molecule_chembl_id

pref_name

canonical_smiles

molecule_type

max_phase

parenteral

first_approval

indication_class

NEW_SMILES

CHEMBL2

PRAZOSIN

COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC

Small molecule

Antihypertensive

COc1cc2[nH]c(N3CCN(C(=O)c4ccco4)CC3)nc(=N)c2cc1OC

CHEMBL3

NICOTINE

CN1CCC[C@H]1c1cccnc1

Small molecule

Smoking Cessation Adjunct

CN1CCCC1c1cccnc1

CHEMBL4

OFLOXACIN

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

Small molecule

Antibacterial

CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

CHEMBL5

NALIDIXIC ACID

CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21

Small molecule

Antibacterial

CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21

CHEMBL6

INDOMETHACIN

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

Small molecule

Anti-Inflammatory

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

CHEMBL403

SULBACTAM

CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O

Small molecule

Inhibitor (beta-lactamase); Synergist (penicillin/cephalosporin),Synergist (penicillin/cephalosporin); Inhibitor (beta-lactamase)

CC1(C)C(C(=O)O)N2C(=O)CC2S1(=O)=O

CHEMBL404

TAZOBACTAM

C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O

Small molecule

Inhibitor (beta-lactamase)

CC1(Cn2ccnn2)C(C(=O)O)N2C(=O)CC2S1(=O)=O

CHEMBL8

CIPROFLOXACIN

O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

Small molecule

Antibacterial

O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

CHEMBL9

NORFLOXACIN

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21

Small molecule

Antibacterial

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21

CHEMBL405

AMPHETAMINE

CC(N)Cc1ccccc1

Small molecule

Stimulant (central)

CC(N)Cc1ccccc1

CHEMBL6622

ISOSORBIDE DINITRATE

O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]

Small molecule

Vasodilator (coronary)

O=[N+]([O-])OC1COC2C(O[N+](=O)[O-])COC12

CHEMBL11

IMIPRAMINE

CN(C)CCCN1c2ccccc2CCc2ccccc21

Small molecule

Antidepressant

CN(C)CCCN1c2ccccc2CCc2ccccc21

CHEMBL406

INDAPAMIDE

CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

Small molecule

Antihypertensive; Diuretic

CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

CHEMBL407

FLUMAZENIL

CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2

Small molecule

Antagonist (to benzodiazepine)

CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2

CHEMBL408

TROGLITAZONE

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

Small molecule

Antidiabetic

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2

CHEMBL409

BICALUTAMIDE

CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

Small molecule

Antineoplastic

CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

CHEMBL12

DIAZEPAM

CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

Small molecule

Sedative-Hypnotic

CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

CHEMBL13

METOPROLOL

COCCc1ccc(OCC(O)CNC(C)C)cc1

Small molecule

Anti-Adrenergic (beta-receptor),Antihypertensive,Antihypertensive; Anti-Anginal

COCCc1ccc(OCC(O)CNC(C)C)cc1

CHEMBL411

DIETHYLSTILBESTROL

CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1

Small molecule

Estrogen

CC=C(c1ccc(O)cc1)C(CC)c1ccc(O)cc1

CHEMBL267936

MECAMYLAMINE

CNC1(C)C2CCC(C2)C1(C)C

Small molecule

Antihypertensive

CNC1(C)C2CCC(C2)C1(C)C

CHEMBL14

CARBACHOL

C[N+](C)(C)CCOC(N)=O.[Cl-]

Small molecule

Cholinergic (ophthalmic)

C[N+](C)(C)CCOC(N)=O

CHEMBL16

PHENYTOIN

O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1

Small molecule

Anticonvulsant

O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1

CHEMBL413

SIROLIMUS

CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)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/1C

Small molecule

Immunosuppressant

COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)=CC(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C

