Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
ethosuximide | [no description available] | high | 76 | 1 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethosuximide | [no description available] | high | 76 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
phenytoin sodium | [no description available] | medium | 1 | 0 | | |
phenytoin | [no description available] | high | 145 | 1 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
phenytoin | [no description available] | high | 145 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
carbamazepine | [no description available] | high | 42 | 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 |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid | human metabolite |
pipecolic acid | [no description available] | medium | 1 | 0 | piperidinemonocarboxylic acid | |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
salophen | [no description available] | medium | 1 | 0 | carbonyl compound | |
Acetylpheneturide | [no description available] | medium | 1 | 0 | organic molecular entity | |
albendazole | [no description available] | medium | 6 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
4-amino-3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid | |
amlexanox | [no description available] | medium | 2 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amlodipine | [no description available] | medium | 6 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
arotinolol | [no description available] | medium | 1 | 0 | aromatic amide; thiophenes | |
atenolol | [no description available] | medium | 8 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
biperiden | [no description available] | medium | 2 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bupivacaine | [no description available] | medium | 5 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
verapamil | [no description available] | medium | 6 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
cannabinol | [no description available] | medium | 1 | 0 | dibenzopyran | |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
clobazam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator |
clonazepam | [no description available] | high | 11 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
cycloleucine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
cyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
dimethadione | [no description available] | high | 55 | 0 | oxazolidinone | |
valproic acid | [no description available] | high | 43 | 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 |
ethotoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant |
felbamate | [no description available] | medium | 6 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
felodipine | [no description available] | medium | 6 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
gabapentin | [no description available] | high | 7 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glutethimide | [no description available] | medium | 10 | 0 | piperidines | |
guvacine | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine | GABA reuptake inhibitor; plant metabolite |
ifosfamide | [no description available] | medium | 7 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
iproniazid | [no description available] | medium | 8 | 0 | carbohydrazide; pyridines | |
lamotrigine | [no description available] | high | 5 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
mephenytoin | [no description available] | high | 9 | 0 | imidazolidine-2,4-dione | anticonvulsant |
metharbital | [no description available] | medium | 1 | 0 | organic molecular entity | |
moclobemide | [no description available] | medium | 2 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
acecainide | [no description available] | medium | 1 | 0 | acetamides; benzamides | anti-arrhythmia drug |
deoxyepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
nicardipine | [no description available] | medium | 4 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | medium | 8 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nimetazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
nimodipine | [no description available] | medium | 9 | 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 |
nipecotic acid | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
nisoldipine | [no description available] | medium | 6 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrazepam | [no description available] | high | 8 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 5 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
phenacemide | [no description available] | medium | 3 | 0 | acetamides | |
phenobarbital | [no description available] | high | 110 | 1 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenobarbital | [no description available] | high | 110 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
primidone | [no description available] | high | 39 | 1 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
primidone | [no description available] | high | 39 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
riluzole | [no description available] | medium | 6 | 0 | benzothiazoles | |
sulfanilamide | [no description available] | medium | 5 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulthiame | [no description available] | medium | 1 | 0 | organic molecular entity | |
vigabatrin | [no description available] | high | 4 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
zonisamide | [no description available] | medium | 2 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
prednisolone | [no description available] | medium | 3 | 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 |
carbachol | [no description available] | medium | 3 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
desoxycorticosterone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
physostigmine | [no description available] | medium | 7 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ampicillin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
phencyclidine | [no description available] | medium | 3 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
caramiphen | [no description available] | medium | 1 | 0 | benzenes | |
methsuximide | [no description available] | medium | 6 | 0 | organic molecular entity | |
phthalimide | [no description available] | medium | 1 | 0 | phthalimides | |
phensuximide | [no description available] | medium | 4 | 0 | pyrrolidines | |
amido-g-acid | [no description available] | medium | 1 | 0 | | |
cyclopentamine | [no description available] | medium | 1 | 0 | secondary amino compound | |
caprolactam | [no description available] | medium | 1 | 0 | caprolactams | human blood serum metabolite |
mephobarbital | [no description available] | high | 13 | 0 | barbiturates | anticonvulsant |
paramethadione | [no description available] | high | 7 | 0 | oxazolidinone | anticonvulsant |
