol-2-amine,DB00578
7573,7573,7573,"Methantheline is a synthetic antispasmodic. Antispasmodics are used to relieve cramps or spasms of the stomach, intestines, and bladder. Methantheline is used to treat intestine or stomach ulcers (peptic ulcer disease), intestine problems (irritable bowel syndrome), pancreatitis, gastritis, biliary dyskinesia, pylorosplasm, or urinary problems (reflex neurogenic bladder in children).",CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12,,Aluminum acetate,DB07812
7574,7574,7574,Not Available,[H][C@@]1(CCCC[C@@]1([H])NC(=O)C1=NC2=C(CN(C)CC2)S1)NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2,,"4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE",DB08497
7575,7575,7575,Not Available,[H]N([H])C1=NC(=O)C2=C(N([H])CC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C(N=CN=C34)N([H])[H])=N2)N1[H],,5-hydroxynaphthalene-1-sulfonamide,DB07769
7576,7576,7576,"CHS-828 has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.",ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1,,"2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE",DB03479
7577,7577,7577,Nicergoline is an ergot derivative use for the treatment of symptoms associated with cerebrovascular abnormalities.,[H][C@@]12CC3=CN(C)C4=CC=CC(=C34)[C@]1(C[C@@H](COC(=O)C1=CN=CC(Br)=C1)CN2C)OC,,CGS-27023,DB15570
7578,7578,7578,"Brasofensine is an orally administered dopamine reuptake inhibitor being developed for the treatment of Parkinson's Disease. Phase I/II trials for brasofensine have been completed in the U.K. In November 2001, NeuroSearch confirmed that the drug's development was discontinued in favor of NS 2230.",[H][C@@]12CC[C@@]([H])(N1C)[C@]([H])(\C=N\OC)[C@H](C2)C1=CC(Cl)=C(Cl)C=C1,,2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE,DB03551
7579,7579,7579,Not Available,COC1=CC=C2C[C@@H]3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)[C@H]5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(OC)C(OC)=C4,,3-(INDOL-3-YL) LACTATE,DB02030
7580,7580,7580,Not Available,CC(O)C(NCC1=C(COP(O)(O)=O)C=NC(C)=C1O)C(O)=O,,Fesoterodine,DB05777
7581,7581,7581,Perifosine is a novel alkylphospholipid with antiproliferative properties attributed to protein kinase B inhibition.,CCCCCCCCCCCCCCCCCCOP([O-])(=O)OC1CC[N+](C)(C)CC1,,Oxaprozin,DB08065
7582,7582,7582,Not Available,[H]N([H])C(=NCCS[C@@H](CC(O)=O)C(O)=O)N([H])[H],,Bosutinib,DB08212
7583,7583,7583,Not Available,[H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@]2([H])O[P@](O)(=O)O[C@@]12[H],,"(S)-2-Amino-3-(1,3,5,7-Pentahydro-2,4-Dioxo-Cyclopenta[E]Pyrimidin-1-Yl) Proionic Acid",DB06955
7584,7584,7584,Not Available,OB(O)CCC1=CC=CC=C1,,"(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine",DB07524
7585,7585,7585,Not Available,N[C@@H](CCCCNC(C(O)=O)C(O)=O)C(O)=O,,"N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylacetamide",DB03283
7586,7586,7586,Not Available,OC(=O)C(=O)NC1=CC2=C(C=CC=C2)C=C1C(O)=O,,"(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine",DB00862
7587,7587,7587,"Ulixertinib is a a novel, reversible, ATP-competitive ERK1/2 inhibitor with high potency and ERK1/2 selectivity 1. It is currently in clinical trials for the treatment of a wide range of tumors.",[H]N([C@H](CO)C1=CC(Cl)=CC=C1)C(=O)C1=CC(=CN1[H])C1=CC(=NC=C1Cl)N([H])C(C)C,,CRA_1801,DB07894
7588,7588,7588,Not Available,[H][C@]1(CN(C)CCCCON)O[C@@]([H])(N2C(C=C)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-2-ENYL}OXY)PHENYL]METHANONE,DB15770
7589,7589,7589,Apadamtase alfa is a recombinant human ADAMTS13 for enzyme replacement therapy in patients with congenital thrombotic thrombocytopenic purpura.,,AAGGILHLELLVAVGPDVFQAHQEDTERYVLTNLNIGAELLRDPSLGAQFRVHLVKMVILTEPEGAPNITANLTSSLLSVCGWSQTINPEDDTDPGHADLVLYITRFDLELPDGNRQVRGVTQLGGACSPTWSCLITEDTGFDLGVTIAHEIGHSFGLEHDGAPGSGCGPSGHVMASDGAAPRAGLAWSPCSRRQLLSLLSAGRARCVWDPPRPQPGSAGHPPDAQPGLYYSANEQCRVAFGPKAVACTFAREHLDMCQALSCHTDPLDQSSCSRLLVPLLDGTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSCGGGVVTRRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQCARTDGQPLRSSPGGASFYHWGAAVPHSQGDALCRHMCRAIGESFIMKRGDSFLDGTRCMPSGPREDGTLSLCVSGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSPRKGSFTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAGKMSISPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQVYRRYGEEYGNLTRPDITFTYFQPKPRQAWVWAAVRGPCSVSCGAGLRWVNYSCLDQARKELVETVQCQGSQQPPAWPEACVLEPCPPYWAVGDFGPCSASCGGGLRERPVRCVEAQGSLLKTLPPARCRAGAQQPAVALETCNPQPCPARWEVSEPSSCTSAGGAGLALENETCVPGADGLEAPVTEGPGSVDEKLPAPEPCVGMSCPPGWGHLDATSAGEKAPSPWGSIRTGAQAAHVWTPAAGSCSVSCGRGLMELRFLCMDSALRVPVQEELCGLASKPGSRREVCQAVPCPARWQYKLAACSVSCGRGVVRRILYCARAHGEDDGEEILLDTQCQGLPRPEPQEACSLEPCPPRWKVMSLGPCSASCGLGTARRSVACVQLDQGQDVEVDEAACAALVRPEASVPCLIADCTYRWHVGTWMECSVSCGDGIQRRRDTCLGPQAQAPVPADFCQHLPKPVTVRGCWAGPCVGQGTPSLVPHEEAAAPGRTTATPAGASLEWSQARGLLFSPAPQPRRLLPGPQENSVQSSACGRQHLEPTGTIDMRGPGQADCAVAIGRPLGEVVTLRVLESSLNCSAGDMLLLWGRLTWRKMCRKLLDMTFSSKTNTLVVRQRCGRPGGGVLLRYGSQLAPETFYRECDMQLFGPWGEIVSPSLSPATSNAGGCRLFINVAPHARIAIHALATNMGAGTEGANASYILIRDTHSLRTTAFHGQQVLYWESESSQAEMEFSEGFLKAQASLRGQYWTLQSWVPEMQDPQSWKGKEGT,Efgartigimod alfa,DB01764
7590,7590,7590,Not Available,[H][C@](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)NC(N)=N3)C=C1)(C(C)C)C(O)=O,,L-Phospholactate,DB01303
7591,7591,7591,Not Available,[H][C@@]1(CCCCC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)SC[C@]2([H])NC(=O)N[C@]12[H],,1-(1-phenylcyclopentyl)methylamine,DB11914
7592,7592,7592,Not Available,[H][C@]1(O)O[C@]([H])(C(O)=O)[C@@]([H])(OC)[C@]([H])(O)[C@@]1([H])O,,"5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine",DB02671
7593,7593,7593,Not Available,SC1=NC=CC=C1,,Lenvatinib,DB06938
7594,7594,7594,Not Available,[H][C@]1(CO)CC2=CC=C(C=C2CN1)S(=O)(=O)NC1=CC=C(Cl)C=C1,,"TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL",DB07750
7595,7595,7595,Ergocalciferol is a vitamin found in many supplement products.,CC(C)[C@@H](C)\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C,,Paromomycin,DB09107