CHEMBL269732

TACROLIMUS

C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC

Small molecule

Immunosuppressant

C=CCC1=CC(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

CHEMBL415

CLOMIPRAMINE

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21

Small molecule

Antidepressant

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21

CHEMBL416

METHOXSALEN

COc1c2occc2cc2ccc(=O)oc12

Small molecule

Pigmentation Agent

COc1c2occc2cc2ccc(=O)oc12

CHEMBL17

DICHLORPHENAMIDE

NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1

Small molecule

Carbonic Anhydrase Inhibitor

NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1

CHEMBL18

ETHOXZOLAMIDE

CCOc1ccc2nc(S(N)(=O)=O)sc2c1

Small molecule

CCOc1ccc2nc(S(N)(=O)=O)sc2c1

CHEMBL417

EPIRUBICIN

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1

Small molecule

Antineoplastic

COc1cccc2c(O)c3c(O)c4c(c(O)c3c(O)c12)=C(OC1CC(N)C(O)C(C)O1)CC(O)(C(=O)CO)C=4

CHEMBL19

METHAZOLAMIDE

CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C

Small molecule

Carbonic Anhydrase Inhibitor

CC(=O)N=c1sc(S(N)(=O)=O)nn1C

CHEMBL20

ACETAZOLAMIDE

CC(=O)Nc1nnc(S(N)(=O)=O)s1

Small molecule

Carbonic Anhydrase Inhibitor

CC(=O)N=c1[nH]nc(S(N)(=O)=O)s1

CHEMBL419

MAFENIDE

NCc1ccc(S(N)(=O)=O)cc1

Small molecule

Anti-Infective, Topical,Antibacterial

NCc1ccc(S(N)(=O)=O)cc1

CHEMBL21

SULFANILAMIDE

Nc1ccc(S(N)(=O)=O)cc1

Small molecule

Nc1ccc(S(N)(=O)=O)cc1

CHEMBL420

GUANABENZ

N=C(N)N/N=C/c1c(Cl)cccc1Cl

Small molecule

Antihypertensive

N=C(N)NN=Cc1c(Cl)cccc1Cl

CHEMBL22

TRIMETHOPRIM

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

Small molecule

Antibacterial

COc1cc(Cc2c[nH]c(=N)[nH]c2=N)cc(OC)c1OC

CHEMBL6966

VERAPAMIL

COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

Small molecule

Anti-Anginal; Cardiac Depressant (anti-arrhythmic),Vasodilator (coronary)

COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC

CHEMBL421

SULFASALAZINE

O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Small molecule

Antibacterial

O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)N=c3cccc[nH]3)cc2)ccc1O

CHEMBL23

DILTIAZEM

COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1

Small molecule

Antihypertensive,Vasodilator (coronary)

COc1ccc(C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(C)=O)cc1

CHEMBL24

ATENOLOL

CC(C)NCC(O)COc1ccc(CC(N)=O)cc1

Small molecule

Anti-Adrenergic (beta-receptor)

CC(C)NCC(O)COc1ccc(CC(N)=O)cc1

CHEMBL25

CC(=O)Oc1ccccc1C(=O)O

Small molecule

Analgesic; Antirheumatic; Antipyretic

CC(=O)Oc1ccccc1C(=O)O

CHEMBL422

TRIFLUOPERAZINE

CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

Small molecule

Antipsychotic; Sedative-Hypnotic

CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

CHEMBL423

BETAXOLOL

CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

Small molecule

Antihypertensive; Anti-Anginal

CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1

CHEMBL425

OLSALAZINE

O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O

Small molecule

Anti-Inflammatory (gastrointestinal)

O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O

CHEMBL27

PROPRANOLOL

CC(C)NCC(O)COc1cccc2ccccc12

Small molecule

Cardiac Depressant (anti-arrhythmic); Anti-Adrenergic (beta-receptor)

CC(C)NCC(O)COc1cccc2ccccc12

CHEMBL427

MECHLORETHAMINE

CN(CCCl)CCCl

Small molecule

Antineoplastic

CN(CCCl)CCCl

CHEMBL29

BENZYLPENICILLIN

CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O

Small molecule

Antibacterial

CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O

CHEMBL30

CIMETIDINE

CN/C(=N\CCSCc1nc[nH]c1C)NC#N

Small molecule

Antagonist (to histamine-H2 receptors)

