| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| pirenzepine | [no description available] | medium | 106 | 0 | pyridobenzodiazepine | anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist |
| pirenzepine | [no description available] | medium | 106 | 13 | pyridobenzodiazepine | anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist |
| 11-[2-[4-(2-aminoethyl)-1-piperazinyl]-1-oxoethyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one | [no description available] | medium | 1 | 0 | benzodiazepine | |
| N-[2-[[11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-8-yl]sulfonylamino]ethyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | benzodiazepine | |
| phenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| acetaminophen | [no description available] | medium | 3 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| alosetron | [no description available] | medium | 1 | 0 | imidazoles;
pyridoindole | antiemetic;
gastrointestinal drug;
serotonergic antagonist |
| theophylline | [no description available] | medium | 2 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| amiodarone | [no description available] | medium | 3 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| anastrozole | [no description available] | medium | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| aspirin | [no description available] | medium | 2 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| bumetanide | [no description available] | medium | 3 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| busulfan | [no description available] | medium | 3 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| caffeine | [no description available] | medium | 3 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| candesartan | [no description available] | medium | 2 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| carbamazepine | [no description available] | medium | 3 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| chlorambucil | [no description available] | medium | 1 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chlorpromazine | [no description available] | medium | 3 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| cimetidine | [no description available] | medium | 8 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| ciprofloxacin | [no description available] | medium | 2 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| clofibrate | [no description available] | medium | 2 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
monochlorobenzenes | anticonvulsant;
anxiolytic drug;
GABA modulator |
| clonidine | [no description available] | medium | 1 | 0 | clonidine;
imidazoline | |
| dapsone | [no description available] | medium | 3 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| diphenhydramine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| valproic acid | [no description available] | medium | 3 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| domperidone | [no description available] | medium | 2 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| domperidone | [no description available] | medium | 2 | 1 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| doxazosin | [no description available] | medium | 1 | 0 | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| fluphenazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| gabapentin | [no description available] | medium | 3 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| glimepiride | [no description available] | medium | 3 | 0 | sulfonamide | |
| glipizide | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
| glyburide | [no description available] | medium | 2 | 0 | monochlorobenzenes;
N-sulfonylurea | anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent |
| granisetron | [no description available] | medium | 1 | 0 | aromatic amide;
indazoles | |
| haloperidol | [no description available] | medium | 2 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| hydrochlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| imipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| avapro | [no description available] | medium | 2 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| lansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| letrozole | [no description available] | medium | 2 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| losartan | [no description available] | medium | 3 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| metoclopramide | [no description available] | medium | 2 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| milrinone | [no description available] | medium | 1 | 0 | bipyridines;
nitrile;
pyridone | cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine;
sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| nevirapine | [no description available] | medium | 2 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nifedipine | [no description available] | medium | 3 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| nimodipine | [no description available] | medium | 2 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative |
| nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist |
| pantoprazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| prazosin | [no description available] | medium | 3 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primidone | [no description available] | medium | 2 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
| protriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant |
| raloxifene | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| risperidone | [no description available] | medium | 4 | 0 | 1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist |
| rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| rofecoxib | [no description available] | medium | 2 | 0 | butenolide;
sulfone | analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| ropinirole | [no description available] | medium | 1 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
| saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
| tolbutamide | [no description available] | medium | 3 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| ultram | [no description available] | medium | 1 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic;
sodium channel blocker |
| triazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | sedative |
| trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| delavirdine | [no description available] | medium | 1 | 0 | aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| zaleplon | [no description available] | medium | 1 | 0 | nitrile;
pyrazolopyrimidine | anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative |
| zolpidem | [no description available] | medium | 2 | 0 | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative |
| spironolactone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| prednisone | [no description available] | medium | 2 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
| chloramphenicol | [no description available] | medium | 2 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| physostigmine | [no description available] | medium | 2 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| ethinyl estradiol | [no description available] | medium | 3 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug |
| norethindrone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| phencyclidine | [no description available] | medium | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| methylprednisolone | [no description available] | medium | 2 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| fluocortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone;
erythromycin | |
| levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound | contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive |
| estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
| ethambutol | [no description available] | medium | 1 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
| dronabinol | [no description available] | medium | 1 | 0 | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic |
| pimozide | [no description available] | medium | 3 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| stavudine | [no description available] | medium | 2 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| levomethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | antitussive;
mu-opioid receptor agonist;
NMDA receptor antagonist;
opioid analgesic |
| phenylethylmalonamide | [no description available] | medium | 1 | 0 | amine | |
| metopimazine | [no description available] | medium | 1 | 0 | phenothiazines | |
| cephalexin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| metergoline | [no description available] | medium | 2 | 0 | carbamate ester;
ergoline alkaloid | dopamine agonist;
geroprotector;
serotonergic antagonist |
| bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles | antibacterial drug |
| zidovudine | [no description available] | medium | 2 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| ribavirin | [no description available] | medium | 2 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| torsemide | [no description available] | medium | 2 | 0 | aminopyridine;
N-sulfonylurea;
secondary amino compound | antihypertensive agent;
loop diuretic |
| idarubicin | [no description available] | medium | 1 | 0 | anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative | |
| endralazine | [no description available] | medium | 1 | 0 | benzamides | |
| cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| pirazolac | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 2 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| simvastatin | [no description available] | medium | 3 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| atomoxetine | [no description available] | medium | 2 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| eproxindine | [no description available] | medium | 1 | 0 | | |
| (S)-nomifensine | [no description available] | medium | 1 | 0 | nomifensine | |
| (2S)-2-[[oxo-(4-propan-2-ylcyclohexyl)methyl]amino]-3-phenylpropanoic acid | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
| tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes | anticonvulsant;
GABA reuptake inhibitor |
| topotecan | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| lamivudine | [no description available] | medium | 2 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| ziprasidone | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines | antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist |
| zolmitriptan | [no description available] | medium | 1 | 0 | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| pipothiazine | [no description available] | medium | 1 | 0 | | |
| oseltamivir | [no description available] | medium | 1 | 0 | acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic |
| repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
| dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor |
| drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
steroid lactone | aldosterone antagonist;
contraceptive drug;
progestin |
| fenflumizole | [no description available] | medium | 1 | 0 | | |
| prednisolone phosphate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone | anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug |
| (S)-flurbiprofen | [no description available] | medium | 1 | 0 | flurbiprofen | |
| atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
| eletriptan | [no description available] | medium | 1 | 0 | indoles;
N-alkylpyrrolidine;
sulfone | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent |
| clarithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| moexipril | [no description available] | medium | 1 | 0 | peptide | |
| lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
| tarenflurbil | [no description available] | medium | 1 | 0 | flurbiprofen | |
| bosentan anhydrous | [no description available] | medium | 3 | 0 | primary alcohol;
pyrimidines;
sulfonamide | antihypertensive agent;
endothelin receptor antagonist |
| ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
| pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles;
diamine | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger |
| almotriptan | [no description available] | medium | 1 | 0 | indoles;
sulfonamide;
tertiary amine | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| gefitinib | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| methotrexate | [no description available] | medium | 3 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| escitalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| levofloxacin | [no description available] | medium | 3 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| disopyramide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
| isradipine, (s)-isomer | [no description available] | medium | 1 | 0 | | |
| olmesartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent |
| ketoprofen | [no description available] | medium | 1 | 0 | | |
| quinidine | [no description available] | medium | 2 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| digitoxin | [no description available] | medium | 2 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| abacavir | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor |
| linezolid | [no description available] | medium | 2 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| mycophenolic acid | [no description available] | medium | 1 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| melphalan | [no description available] | medium | 2 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chloroquine diphosphate | [no description available] | medium | 1 | 0 | chloroquine | |
| dextromethadone | [no description available] | medium | 1 | 0 | 6-(dimethylamino)-4,4-diphenylheptan-3-one | NMDA receptor antagonist;
opioid analgesic |
| propylthiouracil | [no description available] | medium | 1 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| dexketoprofen | [no description available] | medium | 1 | 0 | benzophenones;
monocarboxylic acid | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ondansetron, (s)-isomer | [no description available] | medium | 1 | 0 | | |
| eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant;
sedative |
| methimazole | [no description available] | medium | 3 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| digoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| hmr 3647 | [no description available] | medium | 2 | 0 | | |
| tocainide, (s)-isomer | [no description available] | medium | 1 | 0 | | |
| calcitriol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
| clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor |
| pulmicort | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
bronchodilator agent;
drug allergen |
| montelukast | [no description available] | medium | 2 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| codeine | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| hydromorphone | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | mu-opioid receptor agonist;
opioid analgesic |
| naloxone | [no description available] | medium | 2 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| proscillaridin | [no description available] | medium | 1 | 0 | organic molecular entity | |
| sirolimus | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| topiramate | [no description available] | medium | 3 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
| fluticasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester | anti-allergic agent;
anti-asthmatic drug |
| nalbuphine | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist;
opioid analgesic |
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid;
indoles;
organofluorine compound | |
| naltrexone | [no description available] | medium | 4 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
| trandolapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| (R)-citalopram | [no description available] | medium | 1 | 0 | 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | |
| 1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 2 | 0 | ergot alkaloid;
monocarboxylic acid amide | serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent |
| nitrofurantoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| dutasteride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aza-steroid;
delta-lactam | antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
| gemifloxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor |
| norfenfluramine | [no description available] | medium | 1 | 0 | amphetamines | |
| milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
| tetracycline | [no description available] | medium | 2 | 0 | | |
| chlortetracycline | [no description available] | medium | 1 | 0 | | |
| oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
| minocycline | [no description available] | medium | 1 | 0 | | |
| methacycline | [no description available] | medium | 1 | 0 | | |
| piroxicam | [no description available] | medium | 2 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| (S)-warfarin | [no description available] | medium | 1 | 0 | 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one | |
| rifampin | [no description available] | medium | 2 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| clozapine | [no description available] | medium | 5 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| sildenafil | [no description available] | medium | 2 | 0 | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
| ethylene dichloride | [no description available] | medium | 1 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
| ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
| 4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen;
metabolite |
| aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid | antifibrinolytic drug;
hematologic agent;
metabolite |
| hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
| inositol | [no description available] | medium | 1 | 0 | cyclitol;
hexol | |
| melatonin | [no description available] | medium | 1 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
| niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| pyridoxine | [no description available] | medium | 2 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| thiamine | [no description available] | medium | 1 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 2,4-dinitrophenol | [no description available] | medium | 1 | 0 | dinitrophenol | allergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor |
| tacrine | [no description available] | medium | 2 | 0 | acridines;
aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| acetohexamide | [no description available] | medium | 1 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| albendazole | [no description available] | medium | 1 | 0 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| aminoglutethimide | [no description available] | medium | 2 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| amoxapine | [no description available] | medium | 2 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| astemizole | [no description available] | medium | 2 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| azathioprine | [no description available] | medium | 2 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| bithionol | [no description available] | medium | 1 | 0 | aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol | antifungal agrochemical;
antiplatyhelmintic drug |
| bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| buspirone | [no description available] | medium | 2 | 0 | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| chlorpropamide | [no description available] | medium | 2 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorzoxazone | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone | antibacterial agent;
antiseborrheic |
| ciglitazone | [no description available] | medium | 1 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| cisapride | [no description available] | medium | 1 | 0 | benzamides | |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| clomiphene | [no description available] | medium | 2 | 0 | tertiary amine | estrogen antagonist;
estrogen receptor modulator |
| clomipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| cromolyn | [no description available] | medium | 2 | 0 | chromones;
dicarboxylic acid | anti-asthmatic drug;
calcium channel blocker |
| desipramine | [no description available] | medium | 2 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
| diclofenac | [no description available] | medium | 2 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| diethylcarbamazine | [no description available] | medium | 1 | 0 | N-carbamoylpiperazine;
N-methylpiperazine | |
| dimercaprol | [no description available] | medium | 1 | 0 | dithiol;
primary alcohol | chelator |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disulfiram | [no description available] | medium | 2 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| donepezil | [no description available] | medium | 3 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| ethosuximide | [no description available] | medium | 2 | 0 | dicarboximide;
pyrrolidinone | anticonvulsant;
geroprotector;