7596,7596,7596,Not Available,[H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=C1,,Gonadorelin,DB00042
7597,7597,7597,Not Available,OC(=O)CCC1C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2,,5-(2-CHLOROBENZYL)-2-FUROIC ACID,DB12077
7598,7598,7598,Not Available,,,N-Acetylmannosaminitol,DB04602
7599,7599,7599,Not Available,COC1=CC=C(C=C1)S(=O)(=O)N1C=C(CCC(O)=O)C2=CC(OC)=CC=C12,,Nizatidine,DB00839
7600,7600,7600,"Oxymetholone is an anabolic steroid used for the treatment of types of anemia, such as acquired aplastic anemia, congenital aplastic anemia, myelofibrosis, and the hypoplastic anemias.",[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)\C(C[C@]12C)=C/O,,N-Benzylformamide,DB06712
7601,7601,7601,Efavirenz is a non-nucleoside reverse transcriptase inhibitor used to treat HIV infection or prevent the spread of HIV.,FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1,,Phosphorylisopropane,DB00445
7602,7602,7602,Not Available,[H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)[C@@]([H])(O)C(\O)=C(\O)C(O)=O,,Cixutumumab,DB05097
7603,7603,7603,Not Available,[H][C@@](C)(O)[C@]([H])(CCC1=CC=CC2=C1OC(=N2)C1=CC=C(Cl)C=C1)N1C=NC(=C1)C(N)=O,,"N-Hydroxy-4-[(4-Methoxylphenyl)Sulfonyl]-2,2-Dimethyl-Hexahydro-1,4-Thiazepine-3(S)-Carboxamide",DB11745
7604,7604,7604,"3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 3-Methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole is known to target genome polyprotein.",C[C@@H]1COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1,,HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE,DB04759
7605,7605,7605,Lutetium Lu-177 vipivotide tetraxetan is a radioligand therapeutic agent used to treat prostate-specific membrane antigen (PSMA)-positive metastatic castration-resistant prostate cancer in adults.,,,"(3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate",DB08685
7606,7606,7606,Fosdenopterin is an exogenous form of cyclic pyranopterin monophosphate (cPMP) used as a replacement substrate in patients with molybdenum cofactor deficiency (MoCD) type A.,[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(NC(N)=NC3=O)N[C@]1([H])O2,,"2,6,8-Trimethyl-3-Amino-9-Benzyl-9-Methoxynonanoic Acid",DB03736
7607,7607,7607,"Ceforanide is administered parenterally. It has a longer elimination half-life than any currently available cephalosporin. Its activity is very similar to that of cefamandole, another second-generation cephalosporin antibiotic, except that ceforanide is less active against most gram-positive organisms. Many coliforms, including Escherichia coli, Klebsiella, Enterobacter, and Proteus, are susceptible to ceforanide, as are most strains of Salmonella, Shigella, Hemophilus, Citrobacter and Arizona species.",[H][C@]12SCC(CSC3=NN=NN3CC(O)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CC=C1CN)C(O)=O,,3-hydroxyisoxazole-4-carboxylic acid,DB03424
7608,7608,7608,Not Available,CC[Se]C(N)=N,,"(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one",DB02927
7609,7609,7609,Sitagliptin is an oral dipeptidyl peptidase-4 (DPP-4) inhibitor used for the management of type 2 diabetes mellitus.,N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC1=CC(F)=C(F)C=C1F,,(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID,DB12458
7610,7610,7610,Not Available,CC(=O)N[C@@H](CC1=CC(=C(C=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O,,N-Acetylmethionine,DB07404
7611,7611,7611,Not Available,C1OC2=C(O1)C=C(OC1=CC=NC(OC3=CC=C(C=C3)N3C=CN=C3)=N1)C=C2,,Etanercept,DB12098
7612,7612,7612,Not Available,[H][C@@]1(CO[C@](C)(OC1)C(O)=O)OC(=O)N1CCN(CC1)C(=O)O[C@@]1([H])CO[C@](C)(OC1)C(O)=O,,"(5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4(5H)-one",DB02114
7613,7613,7613,Not Available,,,D-Aspartic Acid,DB07632
7614,7614,7614,Teprotumumab is a fully human monoclonal antibody directed against insulin-like growth factor-1 receptor for the treatment of thyroid eye disease.,,,Gemfibrozil,DB08394
7615,7615,7615,"8-Chlorotheophylline is a stimulant drug of the xanthine chemical class, with physiological effects similar to caffeine. Its main use is in combination with Diphenhydramine as the antiemetic drug Dimenhydrinate. The stimulant properties of 8-chlorotheophylline are thought to ward off the drowsiness caused by diphenhydramine's anti-histamine activity in the central nervous system.",CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O,,(Diphosphono)Aminophosphonic Acid,DB05362
7616,7616,7616,Not Available,CC1=CC(=C(Cl)C=C1Cl)S(=O)(=O)C1=C(C=C(C=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,,S-Adenosyl-L-Homoselenocysteine,DB03485
7617,7617,7617,Not Available,[H][C@]12C[C@]1(CNC2)C1=CC(Cl)=C(Cl)C=C1,,Fructose -6-Phosphate,DB07641
7618,7618,7618,Benzophenone is an ingredient used in sunscreens to absorb UV radiation.,O=C(C1=CC=CC=C1)C1=CC=CC=C1,,2'-cytidylic acid,DB00250
7619,7619,7619,"Thiabendazole is a benzimidazole used in the treatment of strongyloides, cutaneous larva migrans, visceral larva migrans, and trichinosis infections.",N1C2=CC=CC=C2N=C1C1=CSC=N1,,Clorobiocin,DB05369
7620,7620,7620,Streptozocin is a nitrosourea antineoplastic agent used in the treatment of metastatic pancreatic islet cell carcinoma.,CN(N=O)C(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO,,Opaviraline,DB06984
7621,7621,7621,Not Available,OCC1=CC=C(Br)C=C1,,"6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE",DB08464
7622,7622,7622,Not Available,OCC(=O)N1CCC(CC1)C1=NNC(=C1C1=CC=NC=N1)C1=CC=C(Cl)C=C1,,"1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE",DB02711
7623,7623,7623,Sinapic acid is a matrix for matrix-assisted laser desorption technique for protein MW determination. It is also a constituent of propolis.,COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O,,[(1S)-4-[[Amino-[(2R)-2-amino-2-carboxyethyl]sulfanylmethylidene]amino]-1-carboxybutyl]azanium,DB07461
7624,7624,7624,Not Available,CC1=C2C=CC=CC2=C(CCC(O)=O)C2=C1C=CC=C2,,5'-S-[2-(decylamino)ethyl]-5'-thioadenosine,DB04058