CN=C(NC#N)NCCSCc1[nH]cnc1C

CHEMBL31

GATIFLOXACIN

COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

Small molecule

Antibacterial

COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

CHEMBL429

LABETALOL

CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1

Small molecule

Anti-Adrenergic (beta-receptor); Anti-Adrenergic (alpha-receptor)

CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1

CHEMBL32

MOXIFLOXACIN

COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

Small molecule

COc1c(N2CC3CCCNC3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

CHEMBL430

GEMIFLOXACIN

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN

Small molecule

CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN

CHEMBL431

SPIRAPRIL

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2

Small molecule

Enzyme Inhibitor (angiotensin-converting)

CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CC2(CC1C(=O)O)SCCS2

CHEMBL433

VALPROATE SODIUM

CCCC(CCC)C(=O)[O-].[Na+]

Small molecule

Anticonvulsant

CCCC(CCC)C(=O)O

CHEMBL434

ISOPROTERENOL

CC(C)NCC(O)c1ccc(O)c(O)c1

Small molecule

Bronchodilator

CC(C)NCC(O)c1ccc(O)c(O)c1

CHEMBL435

HYDROCHLOROTHIAZIDE

NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

Small molecule

NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O

CHEMBL35

FUROSEMIDE

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

Small molecule

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl

CHEMBL36

PYRIMETHAMINE

CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1

Small molecule

Antimalarial

CCc1[nH]c(=N)[nH]c(=N)c1-c1ccc(Cl)cc1

CHEMBL437

SULFATHIAZOLE

Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

Small molecule

Antibacterial

Nc1ccc(S(=O)(=O)N=c2[nH]ccs2)cc1

CHEMBL438

SULFAMERAZINE

Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1

Small molecule

Antibacterial

Cc1cc[nH]c(=NS(=O)(=O)c2ccc(N)cc2)n1

CHEMBL439

SULFADIAZINE

Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1

Small molecule

Anti-Infective, Topical,Antibacterial

Nc1ccc(S(=O)(=O)N=c2nccc[nH]2)cc1

CHEMBL440

THIAMYLAL

C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O

Small molecule

Anesthetic (intravenous)

C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O

CHEMBL441

THIOPENTAL

CCCC(C)C1(CC)C(=O)NC(=S)NC1=O

Small molecule

Anesthetic (intravenous); Anticonvulsant

CCCC(C)C1(CC)C(=O)NC(=S)NC1=O

CHEMBL442

ERGOTAMINE

CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21

Small molecule

Analgesic (specific in migraine)

CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)=CC2c3cccc4[nH]cc(c34)CC21

CHEMBL38

TRETINOIN

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1

Small molecule

Keratolytic

CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O

CHEMBL7413

METHOHEXITAL

C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O

Small molecule

Anesthetic (intravenous)