T-type calcium channel blocker |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 1 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| fexofenadine | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | anti-allergic agent;
H1-receptor antagonist |
| fipexide | [no description available] | medium | 1 | 0 | benzodioxoles | |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flumazenil | [no description available] | medium | 2 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| fluoxetine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| flurbiprofen | [no description available] | medium | 2 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
| flutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| foscarnet | [no description available] | medium | 1 | 0 | carboxylic acid;
one-carbon compound;
phosphonic acids | antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor |
| furosemide | [no description available] | medium | 2 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| gemfibrozil | [no description available] | medium | 1 | 0 | aromatic ether | antilipemic drug |
| glafenine | [no description available] | medium | 2 | 0 | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gliclazide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
insulin secretagogue;
radical scavenger |
| glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
| hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| ibuprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| phenelzine | [no description available] | medium | 2 | 0 | primary amine | |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| amrinone | [no description available] | medium | 2 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indomethacin | [no description available] | medium | 2 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide;
pyridines | |
| isocarboxazid | [no description available] | medium | 1 | 0 | benzenes | |
| isoniazid | [no description available] | medium | 2 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| ketoprofen | [no description available] | medium | 1 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| ketotifen | [no description available] | medium | 2 | 0 | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist |
| labetalol | [no description available] | medium | 2 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| leflunomide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide | antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor |
| maprotiline | [no description available] | medium | 1 | 0 | anthracenes | |
| mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
| mefenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| memantine | [no description available] | medium | 2 | 0 | adamantanes;
primary aliphatic amine | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| vitamin k 3 | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| metformin | [no description available] | medium | 2 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methapyrilene | [no description available] | medium | 2 | 0 | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| nocodazole | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes | antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator |
| methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester;
methyl ester;
piperidines | |
| metolazone | [no description available] | medium | 1 | 0 | organochlorine compound;
quinazolines;
sulfonamide | antihypertensive agent;
diuretic;
ion transport inhibitor |
| metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound;
imidazoles;
primary alcohol | antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic |
| mianserin | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist |
| miconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
ether;
imidazoles | |
| nalidixic acid | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nefazodone | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nimesulide | [no description available] | medium | 1 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nisoldipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | |
| nomifensine | [no description available] | medium | 2 | 0 | isoquinolines | dopamine uptake inhibitor |
| oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxibendazole | [no description available] | medium | 2 | 0 | benzimidazoles;
carbamate ester | |
| aminosalicylic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pamidronate | [no description available] | medium | 1 | 0 | phosphonoacetic acid | |
| 4-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | insecticide |
| pargyline | [no description available] | medium | 2 | 0 | aromatic amine | |
| pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
| perhexiline | [no description available] | medium | 2 | 0 | piperidines | cardiovascular drug |
| phenacetin | [no description available] | medium | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| phenylbutazone | [no description available] | medium | 1 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| pinacidil | [no description available] | medium | 2 | 0 | pyridines | |
| pindolol | [no description available] | medium | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| pioglitazone | [no description available] | medium | 2 | 0 | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic |
| praziquantel | [no description available] | medium | 2 | 0 | isoquinolines | |
| probenecid | [no description available] | medium | 2 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 2 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| propranolol | [no description available] | medium | 2 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| pyrimethamine | [no description available] | medium | 2 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
| riluzole | [no description available] | medium | 2 | 0 | benzothiazoles | |
| sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfamethizole | [no description available] | medium | 2 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfanilamide | [no description available] | medium | 1 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| sulfinpyrazone | [no description available] | medium | 1 | 0 | pyrazolidines;
sulfoxide | uricosuric drug |
| sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| sumatriptan | [no description available] | medium | 1 | 0 | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| terfenadine | [no description available] | medium | 2 | 0 | diarylmethane | |
| ticlopidine | [no description available] | medium | 2 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant;
geroprotector |
| troglitazone | [no description available] | medium | 2 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| zomepirac | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug |
| oxyphenonium | [no description available] | medium | 1 | 0 | acylcholine | |
| cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| sorbitol | [no description available] | medium | 1 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| floxuridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent |
| isoproterenol hydrochloride | [no description available] | medium | 1 | 0 | catechols | |
| estrone | [no description available] | medium | 2 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor |
| pilocarpine | [no description available] | medium | 4 | 0 | pilocarpine | antiglaucoma drug |
| triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative |
| levodopa | [no description available] | medium | 2 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector;
mutagen |
| lactose | [no description available] | medium | 1 | 0 | lactose | |
| primaquine phosphate | [no description available] | medium | 1 | 0 | | |
| colchicine | [no description available] | medium | 2 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| gallamine triethiodide | [no description available] | medium | 3 | 0 | | |
| uracil mustard | [no description available] | medium | 1 | 0 | aminouracil;
nitrogen mustard | |
| chloroform | [no description available] | medium | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| medroxyprogesterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester | adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive |
| mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| arginine | [no description available] | medium | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| tromethamine | [no description available] | medium | 1 | 0 | primary amino compound;
triol | buffer |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| cyclizine | [no description available] | medium | 1 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant;
herbicide |
| isosorbide dinitrate | [no description available] | medium | 1 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| 2-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | marine metabolite |
| pyridostigmine bromide | [no description available] | medium | 2 | 0 | pyridinium salt | |
| 4,4'-diaminodiphenylmethane | [no description available] | medium | 1 | 0 | aromatic amine | allergen;
carcinogenic agent |
| phenylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | allergen;
reagent |
| 4-bromophenol | [no description available] | medium | 1 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
| 2-bromoethylamine | [no description available] | medium | 1 | 0 | | |
| allyl alcohol | [no description available] | medium | 1 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| bromobenzene | [no description available] | medium | 1 | 0 | bromoarene;
bromobenzenes;
volatile organic compound | hepatotoxic agent;
mouse metabolite;
non-polar solvent |
| n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid;
straight-chain saturated fatty acid | plant metabolite |
| imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
| mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
| edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| di-n-pentyl phthalate | [no description available] | medium | 1 | 0 | diester;
phthalate ester | plasticiser |
| cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
| phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
| diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| ethynodiol diacetate | [no description available] | medium | 1 | 0 | steroid ester;
terminal acetylenic compound | contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive |
| hydrazine | [no description available] | medium | 1 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| pseudoephedrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | plant metabolite |
| procarbazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
| betamethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| lithocholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
| 1-naphthylisothiocyanate | [no description available] | medium | 1 | 0 | isothiocyanate | insecticide |
| isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
| betaine hydrochloride | [no description available] | medium | 1 | 0 | | |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| 3-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides;
phenols | non-narcotic analgesic |
| methoxyacetic acid | [no description available] | medium | 1 | 0 | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen |
| cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
| vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector;
herbicide |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| clonidine hydrochloride | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| cladribine | [no description available] | medium | 1 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| ethylene dimethanesulfonate | [no description available] | medium | 1 | 0 | | |
| mexiletine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| beclomethasone dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester | anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug |
| vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| carbendazim | [no description available] | medium | 1 | 0 | benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent |
| ethionine | [no description available] | medium | 1 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
| danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| disopyramide phosphate | [no description available] | medium | 1 | 0 | organoammonium phosphate | |
| ursodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| butylated hydroxytoluene | [no description available] | medium | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| amoxicillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| pirprofen | [no description available] | medium | 1 | 0 | pyrroline | |
| serentil | [no description available] | medium | 1 | 0 | organosulfonate salt | dopaminergic antagonist;
first generation antipsychotic |
| tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| carbidopa | [no description available] | medium | 1 | 0 | catechols;
hydrate;
hydrazines;
monocarboxylic acid | antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| cephradine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin | antibacterial drug |
| ticrynafen | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent |
| bezafibrate | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 1 | 0 | | |
| benoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
| flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
| nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
| epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| indacrinone | [no description available] | medium | 1 | 0 | | |
| paroxetine | [no description available] | medium | 1 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| butoconazole nitrate | [no description available] | medium | 1 | 0 | aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt | |
| cefadroxil anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| fialuridine | [no description available] | medium | 1 | 0 | | |
| mitoxantrone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
| cefotetan | [no description available] | medium | 1 | 0 | | |
| tolrestat | [no description available] | medium | 2 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| bambuterol | [no description available] | medium | 1 | 0 | carbamate ester;
phenylethanolamines | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent |
| quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| alpidem | [no description available] | medium | 2 | 0 | imidazoles | |
| temafloxacin | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | |
| clinafloxacin | [no description available] | medium | 1 | 0 | quinolines | |
| zileuton | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| mibefradil | [no description available] | medium | 1 | 0 | tetralins | T-type calcium channel blocker |
| bromfenac | [no description available] | medium | 1 | 0 | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| valsartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| tasosartan | [no description available] | medium | 1 | 0 | biphenyls | |
| saquinavir monomethanesulfonate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| adenosine | [no description available] | medium | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| allyl formate | [no description available] | medium | 1 | 0 | | |
| desferrioxamine b mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antidote;
ferroptosis inhibitor;
iron chelator |
| bupropion hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
| diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| trovafloxacin | [no description available] | medium | 1 | 0 | | |
| verapamil hydrochloride | [no description available] | medium | 2 | 0 | | |
| ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent;
dopamine agonist;
NMDA receptor antagonist |
| dobutamine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| iopamidol | [no description available] | medium | 1 | 0 | benzenedicarboxamide;
organoiodine compound;
pentol | environmental contaminant;
radioopaque medium;
xenobiotic |
| sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt | |
| telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| trimethobenzamide monohydrochloride | [no description available] | medium | 1 | 0 | | |
| amiloride hydrochloride | [no description available] | medium | 1 | 0 | hydrate | diuretic;
sodium channel blocker |
| econazole nitrate | [no description available] | medium | 1 | 0 | | |
| sertraline | [no description available] | medium | 2 | 0 | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor |
| lomefloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antimicrobial agent;
antitubercular agent;
photosensitizing agent |
| flunoxaprofen | [no description available] | medium | 1 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound | antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| tianeptine | [no description available] | medium | 1 | 0 | dibenzothiazepine;
monocarboxylic acid;
organochlorine compound | |
| loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| grepafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
| 2-naphthylisothiocyanate | [no description available] | medium | 1 | 0 | | |
| rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
| orphenadrine citrate | [no description available] | medium | 1 | 0 | citrate salt | H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| ketorolac tromethamine | [no description available] | medium | 1 | 0 | organoammonium salt | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor |
| n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 1 | 0 | pyrrolidines | |
| phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
| oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| cordium | [no description available] | medium | 1 | 0 | hydrate;
hydrochloride | |
| nsc-141549 | [no description available] | medium | 1 | 0 | | |
| cox 189 | [no description available] | medium | 1 | 0 | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| naproxen | [no description available] | medium | 2 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| biotin | [no description available] | medium | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| aflatoxin b1 | [no description available] | medium | 1 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| lapatinib | [no description available] | medium | 2 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
| fludrocortisone acetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone | |
| vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent;
geroprotector |
| acivicin | [no description available] | medium | 1 | 0 | isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor |
| taurolithocholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate;
monocarboxylic acid amide | human metabolite |
| (+)-limonene | [no description available] | medium | 1 | 0 | limonene | plant metabolite |
| griseofulvin | [no description available] | medium | 1 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| cefoxitin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative | antibacterial drug |
| moxalactam disodium | [no description available] | medium | 1 | 0 | | |
| mometasone furoate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester | anti-allergic agent;
anti-inflammatory drug |
| nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
| erythromycin estolate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt;
erythromycin derivative | enzyme inhibitor |
| kanamycin sulfate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt | antibacterial drug;
geroprotector |
| paromomycin sulfate | [no description available] | medium | 1 | 0 | | |
| calcium pantothenate | [no description available] | medium | 1 | 0 | polymer | |
| doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| maleic acid | [no description available] | medium | 1 | 0 | butenedioic acid | algal metabolite;
mouse metabolite;
plant metabolite |
| tretinoin | [no description available] | medium | 2 | 0 | retinoic acid;
vitamin A | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule |
| cyanoginosin lr | [no description available] | medium | 1 | 0 | microcystin | bacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic |
| cerivastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| drf 2725 | [no description available] | medium | 1 | 0 | | |
| dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
| azaserine | [no description available] | medium | 1 | 0 | carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid | antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite |
| arsenic trioxide | [no description available] | medium | 1 | 0 | arsenic oxide | antineoplastic agent;
insecticide |
| idarubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| carbenoxolone sodium | [no description available] | medium | 1 | 0 | triterpenoid | |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| thiothixene | [no description available] | medium | 2 | 0 | N-methylpiperazine | anticoronaviral agent |
| sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| capsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| (1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| thioacetamide | [no description available] | medium | 1 | 0 | thiocarboxamide | hepatotoxic agent |