7625,7625,7625,Gemfibrozil is a lipid regulator that is used in the reduction of serum triglyceride levels in high-risk patients with hyperlipidemia.,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,,Coagulation factor VII human,DB06043
7626,7626,7626,"GSK-364735 (Naphthyridinone) has been used in trials studying the treatment of HIV-1 Infection and Infection, Human Immunodeficiency Virus.",CN1C(=O)C(C(=O)NCCO)=C(O)C2=NC=C(CC3=CC=C(F)C=C3)C=C12,,(S)-camphor,DB05424
7627,7627,7627,"Micafungin is an antifungal agent used for the treatment of candidemia, acute disseminated candidiasis, and certain other invasive Candida infections, and for the prophylaxis of Candida infections during stem cell transplantation.",CCCCCOC1=CC=C(C=C1)C1=CC(=NO1)C1=CC=C(C=C1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)[C@@H](O)C1=CC(OS(O)(=O)=O)=C(O)C=C1)[C@H](O)CC(N)=O,,"5-(4-Methoxyphenoxy)-2,4-Quinazolinediamine",DB02133
7628,7628,7628,Not Available,NC(N)=NC1=CC=CC(=C1)C(CP(O)(=O)CCCC1=CC=CC=C1)C(O)=O,,t-Butylhydroquinone,DB08147
7629,7629,7629,5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,,Calanolide A,DB03000
7630,7630,7630,"TNX-901 is a therapeutic monoclonal antibodies designed to address significant unmet medical needs in the areas of asthma, allergy, inflammation and other diseases affecting the human immune system.",,,Ruxolitinib,DB05077
7631,7631,7631,Not Available,[H][C@]1(O)O[C@@]([H])(C(O)=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])OS(O)(=O)=O,,N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide,DB04538
7632,7632,7632,Not Available,CC(=O)N[C@@H](CC1=CC=C(C(=C1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCC2=CC(OCC3CCCCC3)=C(C=C12)C(N)=O,,Ceftolozane,DB11160
7633,7633,7633,Not Available,[H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OCCCCCCC3CCCCC3)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O,,Tryptophanyl-5'amp,DB08116
7634,7634,7634,Not Available,CC(=O)OC1=CC=C(\C=C\C(=O)NCCC2=CC=CC=C2)C=C1OC(C)=O,,Aspartic Acid-4-Carboxymethyl Ester,DB08301
7635,7635,7635,Not Available,OC1=CC(CC2=CC=CC=N2)=CC=C1OC1=CC=C(Cl)C=C1Cl,,Estradiol dienanthate,DB04156
7636,7636,7636,"Chloroprocaine is a local anesthetic agent indicated for intrathecal injection in adults for the production of subarachnoid block, spinal anesthesia, or ocular surface anesthesia.",CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1,,Hemi-Babim,DB00202
7637,7637,7637,Not Available,CC1(C)CCC(C)(C)C2=C1C=CC(=C2)[C@@H](O)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O,,Omega-3-carboxylic acids,DB11221
7638,7638,7638,Not Available,[H][C@]1(CNCCC[C@@]1([H])OC(=O)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1O)NC(=O)C1=CC=C(O)C=C1,,Lumiliximab,DB03622
7639,7639,7639,"Valpromide is a valproic acid derivative used to treat epilepsy and as adjunct therapy for psychomotor agitation, depression, and manic episodes of bipolar disorder.",CCCC(CCC)C(N)=O,,RAF-265,DB03299
7640,7640,7640,Not Available,CCCN1C(=NC(=C1C1=CC=NC(NC2CCCCC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCNCC1,,S-Benzylcysteine,DB07874
7641,7641,7641,Not Available,O=C(NCC1=CC=CN=C1)C1=CC(=NC=N1)C(=O)NCC1=CN=CC=C1,,"1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE",DB12285
7642,7642,7642,Not Available,CC(=O)CNC(=O)OCC1=CC=CC=C1,,2-[2-(4-Chloro-Phenylsulfanyl)-Acetylamino]-3-(4-Guanidino-Phenyl)-Propionamide,DB02622
7643,7643,7643,Benzoyl peroxide is an antibacterial and anti-inflammatory agent used for the symptomatic treatment of mild to moderate acne vulgaris and rosacea.,O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,,Potassium,DB01983
7644,7644,7644,Not Available,[NH3+]CC1CCCCC1,,VX-702,DB02596
7645,7645,7645,"BOS172722 is a novel and selective Monopolar spindle 1 (Mps1) kinase inhibitor identified as a potential anticancer agent.2 Normally, Mps1 supports the proper division of cancer cells, ensuring survival and replication. The key role of Mps1 in the growth of cancer cells renders it an appealing target for cancer treatment, as its inhibition could lead to favorable effects.1 An in vivo study combined BOS172722 with Paclitaxel for the treatment of triple hormone receptor negative breast cancer, and demonstrated promising synergistic effects.2",CCOC1=CC(=CC=C1NC1=NC=C2C=C(C)N=C(NCC(C)(C)C)C2=N1)C1=NN=CN1C,,Sirolimus,DB16353
7646,7646,7646,Pegvisomant is a growth hormone receptor antagonist used to treat acromegaly.,,FPTIPLSRLFDNAMLRAHRLHQLAFDTYQEFEEAYIPKEQKYSFLQNPQTSLCFSESIPTPSNREETQQKSNLELLRISLLLIQSWLEPVQFLRSVFANSLVYGASDSNVYDLLKDLEEGIQTLMGRLEDGSPRTGQIFKQTYSKFDTNSHNDDALLKNYGLLYCFRKDMDKVETFLRIVQCRSVEGSCGF,CT-011,DB07937
7647,7647,7647,Methadone is an opioid analgesic indicated for management of severe pain that is not responsive to alternative treatments. Also used to aid in detoxification and maintenance treatment of opioid addiction.,CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1,,(S)-oxalosuccinic acid,DB04739
7648,7648,7648,"Mestranol is a synthetic estradiol found in oral contraceptive pills for contraception and the treatment of other conditions in the female reproductive system, such as dysmenorrhea and dysfunctional uterine bleeding.",[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3,,Linaclotide,DB13154
7649,7649,7649,"TAK-475 is a ""squalene synthase inhibitor"", a type of cholesterol-lowering drug that has not yet been brought to market.",,,Iron,DB03948
7650,7650,7650,Not Available,[H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O,,(2r)-2-{[Formyl(Hydroxy)Amino]Methyl}Hexanoic Acid,DB00363
7651,7651,7651,Emedastine is a selective H1-receptor antagonist used topically to manage symptoms of allergic conjunctivitis.,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1,,Vaborbactam,DB03304
7652,7652,7652,Valproic acid is an anticonvulsant used to control complex partial seizures and both simple and complex absence seizures.,CCCC(CCC)C(O)=O,,N-sulfo-flavin mononucleotide,DB06470