C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O

CHEMBL41

FLUOXETINE

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Small molecule

Antidepressant

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

CHEMBL443

SULFAMETHOXAZOLE

Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1

Small molecule

Antibacterial

Cc1cc(=NS(=O)(=O)c2ccc(N)cc2)[nH]o1

CHEMBL42

CLOZAPINE

CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

Small molecule

Antipsychotic

CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1

CHEMBL445

NORTRIPTYLINE

CNCCC=C1c2ccccc2CCc2ccccc21

Small molecule

Antidepressant

CNCCC=C1c2ccccc2CCc2ccccc21

CHEMBL446

SULFAMETHAZINE

Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1

Small molecule

Antibacterial

Cc1cc(C)[nH]c(=NS(=O)(=O)c2ccc(N)cc2)n1

CHEMBL447

SECOBARBITAL

C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O

Small molecule

Sedative-Hypnotic

C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O

CHEMBL448

PENTOBARBITAL

CCCC(C)C1(CC)C(=O)NC(=O)NC1=O

Small molecule

Sedative-Hypnotic

CCCC(C)C1(CC)C(=O)NC(=O)NC1=O

CHEMBL449

BUTABARBITAL

CCC(C)C1(CC)C(=O)NC(=O)NC1=O

Small molecule

Sedative-Hypnotic

CCC(C)C1(CC)C(=O)NC(=O)NC1=O

CHEMBL450

METHARBITAL

CCC1(CC)C(=O)NC(=O)N(C)C1=O

Small molecule

CCC1(CC)C(=O)NC(=O)N(C)C1=O

CHEMBL451

CHLORDIAZEPOXIDE

CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1

Small molecule

Sedative-Hypnotic,Tranquilizer (minor)

CN=C1C=[N+]([O-])C(c2ccccc2)c2cc(Cl)ccc2N1

CHEMBL452

CLONAZEPAM

O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1

Small molecule

Anticonvulsant

O=C1C=NC(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1

CHEMBL453

SULFISOXAZOLE

Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C

Small molecule

Antibacterial

Cc1[nH]oc(=NS(=O)(=O)c2ccc(N)cc2)c1C

CHEMBL454

BUTALBITAL

C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O

Small molecule

Sedative-Hypnotic

C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O

CHEMBL455

SULFACETAMIDE

CC(=O)NS(=O)(=O)c1ccc(N)cc1

Small molecule

Antibacterial

CC(=O)NS(=O)(=O)c1ccc(N)cc1

CHEMBL456

ETHACRYNIC ACID

C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

Small molecule

C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl

CHEMBL267744

TICRYNAFEN

O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl

Small molecule

Diuretic; Uricosuric; Antihypertensive

O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl

CHEMBL457

GEMFIBROZIL

Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1

Small molecule

Antihyperlipidemic

Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1

CHEMBL46

ONDANSETRON

Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O

Small molecule

Anti-Anxiety Agent; Anti-Emetic; Antischizophrenic

Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O

CHEMBL49

BUSPIRONE

O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1

Small molecule

Tranquilizer (minor)

O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1

CHEMBL459

METHYLDOPA

C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O

Small molecule

Antihypertensive

CC(N)(Cc1ccc(O)c(O)c1)C(=O)O

CHEMBL460

MOLINDONE

CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2

Small molecule

Antipsychotic

CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2

CHEMBL53

APOMORPHINE

CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3

Small molecule

CN1CCc2cccc3c2C1Cc1ccc(O)c(O)c1-3

CHEMBL54

HALOPERIDOL

O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

Small molecule

Antidyskinetic (in gilles de la tourette's disease); Antipsychotic

O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

CHEMBL55

PENTAMIDINE

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1

Small molecule

N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1

CHEMBL464

ETRETINATE

CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C

Small molecule

Antipsoriatic

CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C

CHEMBL57

NEVIRAPINE

Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1

Small molecule

Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1

CHEMBL465

DRONABINOL

CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21

Small molecule

Anti-Emetic

CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

CHEMBL58

MITOXANTRONE

O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21

Small molecule

Antineoplastic

OCCN=CCNc1ccc(NCCNCCO)c2c(O)c3c(O)ccc(O)c3c(O)c12

CHEMBL467

HYDROXYUREA

NC(=O)NO

Small molecule

Antineoplastic

NC(O)=NO

CHEMBL61

PODOFILOX

COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC

Small molecule

Antimitotic

COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC

CHEMBL64

ISONIAZID

NNC(=O)c1ccncc1

Small molecule

Antibacterial (tuberculostatic)

NNC(=O)c1ccncc1

CHEMBL468

THALIDOMIDE

O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

Small molecule

Sedative-Hypnotic

O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

CHEMBL469

KETOROLAC

O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O

Small molecule

Analgesic

O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O

CHEMBL471

SOTALOL

CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1

Small molecule

Anti-Adrenergic (beta-receptor)

CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1