| streptozocin | [no description available] | medium | 1 | 0 | | |
| tamoxifen | [no description available] | medium | 2 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| tolcapone | [no description available] | medium | 2 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| retinol palmitate | [no description available] | medium | 1 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
| chlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| clemastine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist |
| methylergonovine maleate | [no description available] | medium | 1 | 0 | ergoline alkaloid | geroprotector |
| entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
| estradiol-17 beta-glucuronide | [no description available] | medium | 1 | 0 | 3-hydroxy steroid;
steroid glucosiduronic acid | |
| isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| cyclosporine | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | anti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite |
| phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| acitretin | [no description available] | medium | 1 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| ly 163892 | [no description available] | medium | 1 | 0 | carbacephem;
zwitterion | antibacterial drug;
antimicrobial agent |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| furazolidone | [no description available] | medium | 1 | 0 | | |
| fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant;
anxiolytic drug;
serotonin uptake inhibitor |
| octylmethoxycinnamate | [no description available] | medium | 1 | 0 | cinnamate ester | |
| lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| benazepril | [no description available] | medium | 1 | 0 | benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
| trientine hydrochloride | [no description available] | medium | 1 | 0 | | |
| dextromethorphan hydrobromide | [no description available] | medium | 1 | 0 | hydrate;
hydrobromide | |
| indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
| ximelagatran | [no description available] | medium | 1 | 0 | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor |
| ceftazidime | [no description available] | medium | 1 | 0 | cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| fenoterol | [no description available] | medium | 1 | 0 | hydrobromide | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| aztreonam | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
monobactam | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| diphenoxylate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidiarrhoeal drug |
| ergonovine maleate | [no description available] | medium | 1 | 0 | maleate salt | diagnostic agent;
oxytocic |
| dantrolene sodium | [no description available] | medium | 1 | 0 | | |
| molindone hydrochloride | [no description available] | medium | 1 | 0 | indoles | |
| baci-im | [no description available] | medium | 1 | 0 | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent |
| cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s;
phosphocholines | human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite |
| clindamycin hydrochloride | [no description available] | medium | 1 | 0 | S-glycosyl compound | |
| quinine sulfate | [no description available] | medium | 1 | 0 | hydrate | |
| cefotiam hydrochloride | [no description available] | medium | 1 | 0 | | |
| potassium aminobenzoate | [no description available] | medium | 1 | 0 | | |
| ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| methicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| penicillin g sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
| cephapirin sodium | [no description available] | medium | 1 | 0 | cephalosporin;
organic sodium salt | antibacterial drug |
| sodium cephalothin | [no description available] | medium | 1 | 0 | organic sodium salt | |
| dicloxacillin sodium | [no description available] | medium | 1 | 0 | hydrate | |
| azlocillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| novobiocin | [no description available] | medium | 1 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| isoxicam | [no description available] | medium | 1 | 0 | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug |
| warfarin | [no description available] | medium | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| chlortetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| sudoxicam | [no description available] | medium | 1 | 0 | | |
| methacycline monohydrochloride | [no description available] | medium | 1 | 0 | | |
| minocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| folic acid | [no description available] | medium | 2 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
| didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| citrovorum factor | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
| rifabutin | [no description available] | medium | 1 | 0 | | |
| adenine | [no description available] | medium | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| quinacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| betaine | [no description available] | medium | 1 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
| carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite;
mouse metabolite |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| bupropion | [no description available] | medium | 1 | 0 | aromatic ketone;
monochlorobenzenes;
secondary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| guaiacol | [no description available] | medium | 1 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| histamine | [no description available] | medium | 3 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| acetanilide | [no description available] | medium | 1 | 0 | acetamides;
anilide | analgesic |
| enprofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug |
| oxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| acetarsol | [no description available] | medium | 1 | 0 | acetamides;
anilide | |
| ethacridine | [no description available] | medium | 1 | 0 | acridines | |
| 4-(acetylamino)benzeneacetic acid | [no description available] | medium | 1 | 0 | acetamides;
anilide | |
| adiphenine | [no description available] | medium | 1 | 0 | diarylmethane | |
| aklomide | [no description available] | medium | 1 | 0 | carbonyl compound;
organohalogen compound | |
| albuterol | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| altretamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | |
| p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
| amlodipine | [no description available] | medium | 1 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| amprolium | [no description available] | medium | 1 | 0 | pyridinium ion | coccidiostat |
| antazoline | [no description available] | medium | 1 | 0 | aromatic amine;
imidazolines;
tertiary amino compound | cholinergic antagonist;
H1-receptor antagonist;
xenobiotic |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| arecoline | [no description available] | medium | 1 | 0 | enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine | metabolite;
muscarinic agonist |
| bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| benserazide | [no description available] | medium | 1 | 0 | carbohydrazide;
catechols;
primary alcohol;
primary amino compound | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| benzocaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| benzothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bepridil | [no description available] | medium | 1 | 0 | pyrrolidines;
tertiary amine | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| betaxolol | [no description available] | medium | 1 | 0 | propanolamine | antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| bethanechol | [no description available] | medium | 2 | 0 | carbamate ester;
quaternary ammonium ion | muscarinic agonist |
| bisacodyl | [no description available] | medium | 1 | 0 | diarylmethane | |
| bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| bromhexine | [no description available] | medium | 1 | 0 | organobromine compound;
substituted aniline;
tertiary amino compound | mucolytic |
| seratrodast | [no description available] | medium | 1 | 0 | organic molecular entity | |
| butacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
| butamben | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| verapamil | [no description available] | medium | 1 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| carbamylcholine | [no description available] | medium | 1 | 0 | | |
| carbinoxamine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist |
| carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| carteolol | [no description available] | medium | 1 | 0 | quinolone;
secondary alcohol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| aricine | [no description available] | medium | 1 | 0 | cinchona alkaloid | |
| cloxyquin | [no description available] | medium | 1 | 0 | organochlorine compound;
quinolines | |
| cyclandelate | [no description available] | medium | 1 | 0 | carboxylic ester;
secondary alcohol | vasodilator agent |
| cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant;
muscle relaxant;
tranquilizing drug |
| debrisoquin | [no description available] | medium | 1 | 0 | carboxamidine;
isoquinolines | adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent |
| diazoxide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfone | antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent |
| dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes;
mancude organic heterotricyclic parent | keratolytic drug |
| dibucaine | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dichlorphenamide | [no description available] | medium | 1 | 0 | dichlorobenzene;
sulfonamide | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug |
| dicyclomine | [no description available] | medium | 1 | 0 | carboxylic ester;
tertiary amine | antispasmodic drug;
muscarinic antagonist;
parasympatholytic |
| dilacor xr | [no description available] | medium | 1 | 0 | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | |
| dimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | |
| diphenylpyraline | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | cholinergic antagonist;
H1-receptor antagonist |
| doxylamine | [no description available] | medium | 1 | 0 | pyridines;
tertiary amine | anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative |
| droperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone;
piperidines | topical anaesthetic |