7653,7653,7653,"Setmelanotide is a drug indicated to treat obesity caused by genetic POMC, PCSK1, or LEPR deficiencies or Bardet-Biedl syndrome.",[H]N([H])C(=O)[C@@H]1CSSC[C@H](N([H])C(=O)[C@H](CCCN=C(N([H])[H])N([H])[H])N([H])C(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CN=CN2[H])C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN([H])C3=CC=CC=C23)C(=O)N1,,Interferon alfa-n1,DB04764
7654,7654,7654,Not Available,O=CNCC1=CC=CC=C1,,"4,5-Dihydroxy-Tetrahydro-Pyran-2-Carboxylic Acid",DB09371
7655,7655,7655,Not Available,CCCCCCCCCCCCCCCCCCCCCCC(O)=O,,Diazoxide,DB03297
7656,7656,7656,Not Available,C[C@H](NC(=O)[C@H](CCCNC(N)N)NC(=O)OCC1=CC=CC=C1)C(=O)CF,,Metipranolol,DB08481
7657,7657,7657,The D-enantiomer of alanine.,C[C@@H](N)C(O)=O,,CHS-828,DB03598
7658,7658,7658,Not Available,OC(=O)C(\O)=C(\F)/C=C/C(=O)C1=CC=C(F)C=C1,,S-propylamine-L-cysteine,DB08032
7659,7659,7659,Not Available,[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1,,L-homoarginine,DB03949
7660,7660,7660,Not Available,[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C(Br)=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,B-2-Octylglucoside,DB03347
7661,7661,7661,Not Available,[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2,,LJP 1082,DB07286
7662,7662,7662,"Periciazine is a phenothiazine used with other medications to treat aggressiveness, impulsiveness, and hostility associated with psychiatric conditions such as schizophrenia.",OC1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C#N)CC1,,Kanamycin,DB00708
7663,7663,7663,Not Available,CCOCCOCCOCCOCCOCC,,Azatadine,DB01684
7664,7664,7664,Fenoldopam is a dopamine D1 receptor agonist used for the short term management of hypertension.,OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(O)=C(O)C=C12,,"2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE",DB08680
7665,7665,7665,Stavudine is a dideoxynucleoside used in the treatment of HIV infection.,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O,,"(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE",DB00435
7666,7666,7666,Not Available,[O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O,,Fluoro-Willardiine,DB04301
7667,7667,7667,Cilastatin is a renal dehydropeptidase inhibitor used to prevent degradation of imipenem. Both medications are used together to treat a variety of infections.,CC1(C)C[C@@H]1C(=O)N\C(=C/CCCCSC[C@H](N)C(O)=O)C(O)=O,,Oxycodone,DB13919
7668,7668,7668,Not Available,COC1=CC=C(C=C1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl,,Mivacurium,DB07249
7669,7669,7669,,OC1=CC(O)=CC=C1,,2'-Deoxyguanosine-5'-Triphosphate,DB13881
7670,7670,7670,Not Available,[H][C@]1(C)CCCC[C@]1([H])OC1=CC=CC(C2=NC3=C(N2)C=C(F)C(=C3)C(N)=N)=C1O,,D-Glutamic Acid,DB02359
7671,7671,7671,"N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide is a solid. This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. This substance is known to target a disintegrin and metalloproteinase with thrombospondin motifs 5.",ONC(=O)C1(CCOCC1)S(=O)(=O)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1,,Fingolimod,DB06879
7672,7672,7672,"ABT-510 is a peptide mimetic of thrombospondin-1 (TSP-1), blocks angiogenesis in vitro and in vivo, and slows tumor growth. It is developed by Abbott Laboratories for the treatment of Solid Tumors, Lymphoma and Melanoma.",CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC,,Methoxy polyethylene glycol-epoetin beta,DB04736
7673,7673,7673,A orally active prolyl-hydroxylase inhibitor which can stabilize hypoxia-inducible transcription factor independent of oxygen availability. 1,OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1,,"Cis-[4,5-Bis-(4-Chlorophenyl)-2-(2-Isopropoxy-4-Methoxyphenyl)-4,5-Dihyd Roimidazol-1-Yl]-Piperazin-1-Yl-Methanone",DB11605
7674,7674,7674,"Zanubrutinib is a kinase inhibitor used to treat mantle cell lymphoma, a type of B-cell non-Hodgkin lymphoma, in adults who previously received therapy.",NC(=O)C1=C2NCC[C@@H](C3CCN(CC3)C(=O)C=C)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1,,Nitrofurantoin,DB01260
7675,7675,7675,Not Available,[H][C@]1(C(O)=O)[C@]([H])(C(=O)NC)[C@]1([H])C1=CC=C(OP(O)(O)=O)C=C1,,PASBN,DB06837
7676,7676,7676,Not Available,NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1,,N-(3-AMINOPROPYL)-2-NITROBENZENAMINE,DB07208
7677,7677,7677,Not Available,COC1=CC=C(NC2=C(C(=O)N(CC3=CC=CC=C3)C2=O)C2=CC=CC=C2)C=C1,,N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE,DB09026
7678,7678,7678,"Adalimumab is a monoclonal anti-tumor necrosis factor alpha antibody used in the treatment of a wide variety of inflammatory conditions such as rheumatoid arthritis, Crohn's disease, and ankylosing spondylitis.",,DIQMTQSPSSLSASVGDRVTITCRASQGIRNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQRYNRAPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC,N-phenyl-1H-pyrazole-3-carboxamide,DB06285
7679,7679,7679,"Withdrawn from the Canadian, US, and UK markets in 1963 due to interactions with food products containing tyrosine.",O=C(CCNNC(=O)C1=CC=NC=C1)NCC1=CC=CC=C1,,Protein C,DB02635
7680,7680,7680,Not Available,[H][C@](CN)(CCC(O)=O)[C@]([H])(CCN)CC(O)=O,,Cu-Cyclam,DB03468
7681,7681,7681,CRx-139 is an oral synergistic combination drug candidates with novel mechanisms of action targeting multiple biological pathways simultaneously. It is a dissociated steroid designed to enhance the immuno-modulatory activity of a low-dose glucocorticoid steroid without a comparable increase in steroid-related side effects. The synergistic combination containing low doses of the glucocorticoid steroid prednisolone and the antidepressant paroxetine. This novel synergistic combination is developed for the treatment of immuno-inflammatory diseases.,,,Oleic Acid,DB07628
7682,7682,7682,Not Available,[H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(NC(C)=O)[C@@]([H])(O)[C@]1([H])O,,L-Gluconic Acid,DB00953