cyclopentanone | [no description available] | medium | 1 | 0 | cyclopentanones | Maillard reaction product |
benactyzine | [no description available] | medium | 1 | 0 | diarylmethane | |
phetharbital | [no description available] | medium | 1 | 0 | barbiturates | |
prenylamine | [no description available] | medium | 2 | 0 | diarylmethane | |
beclamide | [no description available] | medium | 1 | 0 | benzenes | |
chlormethiazole | [no description available] | medium | 2 | 0 | thiazoles | |
glybuthiazol | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
pronarcon | [no description available] | medium | 1 | 0 | barbiturates | |
improsan | [no description available] | medium | 2 | 0 | organosulfonic ester | |
iproclozide | [no description available] | medium | 2 | 0 | aromatic ether | |
aminopentamide | [no description available] | medium | 1 | 0 | diarylmethane | |
benomyl | [no description available] | medium | 1 | 0 | aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator |
alclofenac | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
carticaine | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
amoscanate | [no description available] | medium | 1 | 0 | C-nitro compound; isothiocyanate; secondary amino compound | schistosomicide drug |
amoxicillin | [no description available] | medium | 8 | 0 | penicillin allergen; penicillin | antibacterial drug |
eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
adinazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | anticonvulsant; antidepressant; anxiolytic drug; sedative |
diltiazem | [no description available] | medium | 7 | 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 |
progabide | [no description available] | medium | 1 | 0 | diarylmethane | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
acifran | [no description available] | medium | 1 | 0 | | |
tiagabine | [no description available] | medium | 3 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
adenosine | [no description available] | medium | 7 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
d-lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
heptenophos | [no description available] | medium | 1 | 0 | organochlorine compound; organophosphate insecticide; trialkyl phosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
g 29505 | [no description available] | medium | 1 | 0 | methoxybenzenes | |
acefylline | [no description available] | medium | 1 | 0 | oxopurine | |
dipropylacetamide | [no description available] | medium | 3 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
aceclofenac | [no description available] | medium | 3 | 0 | amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
amphotalide | [no description available] | medium | 1 | 0 | phthalimides | |
fluoresone | [no description available] | medium | 1 | 0 | sulfonamide | |
alacepril | [no description available] | medium | 1 | 0 | dipeptide; thioacetate ester | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
agroclavine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
n-(hydroxymethyl)nicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
proline | [no description available] | medium | 1 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
camphora | [no description available] | medium | 1 | 0 | camphor | |
tevenel | [no description available] | medium | 2 | 0 | sulfonamide | |
fluoracizine | [no description available] | medium | 1 | 0 | phenothiazines | |
ritonavir | [no description available] | medium | 6 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
cannabidiol | [no description available] | medium | 2 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
cinromide | [no description available] | medium | 1 | 0 | cinnamamides; secondary carboxamide | |
flunarizine | [no description available] | medium | 2 | 0 | diarylmethane | |
benztropine | [no description available] | medium | 4 | 0 | diarylmethane | |
albutoin | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
adrafinil | [no description available] | medium | 1 | 0 | diarylmethane | |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
gemeprost | [no description available] | medium | 1 | 0 | aliphatic alcohol | |
topiramate | [no description available] | medium | 5 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
furazolidone | [no description available] | medium | 4 | 0 | | |
zr-512 | [no description available] | medium | 1 | 0 | ethyl ester; farnesane sesquiterpenoid | juvenile hormone mimic |
nidroxyzone | [no description available] | medium | 1 | 0 | C-nitro compound; furans | |
azimilide | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
scopolamine hydrobromide | [no description available] | medium | 5 | 0 | | |
imidacloprid | [no description available] | medium | 1 | 0 | imidacloprid; imidazolidines; monochloropyridine | environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic |
coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
1-aminocyclopropane-1-carboxylic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid | ethylene releasers; plant metabolite |
antipyrine | [no description available] | medium | 16 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
antipyrine | [no description available] | medium | 16 | 1 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
caffeine | [no description available] | high | 16 | 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 |
ciprofloxacin | [no description available] | medium | 4 | 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 |
citalopram | [no description available] | medium | 7 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
diclofenac | [no description available] | medium | 8 | 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 |
disopyramide | [no description available] | medium | 6 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
fentanyl | [no description available] | medium | 4 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fleroxacin | [no description available] | medium | 1 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
furosemide | [no description available] | medium | 9 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
lidocaine | [no description available] | medium | 12 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
indomethacin | [no description available] | medium | 8 | 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 |
ketorolac | [no description available] | medium | 3 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
meperidine | [no description available] | medium | 3 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
metoprolol | [no description available] | medium | 5 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
propranolol | [no description available] | medium | 9 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
troglitazone | [no description available] | medium | 6 | 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 |
prednisone | [no description available] | medium | 7 | 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 |