| dyphylline | [no description available] | medium | 1 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| econazole | [no description available] | medium | 1 | 0 | dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes | |
| profenamine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amino compound | adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist |
| ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
| etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator |
| fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent |
| berotek | [no description available] | medium | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| flecainide | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| guanethidine | [no description available] | medium | 1 | 0 | azocanes;
guanidines | adrenergic antagonist;
antihypertensive agent;
sympatholytic agent |
| hexoprenaline | [no description available] | medium | 1 | 0 | | |
| hexamethylene bisacetamide | [no description available] | medium | 1 | 0 | acetamides | |
| hydralazine | [no description available] | medium | 1 | 0 | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent |
| hydroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| hydroxyzine | [no description available] | medium | 1 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
| indapamide | [no description available] | medium | 1 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug |
| isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
| isoproterenol | [no description available] | medium | 1 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| isoxsuprine | [no description available] | medium | 1 | 0 | alkylbenzene | |
| ly 171883 | [no description available] | medium | 1 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
organochlorine compound;
secondary amino compound | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| mephenesin | [no description available] | medium | 1 | 0 | aromatic ether;
glycerol ether | |
| mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
| benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 1 | 0 | benzoate ester | |
| mesalamine | [no description available] | medium | 1 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| metaproterenol | [no description available] | medium | 1 | 0 | aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| metyrapone | [no description available] | medium | 1 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| minoxidil | [no description available] | medium | 1 | 0 | dialkylarylamine;
tertiary amino compound | |
| mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
| acecainide | [no description available] | medium | 1 | 0 | acetamides;
benzamides | anti-arrhythmia drug |
| nadolol | [no description available] | medium | 1 | 0 | tetralins | |
| nafronyl | [no description available] | medium | 1 | 0 | naphthalenes | |
| naftopidil | [no description available] | medium | 1 | 0 | piperazines | |
| naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
| neostigmine | [no description available] | medium | 2 | 0 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| nicardipine | [no description available] | medium | 1 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| nilvadipine | [no description available] | medium | 1 | 0 | dihydropyridine;
isopropyl ester;
methyl ester;
nitrile | |
| nitromide | [no description available] | medium | 1 | 0 | | |
| 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
| nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
| ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| orphenadrine | [no description available] | medium | 1 | 0 | ether;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
| oxprenolol | [no description available] | medium | 1 | 0 | aromatic ether | |
| benoxinate | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound | drug allergen;
local anaesthetic;
topical anaesthetic |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| pentamidine | [no description available] | medium | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
| perphenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
| 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | [no description available] | medium | 1 | 0 | pyrroloindole | |
| piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| piretanide | [no description available] | medium | 1 | 0 | aromatic ether | |
| practolol | [no description available] | medium | 1 | 0 | acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
beta-adrenergic antagonist |
| duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator |
| primaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| proadifen | [no description available] | medium | 1 | 0 | diarylmethane | |
| procaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline;
tertiary amino compound | central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug |
| prochlorperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines | alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic |
| propafenone | [no description available] | medium | 1 | 0 | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug |
| pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| roxarsone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
organoarsonic acid | agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat |
| salicylamide | [no description available] | medium | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| salicylsalicylic acid | [no description available] | medium | 1 | 0 | benzoate ester;
benzoic acids;
phenols;
salicylates | antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| sulfadiazine | [no description available] | medium | 1 | 0 | pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic |
| spiperone | [no description available] | medium | 1 | 0 | aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist |
| imatinib | [no description available] | medium | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| succinylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
| sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfadimethoxine | [no description available] | medium | 1 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
| sulpiride | [no description available] | medium | 1 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| tetracaine | [no description available] | medium | 1 | 0 | benzoate ester;
tertiary amino compound | local anaesthetic |
| tetrahydroxy-1,4-quinone | [no description available] | medium | 1 | 0 | hydroxybenzoquinone | keratolytic drug |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| thiabendazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| 2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic;
non-narcotic analgesic |
| thioridazine | [no description available] | medium | 1 | 0 | phenothiazines;
piperidines | alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
| tolazoline | [no description available] | medium | 1 | 0 | imidazoles | alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
| trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| trimebutine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| trimeprazine | [no description available] | medium | 1 | 0 | phenothiazines | |
| trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug;
photosensitizing agent |
| tropicamide | [no description available] | medium | 3 | 0 | acetamides | |
| tulobuterol | [no description available] | medium | 1 | 0 | organochlorine compound | |
| urapidil | [no description available] | medium | 1 | 0 | piperazines | |
| urethane | [no description available] | medium | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
| venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic |
| xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| xylometazoline | [no description available] | medium | 1 | 0 | alkylbenzene | |
| prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
| reserpine | [no description available] | medium | 1 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
| phentolamine | [no description available] | medium | 1 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
| metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
| apomorphine | [no description available] | medium | 2 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| ethopabate | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| cysteamine | [no description available] | medium | 2 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| acepromazine | [no description available] | medium | 1 | 0 | aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound | phenothiazine antipsychotic drug |
| methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist;
antihypotensive agent |
| zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
| berlition | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid | cofactor;
nutraceutical;
prosthetic group |
| desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion | antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist |
| trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| mepenzolate bromide | [no description available] | medium | 1 | 0 | diarylmethane | |
| pantothenic acid | [no description available] | medium | 1 | 0 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
| sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound;
pyridazines;
sulfonamide | antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
| dimethisoquin | [no description available] | medium | 1 | 0 | isoquinolines | |
| synephrine | [no description available] | medium | 1 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| benzonatate | [no description available] | medium | 1 | 0 | benzoate ester;
secondary amino compound;
substituted aniline | anaesthetic;
antitussive |
| phenformin | [no description available] | medium | 1 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester;
monochlorobenzenes | central nervous system depressant;
local anaesthetic;
peripheral nervous system drug |
| yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
| fluorometholone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
| dimenhydrinate | [no description available] | medium | 1 | 0 | diarylmethane | |
| 4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| trimetozine | [no description available] | medium | 1 | 0 | morpholines | |
| docosanol | [no description available] | medium | 1 | 0 | docosanol;
long-chain primary fatty alcohol | antiviral drug;
plant metabolite |
| tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| flurandrenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| amiloride | [no description available] | medium | 1 | 0 | aromatic amine;
guanidines;
organochlorine compound;
pyrazines | diuretic;
sodium channel blocker |
| flumethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| sulfadoxine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide | antibacterial drug;
antimalarial |
| dicloxacillin | [no description available] | medium | 1 | 0 | dichlorobenzene;
penicillin | antibacterial drug |
| tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
| beclomethasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug |
| (1S,2R)-tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
| parbendazole | [no description available] | medium | 1 | 0 | benzimidazoles;
carbamate ester | |
| levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| fenclozic acid | [no description available] | medium | 1 | 0 | | |
| capobenic acid | [no description available] | medium | 1 | 0 | benzamides | |
| diftalone | [no description available] | medium | 1 | 0 | | |
| carbimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones;
carbamate ester | antithyroid drug;
prodrug |
| rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
| indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
| carbidopa | [no description available] | medium | 1 | 0 | catechols;
hydrazines;
monocarboxylic acid | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| dobutamine | [no description available] | medium | 1 | 0 | catecholamine;
secondary amine | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| piperacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| indalpine | [no description available] | medium | 1 | 0 | indoles | |
| lidamidine | [no description available] | medium | 1 | 0 | ureas | |
| talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
| nedocromil | [no description available] | medium | 1 | 0 | dicarboxylic acid;
organic heterotricyclic compound | anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug |
| dazoxiben | [no description available] | medium | 1 | 0 | | |
| remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| dopexamine | [no description available] | medium | 1 | 0 | catecholamine | |
| lonapalene | [no description available] | medium | 1 | 0 | naphthalenes;
organochlorine compound | |
| ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| sematilide | [no description available] | medium | 1 | 0 | | |
| remacemide | [no description available] | medium | 1 | 0 | stilbenoid | |
| paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
| proxicromil | [no description available] | medium | 1 | 0 | | |
| torbafylline | [no description available] | medium | 1 | 0 | | |
| enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| mepindolol | [no description available] | medium | 1 | 0 | indoles | |
| fpl 52791 | [no description available] | medium | 1 | 0 | | |
| epanolol | [no description available] | medium | 1 | 0 | acetamides | |
| methotrimeprazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| nicotine | [no description available] | medium | 2 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
| levcromakalim | [no description available] | medium | 1 | 0 | 1-benzopyran | |
| hexylcaine hydrochloride | [no description available] | medium | 1 | 0 | | |
| imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
carbapenems;
zwitterion | antibacterial drug |
| sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
| sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine;
pivalate ester | |
| fpl-52694 | [no description available] | medium | 1 | 0 | | |
| ramatroban | [no description available] | medium | 1 | 0 | organic molecular entity | |
| xaliproden | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine | serotonergic agonist |
| n-isobutyrylcysteine | [no description available] | medium | 1 | 0 | | |
| dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin |
| quilostigmine | [no description available] | medium | 1 | 0 | pyrroloindole | |
| imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
| aspartame | [no description available] | medium | 1 | 0 | carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester | apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic |
| tempol | [no description available] | medium | 1 | 0 | aminoxyls;
hydroxypiperidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger |
| vatalanib | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
| hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| lactitol | [no description available] | medium | 1 | 0 | glycosyl alditol | cathartic;
excipient;
laxative |
| fpl 52757 | [no description available] | medium | 1 | 0 | | |
| paromomycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside;
aminoglycoside antibiotic | anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| fpl 59257 | [no description available] | medium | 1 | 0 | | |
| atropine | [no description available] | medium | 17 | 0 | | |
| ropivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide;
ropivacaine | local anaesthetic |
| erlotinib | [no description available] | medium | 1 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| zeneca zd 6169 | [no description available] | medium | 1 | 0 | | |
| sibenadet | [no description available] | medium | 1 | 0 | | |
| latrepirdine | [no description available] | medium | 1 | 0 | methylpyridines;
pyridoindole | geroprotector |
| ramelteon | [no description available] | medium | 1 | 0 | indanes | |
| sorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
| cortisone | [no description available] | medium | 1 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | |
| ouabain | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone | anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite |
| salicin | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
aryl beta-D-glucoside;
benzyl alcohols | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| (S)-bicalutamide | [no description available] | medium | 1 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | |
| devazepide | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
| halcinonide | [no description available] | medium | 1 | 0 | organic molecular entity | SMO receptor agonist |
| metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
| chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
| etomidate | [no description available] | medium | 1 | 0 | ethyl ester;
imidazoles | intravenous anaesthetic;
sedative |
| methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
| crotamiton | [no description available] | medium | 1 | 0 | | |
| flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
| ethionamide | [no description available] | medium | 1 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| scopolamine | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid | |
| ranitidine | [no description available] | medium | 3 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| ranitidine | [no description available] | medium | 3 | 1 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| almokalant | [no description available] | medium | 1 | 0 | | |
| vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| deracoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| 2-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | |
| rs-130830 | [no description available] | medium | 1 | 0 | | |
| sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
| dinoprostone | [no description available] | medium | 2 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
| beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| triprolidine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine;
olefinic compound;
pyridines | H1-receptor antagonist |
| homatropine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| levetiracetam | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | anticonvulsant;
environmental contaminant;
xenobiotic |
| ar c67085mx | [no description available] | medium | 1 | 0 | | |
| desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| sb 223412 | [no description available] | medium | 1 | 0 | | |
| su 11248 | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
pyrroles | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist |
| cefixime | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| zimeldine | [no description available] | medium | 1 | 0 | styrenes | |
| enalaprilat anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| tiotropium | [no description available] | medium | 1 | 0 | | |
| guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| nw 1029 | [no description available] | medium | 1 | 0 | | |
| ici d1542 | [no description available] | medium | 1 | 0 | | |
| gavestinel | [no description available] | medium | 1 | 0 | | |
| dantrolene | [no description available] | medium | 1 | 0 | | |
| tipredane | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
| bentiromide | [no description available] | medium | 1 | 0 | dipeptide | diagnostic agent;
indicator;
reagent |
| utibapril | [no description available] | medium | 1 | 0 | | |
| zd 9379 | [no description available] | medium | 1 | 0 | | |
| ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
| cangrelor | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound | P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| sch 527123 | [no description available] | medium | 1 | 0 | | |
| linaprazan | [no description available] | medium | 1 | 0 | | |
| lecozotan | [no description available] | medium | 1 | 0 | | |
| ar c155858 | [no description available] | medium | 1 | 0 | | |
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | medium | 1 | 0 | methoxybenzenes;
substituted aniline | |
| scopolamine hydrobromide | [no description available] | medium | 6 | 0 | | |
| azd 7545 | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent |
| clavulanate potassium | [no description available] | medium | 1 | 0 | potassium salt | antibacterial drug;
antimicrobial agent;
EC 3.5.2.6 (beta-lactamase) inhibitor |
| cytomel | [no description available] | medium | 1 | 0 | organic sodium salt | |
| a 967079 | [no description available] | medium | 1 | 0 | | |
| pht 427 | [no description available] | medium | 1 | 0 | | |
| dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| olanzapine | [no description available] | medium | 1 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor |
| leucovorin | [no description available] | medium | 1 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite |
| carbadox | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| fenobam | [no description available] | medium | 1 | 0 | ureas | |
| afdx 116 | [no description available] | medium | 12 | 0 | benzodiazepine | |
| carbachol | [no description available] | medium | 7 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| piperidines | [no description available] | medium | 12 | 0 | | |