7683,7683,7683,Not Available,[H]N1C=C(C2=CC=CC=C12)C1=C(C(=O)N([H])C1=O)C1=CN(CC[C@@H]2CCCN2C)C2=CC=CC=C12,,Daunorubicin,DB07659
7684,7684,7684,"Niraparib is a poly-ADP ribose polymerase inhibitor used to treat recurrent epithelial ovarian, fallopian tube, or primary peritoneal cancer responding to platinum based chemotherapy.",NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1,,Ornithine,DB04839
7685,7685,7685,Not Available,[H]N=C(CC1=CNC2=CC=CC=C12)C(O)=O,,beta-2-Thienyl-L-alanine,DB02326
7686,7686,7686,Not Available,O[C@@H]([C@H](O)C(O)=O)C(O)=O,,"(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE",DB06176
7687,7687,7687,Not Available,NCC1CCN(CC2=CC3=C(NC(=C3)C3=NNC4=C3C=CC(=C4)C#N)C=C2)CC1,,Opium,DB15626
7688,7688,7688,Not Available,[H][C@](O)(C(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(C)(C)CO,,"4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine",DB07615
7689,7689,7689,Not Available,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,,"2',6'-Dichloro-Biphenyl-2,6-Diol",DB08742
7690,7690,7690,Vitamin D is an ingredient found in a variety of supplements and vitamins.,,,Pipecuronium,DB04769
7691,7691,7691,Not Available,[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(S)[C@]([H])(O)[C@@]1([H])O,,Butriptyline,DB07179
7692,7692,7692,Not Available,[H][C@](NC(=O)OCC1=CC=CC=C1)(C(C)C)[P@@](O)(=O)O[C@]([H])(C(O)=O)C1=CC(CN)=CC=C1,,Cyclo-Tetrametavanadate,DB07595
7693,7693,7693,Taurine is an ingredient found in mixture products indicated for nutritional support.,NCCS(O)(=O)=O,,"(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID",DB00163
7694,7694,7694,Not Available,CCCOC1=CC=C2[C@@H]([C@H]([C@@H](C2=C1)C1=CC=C(OC)C=C1OCCO)C(O)=O)C1=CC=C2OCOC2=C1,,"2-[5-Methanesulfonylamino-2-(4-Aminophenyl)-6-Oxo-1,6-Dihydro-1-Pyrimidinyl]-N-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)Acetamide",DB03417
7695,7695,7695,Edoxaban is a novel oral anticoagulant used for reducing the risk of stroke and systemic embolism (SE) in patients with nonvalvular atrial fibrillation (NVAF).,CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1,,Relugolix,DB04773
7696,7696,7696,"Atrasentan is a substance that is being studied in the treatment of cancer. It belongs to the family of drugs called endothelin-1 protein receptor antagonists. It is a novel, selective endothelin A receptor antagonist (SERA).",CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1,,Imatinib,DB15941
7697,7697,7697,Not Available,CN(CCCCCCOC1=CC=C2C(OC=C2C2=CC=C(Br)C=C2)=C1)CC=C,,Gemifloxacin,DB01140
7698,7698,7698,Not Available,CC1=CC=C(N)C=C1C,,MSX-122,DB07000
7699,7699,7699,"Ginsenosides are a class of steroid glycosides, and triterpene saponins, found exclusively in the plant genus Panax (ginseng). Ginsenosides have been the target of research, as they are viewed as the active compounds behind the claims of ginseng's efficacy. Because ginsenosides appear to affect multiple pathways, their effects are complex and difficult to isolate. Rg1 Appears to be most abundant in Panax ginseng (Chinese/Korean Ginseng). It improves spatial learning and increase hippocampal synaptophysin level in mice, plus demonstrates estrogen-like activity.",CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,,"Uridine-2',3'-vanadate",DB02144
7700,7700,7700,Not Available,CC1=NC2=C(C=CC=C2O)C(=O)N1,,LY2275796,DB03585
7701,7701,7701,Not Available,CC(C)NC1=CC(Cl)=NC2=C(C=NN12)C#N,,[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE,DB07350
7702,7702,7702,Not Available,C[C@@](CO)(OP(O)(O)=O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,,Peginterferon beta-1a,DB05224
7703,7703,7703,"Succinylcholine is a depolarizing skeletal muscle relaxant used adjunctly to anesthesia and for skeletal muscle relaxation during intubation, mechanical ventilation, and surgical procedures.",C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,,Tris(Hydroxyethyl)Aminomethane,DB05187
7704,7704,7704,Not Available,[H]N([H])C(=O)[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([H])C(=O)OC,,N-(pyridin-3-ylmethyl)aniline,DB01905
7705,7705,7705,Not Available,N[C@@H](CS[SeH])C(O)=O,,6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE,DB04723
7706,7706,7706,Liposome-encapsulated form of prostaglandin E1 (Liprostin) is known to be a potent vasodilator and platelet inhibitor as well as an anti-inflammatory and anti-thrombotic agent. The liposomal formulation of PGE-1 changes the drug’s dynamics and improve its therapeutic index in ways that PGE-1 alone could not achieve.,,,BMS-488043,DB03836
7707,7707,7707,Not Available,OC1=C(O)C2=CC=CC=C2C=C1,,"(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-OL",DB04393
7708,7708,7708,"Muraglitazar (Bristol-Myers Squibb/Merck) is a new agent under investigation for the treatment of patients with type 2 diabetes. It belongs to a novel class of drugs that target the peroxisome proliferator-activated receptors, both alpha and gamma subtypes. In addition to improvements in blood glucose and hemoglobin A1c (HbA1c), muraglitazar treatment is associated with a substantial reduction in triglycerides (TGs), an increase in HDL-C, and a modest decrease in LDL-C levels.",COC1=CC=C(OC(=O)N(CC(O)=O)CC2=CC=C(OCCC3=C(C)OC(=N3)C3=CC=CC=C3)C=C2)C=C1,,Uridine-5'-diphosphate-mannose,DB14999
7709,7709,7709,Not Available,[H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC,,Proguanil,DB01354
7710,7710,7710,Not Available,OC(=O)\C=C\C1=CC=CC=C1O,,"4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID",DB00007
7711,7711,7711,Aurothioglucose is a gold compound used in the treatment of rheumatoid arthritis.,OC[C@H]1O[C@H](S[Au])[C@H](O)[C@@H](O)[C@@H]1O,,Decyloxy-Methanol,DB02839
7712,7712,7712,Not Available,ClC1=CC=C(\C=C\S(=O)(=O)N2CCN(CC3CCN(CC3)C3=CC=NC=C3)C(=O)C2)C=C1,,Glucose-6-Phosphate,DB02614
7713,7713,7713,Not Available,O[C@H](\C=C(/O)[O-])C([O-])=O,,Bromodiphenhydramine,DB04347
7714,7714,7714,Not Available,[H][C@]1(COP(C)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O,,CHGN111,DB00016
7715,7715,7715,Anileridine is an opioid analgesic used to treat moderate to severe pain.,CCOC(=O)C1(CCN(CCC2=CC=C(N)C=C2)CC1)C1=CC=CC=C1,,(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide,DB00317
7716,7716,7716,Not Available,CC[C@@H](C)C(O)=O,,Rolofylline,DB13996
7717,7717,7717,Not Available,CC(C)(C)C1=NN(C(NC(=O)NC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1,,5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid,DB07688
7718,7718,7718,Not Available,CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(=C1)C(=O)NC1=C(C#N)C2=C(CCC2)S1,,"4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine",DB00306
7719,7719,7719,"Oxazepam is an intermediate-acting benzodiazepine with slow onset commonly used to treat panic disorders, severe anxiety, alcohol withdrawals, and insomnia.",OC1N=C(C2=CC=CC=C2)C2=C(NC1=O)C=CC(Cl)=C2,,Aripiprazole lauroxil,DB02449
7720,7720,7720,Not Available,[H][C@@](CC1=CC=CC(=C1)C(O)=O)(NC(C)=O)B(O)O,,Erythropoietin,DB05111
7721,7721,7721,Not Available,[H][C@@]1(C)C[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(O)O1,,"1,3-Dinitrobenzene",DB02983
7722,7722,7722,Not Available,N[C@@H](C[S@@](O)=O)C(O)=O,,Cilazaprilat,DB03016
7723,7723,7723,Not Available,O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O,,"[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone",DB13158
7724,7724,7724,Norvaline is a drug used to treat vaginal inflammation with betamethasone and tyrothricin.,CCC[C@H](N)C(O)=O,,Crofelemer,DB04537
7725,7725,7725,Not Available,C[C@H](N(C)C)C1=CC(O)=CC=C1,,"3,6-dihydroxy-xanthene-9-propionic acid",DB12340
7726,7726,7726,Not Available,COC(=O)C1CCN(CC1)C(=O)C1=CC=C(C=C1)N(C)CC1=NC2=C(N)N=C(N)N=C2N=C1,,(2S)-1-AMINO-3-[(5-NITROQUINOLIN-8-YL)AMINO]PROPAN-2-OL,DB02860
7727,7727,7727,Methazolamide is a carbonic anhydrase inhibitor used to treat open angle glaucoma and acute angle closure glaucoma.,CN1N=C(S\C1=N\C(C)=O)S(N)(=O)=O,,Nitrosoethane,DB03245
7728,7728,7728,Amonafide is a substance that is being studied in the treatment of cancer. It belongs to the families of drugs called topoisomerase inhibitors and intercalating agents.,CN(C)CCN1C(=O)C2=CC=CC3=CC(N)=CC(C1=O)=C23,,Acrivastine,DB12465
7729,7729,7729,Not Available,CCCCCCP(O)(=O)OC[C@H](C)CC1=CC=CC=C1,,Guanidine-3-propanol,DB04154
7730,7730,7730,Not Available,[H][C@](CO)(NC(=O)C(Cl)Cl)[C@]([H])(O)C1=CC=C(N)C=C1,,Casimiroin,DB03504
7731,7731,7731,"Anatibant is a selective, very potent, small-molecule Bradykinin B2 receptor antagonist. It is developed for the for the treatment of traumatic brain injury (TBI).",CC1=CC(C)=C2C=CC=C(OCC3=C(Cl)C=CC(=C3Cl)S(=O)(=O)N3CCC[C@H]3C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(N)=N)C2=N1,,Sulfoxone,DB07004
7732,7732,7732,Not Available,[H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,,(+)-2-(4-biphenyl)propionic acid,DB04476
7733,7733,7733,"Loxicodegol was developed by Nektar Therapeutics as an opioid analgesic with low abuse potential for the treatment of chronic pain 4. The lack of abuse potential is believed to be due to the drug's slow rate of entry into brain, a unique characteristic compared to others in the opioid class 1,2. This is also thought to be the reason behind the reduced frequency of CNS-mediated adverse effects, like sedation, seen with Loxicodegol. Nektar Therapeutics has filed an application for FDA approval of Loxicodegol for use in the treatment of chronic lower back pain 4",[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])OCCOCCOCCOCCOCCOCCOC,,Ferric cation,DB04150
7734,7734,7734,Not Available,CCNC(=O)N1CCC(CC1)NC1=NC(C2=CNC3=CC=CC=C23)=C(Cl)C=N1,,Brequinar Analog,DB08365
7735,7735,7735,Not Available,[H]N1C(=O)N([H])[C@]2([H])[C@H](CCCCC=O)SC[C@]12[H],,Phenmetrazine,DB11691
7736,7736,7736,"Sifalimumab is a fully human monoclonal antibody targeting interferon-alpha. The levels of interferon-alpha are elevated in many patients with active systemic lupus erythematosus (SLE, or lupus) and other autoimmune disorders, and may be associated with disease activity. Sifalimumab may suppress the abnormal immune activity associated with lupus by binding to multiple interferon-alpha subtypes seen in the serum of lupus patients.",,,"2,5-Xylidine",DB03053
7737,7737,7737,Not Available,CC(C)CCN1N2C=CC=C2C(O)=C(C1=O)C1=NC2=C(C=C(NS(C)(=O)=O)C=C2)S(=O)(=O)N1,,Paclitaxel,DB09050
7738,7738,7738,Not Available,[H][C@]1(CCCN1S(=O)(=O)C1=C(N)C=C(Cl)C(C)=C1)C(O)=O,,Roxatidine acetate,DB01283
7739,7739,7739,Not Available,CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,,Crotonaldehyde,DB08501
7740,7740,7740,Urofollitropin is a form of purified human follicle stimulating hormone used to treat infertility in females by inducing follicle development in women without primary ovarian failure.,,APDVQDCPECTLQENPFFSQPGAPILQCMGCCFSRAYPTPLRSKKTMLVQKNVTSESTCCVAKSYNRVTVMGGFKVENHTACHCSTCYYHKS,Alglucosidase alfa,DB09064
7741,7741,7741,Not Available,NCC1=CC=C(S1)C1=CC=CS1,,Mirikizumab,DB11085
7742,7742,7742,Felodipine is a calcium channel blocker used to treat hypertension.,CCOC(=O)C1=C(C)NC(C)=C(C1C1=C(Cl)C(Cl)=CC=C1)C(=O)OC,,Homatropine methylbromide,DB01267
7743,7743,7743,Not Available,FC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O,,"7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem",DB00819
7744,7744,7744,Not Available,OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1,,Mant-Adp,DB07338
7745,7745,7745,Not Available,NS(=O)(=O)C1=C2C=CC=C(O)C2=CC=C1,,"2-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl]-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid",DB01194
7746,7746,7746,"Flibanserin is a 5-HT receptor modulator used for the treatment of selected premenopausal women with acquired, generalized hypoactive sexual desire disorder (HSDD).",FC(F)(F)C1=CC(=CC=C1)N1CCN(CCN2C(=O)NC3=CC=CC=C23)CC1,,Flaviolin,DB01353
7747,7747,7747,Not Available,[H][C@](N)(CC(C)C)CN1CCC[N@@]2CCC[C@@]12[H],,Fontolizumab,DB04153