| 4-diphenylacetoxy-1,1-dimethylpiperidinium | [no description available] | medium | 7 | 0 | quaternary ammonium ion | cholinergic antagonist;
muscarinic antagonist |
| amphetamine | [no description available] | medium | 2 | 0 | primary amine | |
| tetradecanoylphorbol acetate | [no description available] | medium | 2 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| mecamylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | |
| rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent |
| xanomeline | [no description available] | medium | 1 | 0 | tetrahydropyridine;
thiadiazoles | muscarinic agonist;
serotonergic agonist |
| norclozapine | [no description available] | medium | 2 | 0 | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist |
| sabcomeline | [no description available] | medium | 1 | 0 | quinuclidines | |
| quinuclidines | [no description available] | medium | 1 | 0 | quinuclidines;
saturated organic heterobicyclic parent | |
| ac 260584 | [no description available] | medium | 1 | 0 | | |
| cholecystokinin | [no description available] | medium | 4 | 1 | | |
| galantamine | [no description available] | medium | 2 | 0 | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite |
| oxotremorine | [no description available] | medium | 8 | 0 | N-alkylpyrrolidine | |
| sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
| carbocyanines | [no description available] | medium | 3 | 0 | cyanine dye;
organic iodide salt | fluorochrome |
| bombesin (6-13), phe(6) methyl ester- | [no description available] | medium | 1 | 0 | | |
| (4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 6 | 0 | | |
| gastrin-releasing peptide | [no description available] | medium | 1 | 0 | | |
| neuromedin c | [no description available] | medium | 1 | 0 | | |
| trk 820 | [no description available] | medium | 1 | 0 | phenanthrenes | |
| rc 3095 | [no description available] | medium | 1 | 0 | | |
| morphinans | [no description available] | medium | 1 | 0 | isoquinoline alkaloid fundamental parent;
morphinane alkaloid | |
| glycopyrrolate | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | |
| parathion | [no description available] | medium | 1 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
| pralidoxime | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator |
| emetine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid;
organic cation | antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| oxotremorine m | [no description available] | medium | 2 | 0 | quaternary ammonium ion | muscarinic agonist |
| methoctramine | [no description available] | medium | 8 | 0 | hydrochloride | muscarinic antagonist |
| cyanine dye 3 | [no description available] | medium | 1 | 0 | | |
| neurokinin a | [no description available] | medium | 1 | 0 | | |
| substance p | [no description available] | medium | 1 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
| cocaine | [no description available] | medium | 2 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| trihexyphenidyl | [no description available] | medium | 2 | 0 | amine | |
| pd 98059 | [no description available] | medium | 1 | 0 | aromatic amine;
monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
| tiotropium bromide | [no description available] | medium | 1 | 0 | | |
| bay 11-7082 | [no description available] | medium | 1 | 0 | nitrile;
sulfone | apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
| interleukin-8 | [no description available] | medium | 1 | 0 | | |
| tryptophan | [no description available] | medium | 6 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| hydrogen carbonate | [no description available] | medium | 2 | 0 | carbon oxoanion | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 4-fluorohexahydrosiladifenidol | [no description available] | medium | 3 | 0 | | |
| hexahydrosiladifenidol | [no description available] | medium | 3 | 0 | | |
| norcocaine | [no description available] | medium | 1 | 0 | benzoate ester | |
| cocaethylene | [no description available] | medium | 1 | 0 | benzoate ester | |
| benzoylecgonine | [no description available] | medium | 1 | 0 | benzoate ester;
tropane alkaloid | epitope;
human xenobiotic metabolite;
marine xenobiotic metabolite;
plant metabolite |
| loxiglumide | [no description available] | medium | 2 | 0 | organic molecular entity | |
| proglumide | [no description available] | medium | 2 | 0 | benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate | anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite |
| ceruletide | [no description available] | medium | 3 | 2 | oligopeptide | diagnostic agent;
gastrointestinal drug |
| fluorescein dilaurate | [no description available] | medium | 1 | 1 | | |
| erythrosine | [no description available] | medium | 1 | 1 | | |
| himbacine | [no description available] | medium | 3 | 0 | gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid | muscarinic antagonist |
| tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen;
muscle relaxant;
nicotinic antagonist |
| alpha-chymotrypsin | [no description available] | medium | 1 | 1 | | |
| 1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 1 | aminonaphthalene;
naphthalenesulfonic acid | fluorescent probe |
| motilin | [no description available] | medium | 1 | 1 | | |
| bilirubin | [no description available] | medium | 1 | 1 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| methylatropine | [no description available] | medium | 1 | 0 | | |
| hexocyclium | [no description available] | medium | 1 | 0 | amine | |
| sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
| deoxyglucose | [no description available] | medium | 1 | 0 | | |
| afdx 384 | [no description available] | medium | 2 | 0 | | |
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| fluorodeoxyuridylate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | |
| gastrins | [no description available] | medium | 1 | 0 | | |
| disulfoton | [no description available] | medium | 1 | 0 | organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| n-methylscopolamine | [no description available] | medium | 4 | 0 | | |
| isothiocyanic acid | [no description available] | medium | 1 | 0 | hydracid;
one-carbon compound | |
| muscarine | [no description available] | medium | 4 | 0 | monosaccharide | |
| omeprazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| p-methoxy-n-methylphenethylamine | [no description available] | medium | 2 | 0 | aromatic ether;
secondary amino compound | metabolite |
| btm 1042 | [no description available] | medium | 1 | 0 | | |
| choline | [no description available] | medium | 1 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| metacine | [no description available] | medium | 1 | 0 | | |
| tetrodotoxin | [no description available] | medium | 1 | 0 | azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid | animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker |
| pentagastrin | [no description available] | medium | 2 | 0 | organic molecular entity | |
| prenylamine | [no description available] | medium | 1 | 0 | diarylmethane | |
| phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| aminopyrine | [no description available] | medium | 1 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| chlordiazepoxide | [no description available] | low | 0 | 0 | benzodiazepine | |
| gyki 52466 | [no description available] | low | 0 | 0 | benzodiazepine | |
| lorazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| cm 7116 | [no description available] | low | 0 | 0 | benzodiazepine | |
| prazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| sch 16134 | [no description available] | low | 0 | 0 | benzodiazepine | |
| temazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| chlordesmethyldiazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| tetrazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| ketazolam | [no description available] | low | 0 | 0 | benzodiazepine | |
| doxefazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| pinazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| metaclazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-aminonitrazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| n-desmethylclobazam | [no description available] | low | 0 | 0 | benzodiazepine | |
| ro 20-1815 | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-acetamidonitrazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| tifluadom | [no description available] | low | 0 | 0 | benzodiazepine | |
| afdx 384 | [no description available] | low | 0 | 0 | benzodiazepine | |
| aq-ra 741 | [no description available] | low | 0 | 0 | benzodiazepine | |
| auranthine | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-aminoclonazepam | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4,7,8-Trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| 2,4-bis(4-methoxyphenyl)-4-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepine | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7,8-dimethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-phenyl-3H-1,5-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| l 364373 | [no description available] | low | 0 | 0 | benzodiazepine | |
| cycloanthranilylproline | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4-(2-hydroxyphenyl)-8,9-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| 2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-amine | [no description available] | low | 0 | 0 | benzodiazepine | |
| N-[3-(4-chlorophenyl)-2-methyl-3H-1,5-benzodiazepin-4-yl]benzamide | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4-methyl-1-piperazinecarbodithioic acid [2-[(2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl)amino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzodiazepine | |
| 2-ethyl-4-[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4-[(2-chloro-6-fluorophenyl)-oxomethyl]-7-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| 7-chloro-4-[(2-fluorophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| cfm 2 | [no description available] | low | 0 | 0 | benzodiazepine | |
| 4,8-dimethyl-1-(phenylmethyl)-3H-1,5-benzodiazepin-2-one | [no description available] | low | 0 | 0 | benzodiazepine | |
| gv 150013x | [no description available] | low | 0 | 0 | benzodiazepine | |
| l 365260 | [no description available] | low | 0 | 0 | benzodiazepine | |
| aszonalenin | [no description available] | low | 0 | 0 | benzodiazepine;
zwitterion | |
| gsk525762a | [no description available] | low | 0 | 0 | benzodiazepine | |
| flumezapine | [no description available] | low | 0 | 0 | benzodiazepine | |
| ro 24-7429 | [no description available] | low | 0 | 0 | benzodiazepine | |
| desmethylolanzapine | [no description available] | low | 0 | 0 | benzodiazepine | |