7748,7748,7748,Not Available,[H][C@](NC(=O)NC1CCCC1)(C(C)C)C(=O)N1CC[C@]([H])(NC(=O)C2CC2)[C@@]1([H])C1(CCC1)C=O,,KC706,DB03022
7749,7749,7749,Scopolamine is a belladonna alkaloid with anticholinergic effects indicated for the treatment of nausea and vomiting associated with motion sickness and postoperative nausea and vomiting (PONV).,CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1,,Nidufexor,DB02377
7750,7750,7750,"AS-8112 is a synthetic compound that acts as a selective antagonist at the dopamine receptor subtypes D2 and D3, and the serotonin receptor 5-HT3. It has been shown to exert potent antiemetic effects in animal studies and has been investigated for potential medical use.",[H]N(C)C1=C(Br)C=C(C(=O)N([H])[C@@H]2CN(C)CCN(CC)C2)C(OC)=C1,,SB-559448,DB00260
7751,7751,7751,Not Available,OCCC(Br)=C,,Cholesterol sulfate,DB03590
7752,7752,7752,Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem],NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,Geranylgeranyl diphosphate,DB07026
7753,7753,7753,Not Available,CP(O)=O,,"N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA",DB02278
7754,7754,7754,"Camazepam is a benzodiazepine which is a dimethyl carbamate ester of tamzepam, a metabolite of diazepam. Similarly to other drugs in its class, it has antxiolytic, anticonvulsant, hypnotic, and skeletal muscle relaxant properties. However, unlike other benzodiapeines camazepam is predominantly anxiolytic and is relatively weak as an anticonvulsant, hypnotic and skeletal muscle relaxant.",CN(C)C(=O)OC1N=C(C2=CC=CC=C2)C2=C(C=CC(Cl)=C2)N(C)C1=O,,Phenyltoloxamine,DB02154
7755,7755,7755,Not Available,COC1=CC(NC2=NC(NC3=C(Cl)C=CC4=C3OCO4)=CC=N2)=CC(OC)=C1OC,,"2-[4-(4-Chlorophenyl)Cyclohexylidene]-3,4-Dihydroxy-1(2h)-Naphthalenone",DB01048
7756,7756,7756,Not Available,CC#CCOC1=CC=C(C=C1)S(=O)(=O)CCCS,,Adenosine-5'-(Dithio)Phosphate,DB01011
7757,7757,7757,Not Available,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,,Ajmaline,DB07171
7758,7758,7758,Not Available,[H]N([H])C1=NC(=O)C2=C(C=CC(C[C@@H](C(O)=O)C3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)=C2)N1[H],,Tiapride,DB00782
7759,7759,7759,Not Available,CCOC(=O)C1=C(C)NC(=S)N[C@H]1C1=CC=CC(O)=C1,,"2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID",DB04268
7760,7760,7760,Not Available,OC1=C(C=C(CC(=O)NCCCCCC([O-])=O)C=C1I)[N+]([O-])=O,,SNS-314,DB00913
7761,7761,7761,Methylnaltrexone is a μ-opioid antagonist used for the treatment of opioid-induced constipation in palliative patients that are inadequately responding to laxative therapy.,C[N@+]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@]2(O)CCC4=O)=C35,,"3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one",DB06851
7762,7762,7762,Rilapladib is the third genomics-derived small molecule drug arising from the Human Genome Sciences-GlaxoSmithKline collaboration to enter clinical development. It is a lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2 is an enzyme associated with the formation of atherosclerotic plaques.,COCCN1CCC(CC1)N(CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C(=O)CN1C(SCC2=C(F)C(F)=CC=C2)=CC(=O)C2=C1C=CC=C2,,Flavin adenine dinucleotide,DB01173
7763,7763,7763,Not Available,CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,4-(Aminosulfonyl)-N-[(4-Fluorophenyl)Methyl]-Benzamide,DB07005
7764,7764,7764,Not Available,OC(=O)C1=CC=CC2=C1NC(=C2C1=CC=CC=C1)C1=CC=CC=C1,,Pindolol,DB08598
7765,7765,7765,Not Available,OC(=O)C[NH2+]CP(O)(O)=O,,Benzbromarone,DB16411
7766,7766,7766,Not Available,C[C@H](O)[C@@H](CCC1=C2C=CC=CC2=CC=C1)N1C=NC(=C1)C(N)=O,,Minoxidil,DB00467
7767,7767,7767,"An unnatural amino acid that is used experimentally to study protein structure and function. It is structurally similar to METHIONINE, however it does not contain SULFUR.",CCCC[C@@H](N)C(O)=O,,"5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE",DB02868
7768,7768,7768,Not Available,[H][C@@](C)(NC(=O)[C@@]([H])(NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)[C@@]([H])(C)CC)C(O)=O,,Fica,DB03388
7769,7769,7769,Not Available,NCC1=CC=C(C=C1)C1=CC=CS1,,Moxifloxacin,DB04179
7770,7770,7770,Ketotifen is a histamine H1 receptor blocker and mast cell stabilizer used to treat mild atopic asthma and allergic conjunctivitis.,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12,,Phenolphthalein,DB04771
7771,7771,7771,Not Available,OC(=O)C1=CC=CC(\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2)=C1,,"(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE",DB00448
7772,7772,7772,Octocrylene is a sunscreen agent found in sunscreens that absorbs UV rays.,CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1,,Pergolide,DB05069
7773,7773,7773,"A second-generation synthetic antisense oligonucleotide with potential antineoplastic activity. AEG35156 selectively blocks the cellular expression of X-linked inhibitor of apoptosis protein (XIAP), a pivotal inhibitor of apoptosis that is overexpressed in many tumors. This agent reduces total levels of XIAP in tumor cells, working synergistically with cytotoxic drugs to overcome tumor cell resistance to apoptosis. XIAP interferes with both the intrinsic and extrinsic program-death signaling pathways, which may render tumor cells resistant to apoptosis.",,,1-(HYDROXYMETHYLENEAMINO)-8-HYDROXY-OCTANE,DB00245
7774,7774,7774,Not Available,[H]N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=C(N=O)C(=O)N([H])C(=O)N1[H],,D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide,DB04919
7775,7775,7775,Talarozole has been investigated for the treatment of Psoriasis and Cutaneous Inflammation.,CCC(CC)C(N1C=NC=N1)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=C1,,Ibudilast,DB06896
7776,7776,7776,Not Available,CCC1=C(O)C=C(O)C(=C1)C1=NNC(C(O)=O)=C1C1=CC=C2OCOC2=C1,,"5-Phenylsulfanyl-2,4-Quinazolinediamine",DB05888
7777,7777,7777,Mebendazole is a benzimidazole anthelmintic used to treat helminth infections.,COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=CC=C1,,Tuberculin purified protein derivative,DB01203
7778,7778,7778,Not Available,CC[C@@H]1N(C(=O)OC(C)C)C2=C(NC1=O)C=CC(F)=C2,,"(3R)-8-(dioxidosulfanyl)-3-methyl-1,2,3,4-tetrahydroquinoline",DB04275
7779,7779,7779,Lisdexamfetamine is a central nervous system (CNS) stimulant used to treat attention deficit hyperactivity disorder (ADHD) and moderate to severe eating disorders.,C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN,,Sorbinil,DB09568
7780,7780,7780,"Onapristone has been used in trials studying the treatment of Prostate Cancer, Recurrent Prostate Cancer, Metastatic Prostate Cancer, Androgen-independent Prostate Cancer, and Progesterone Receptor Positive Tumor: Max 1 Line of Prior Chemotherapy, no Prior Hormone Therapy.",CN(C)C1=CC=C(C=C1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12,,Canaline,DB01284
7781,7781,7781,Not Available,CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O,,N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-(alpha-D-galactopyranosyloxy)-5-nitrobenzamide,DB03587
7782,7782,7782,Brentuximab vedotin is a CD30-directed antibody-drug conjugate used to treat various types of lymphoma.,,,"2,2'-{[9-(HYDROXYIMINO)-9H-FLUORENE-2,7-DIYL]BIS(OXY)}DIACETIC ACID",DB06077
7783,7783,7783,Indinavir is a protease inhibitor used to treat HIV infection.,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12,,RU82209,DB12847
7784,7784,7784,Not Available,[H][C@]1(CCCN1C(=O)CCC1CCCC1)C(=O)NCC1=CC=C(C=C1)C(N)=N,,4-(Acetylamino)-3-Guanidinobenzoic Acid,DB00706
7785,7785,7785,"Cefazolin is a broad-spectrum cephalosporin antibiotic mainly used for the treatment of skin bacterial infections and other moderate to severe bacterial infections in the lung, bone, joint, stomach, blood, heart valve, and urinary tract.",[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O,,Cipaglucosidase alfa,DB08710
7786,7786,7786,TBC3711 is a next-generation endothelin antagonist that is being studied through oral and intravenous formulations by Encysive Pharmaceuticals.,CC(=O)C1=C(NC(=O)C2=C(C=CS2)S(=O)(=O)NC2=C(C)C(C)=NO2)C(C)=CC(C)=C1,,Omega-3 fatty acids,DB06614
7787,7787,7787,"Brompheniramine is a histamine H1 antagonist used to treat coughs, upper respiratory symptoms, and nasal congestion associated with allergies and the common cold.",CN(C)CCC(C1=CC=C(Br)C=C1)C1=CC=CC=N1,,Grapiprant,DB03454
7788,7788,7788,Dextrothyroxine is a thyroid hormone used to treat hyperlipidemia.,N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O,,Lysergic acid diethylamide,DB03221
7789,7789,7789,"A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of adenylate cyclase.",NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,,(1n)-4-N-Butoxyphenylsulfonyl-(2r)-N-Hydroxycarboxamido-(4s)-Methanesulfonylamino-Pyrrolidine,DB02015
7790,7790,7790,Not Available,N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1,,"methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate",DB00055
7791,7791,7791,Omaveloxolone is a semisynthetic triterpenoid used to treat Friedreich’s ataxia in adults and adolescents 16 years and older.,CC(F)(F)C(=O)N[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,,4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID,DB13127
7792,7792,7792,Gabapentin enacarbil is a gabapentin prodrug used to treat Restless Legs Syndrome (RLS) and postherpetic neuralgia (PHN).,CC(C)C(=O)OC(C)OC(=O)NCC1(CC(O)=O)CCCCC1,,9-Methylguanine,DB05469
7793,7793,7793,Not Available,COC1=CC2=NC=NC(NC3=CC(O)=CC=C3)=C2C=C1OC,,CarbamoylcholineCommonly known or available as Carbachol,DB15327
7794,7794,7794,Not Available,CCOC(=O)C1N=C(C2=CC=CC=C2F)C2=C(NC1=O)C=CC(Cl)=C2,,Isochorismic Acid,DB06859
7795,7795,7795,"Rocaglamide, also referred to as rocaglamide-A, is the eponymous member of a class of anti-cancer phytochemicals known as rocaglamides.1 Rocaglamides are secondary metabolites of the plant genus Aglaia, and extracts of the plant have traditionally been used as a form of insect repellant due to its natural insecticidal properties.9 Reports of Aglaia anti-tumor activity date back as far as 1973, and rocaglamide-A was first isolated in 1982 from the species A. elliptifolia.1 Rocaglamide and a number of its derivatives (e.g. didesmethylrocaglamide) are currently being studied for use as chemotherapeutic agents in the treatment of various leukemias, lymphomas, and carcinomas, as well as adjuvant therapy in the treatment of certain chemotherapy-resistant cancers.7,8,10,3",COC1=CC=C(C=C1)[C@@]12OC3=C(C(OC)=CC(OC)=C3)[C@]1(O)[C@H](O)[C@@H]([C@H]2C1=CC=CC=C1)C(=O)N(C)C,,Recombinant alpha 1-antitrypsin,DB09185
7796,7796,7796,"Zoledronic acid is a bisphosphonate used to treat malignancy associated hypercalcemia, multiple myeloma, and bone metastasis from solid tumors.",OC(CN1C=CN=C1)(P(O)(O)=O)P(O)(O)=O,,Naronapride,DB04601
7797,7797,7797,The pipecolinate derivative biricodar (VX-710) is a clinically applicable modulator of P-glycoprotein (Pgp) and multidrug resistance protein (MRP-1).,COC1=CC(=CC(OC)=C1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCC1=CN=CC=C1)CCCC1=CN=CC=C1,,5-Hydroxy-N-Propargyl-1(R)-Aminoindan,DB04596
7798,7798,7798,Eribulin is a microtubule inhibitor used to treat metastatic breast cancer and metastatic or unresectable liposarcoma.,[H][C@@]12CC(=C)[C@]([H])(CC[C@@]3([H])C[C@@H](C)C(=C)[C@@]([H])(C[C@]4([H])O[C@H](C[C@H](O)CN)[C@H](OC)[C@@]4([H])CC(=O)C[C@@]4([H])CC[C@]5([H])O[C@@]6([H])[C@H]7O[C@@]8(C[C@]7([H])O[C@@]6([H])[C@@]([H])(O8)[C@@]5([H])O4)CC1)O3)O2,,"5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID",DB03636
7799,7799,7799,Not Available,OCCN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1,,"2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL",DB03627
7800,7800,7800,Atovaquone is an antimicrobial indicated for the prevention and treatment of Pneumocystis jirovecii pneumonia (PCP) and for the prevention and treatment of Plasmodium falciparum malaria.,OC1=C([C@H]2CC[C@@H](CC2)C2=CC=C(Cl)C=C2)C(=O)C2=CC=CC=C2C1=O,,SR 140333,DB04254