vincristine | [no description available] | medium | 5 | 0 | acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
ethinyl estradiol | [no description available] | medium | 5 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
levodopa | [no description available] | medium | 6 | 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 |
isosorbide dinitrate | [no description available] | medium | 6 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
erythromycin | [no description available] | medium | 11 | 0 | cyclic ketone; erythromycin | |
vinblastine | [no description available] | medium | 4 | 0 | | |
isosorbide-5-mononitrate | [no description available] | medium | 5 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
cefazolin | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
zidovudine | [no description available] | medium | 8 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
cefmetazole | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
captopril | [no description available] | medium | 10 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
cefoperazone | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug |
alfentanil | [no description available] | medium | 6 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
cefotetan | [no description available] | medium | 7 | 0 | | |
recainam | [no description available] | medium | 1 | 0 | | |
amifloxacin | [no description available] | medium | 1 | 0 | quinolines | |
tebufelone | [no description available] | medium | 1 | 0 | | |
lamivudine | [no description available] | medium | 7 | 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 |
irinotecan | [no description available] | medium | 4 | 0 | carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
tiludronic acid | [no description available] | medium | 2 | 0 | organochlorine compound | |
trovafloxacin | [no description available] | medium | 5 | 0 | | |
ritipenem | [no description available] | medium | 1 | 0 | | |
flomoxef | [no description available] | medium | 1 | 0 | N-acyl-amino acid; organonitrogen heterocyclic antibiotic; oxacephem | antibacterial drug |
inogatran | [no description available] | medium | 1 | 0 | | |
ljc 10627 | [no description available] | medium | 1 | 0 | carbapenems; organic sulfide; pyrazolotriazole | antibacterial drug |
betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
panipenem | [no description available] | medium | 1 | 0 | organic molecular entity | |
sch 34343 | [no description available] | medium | 1 | 0 | | |
flunisolide | [no description available] | medium | 2 | 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 |
nicotine | [no description available] | medium | 5 | 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 |
methotrexate | [no description available] | medium | 7 | 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 |
moxifloxacin | [no description available] | medium | 3 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
naproxen | [no description available] | medium | 7 | 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 |
acivicin | [no description available] | medium | 3 | 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 |
quinidine | [no description available] | medium | 9 | 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 |
meropenem | [no description available] | medium | 4 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
moxalactam disodium | [no description available] | medium | 3 | 0 | | |
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 |
tiazofurin | [no description available] | medium | 3 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
cefpiramide | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
ifetroban | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
lamifiban | [no description available] | medium | 1 | 0 | N-acylglycine | |
susalimod | [no description available] | medium | 1 | 0 | | |
amphotericin b | [no description available] | medium | 9 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
l 660,711 | [no description available] | medium | 1 | 0 | quinolines | |
morphine | [no description available] | high | 10 | 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 |
iloprost | [no description available] | medium | 2 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 5 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
naltrexone | [no description available] | medium | 6 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
cefodizime | [no description available] | medium | 1 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor |
ceftriaxone | [no description available] | medium | 6 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
cefepime | [no description available] | medium | 3 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
aztreonam | [no description available] | medium | 6 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
ro 42-5892 | [no description available] | medium | 1 | 0 | cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone | antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent |
gavestinel | [no description available] | medium | 1 | 0 | | |
ceftizoxime | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug |
cefclidin | [no description available] | medium | 1 | 0 | cephalosporin; thiadiazoles | |
napsagatran | [no description available] | medium | 1 | 0 | | |
cefozopran | [no description available] | medium | 1 | 0 | cephalosporin; imidazopyridazine; thiadiazoles | |
moxestrol | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | |
warfarin | [no description available] | medium | 11 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
sudoxicam | [no description available] | medium | 2 | 0 | | |
acyclovir | [no description available] | medium | 5 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
didanosine | [no description available] | medium | 6 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
pelrinone | [no description available] | medium | 1 | 0 | | |
bupropion | [no description available] | medium | 3 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
aminocaproic acid | [no description available] | medium | 7 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
tacrine | [no description available] | medium | 3 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acebutolol | [no description available] | medium | 5 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acetaminophen | [no description available] | medium | 8 | 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 |
acetohydroxamic acid | [no description available] | medium | 4 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albuterol | [no description available] | medium | 5 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alendronate | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
alprazolam | [no description available] | medium | 3 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
altretamine | [no description available] | medium | 3 | 0 | triamino-1,3,5-triazine | |
amantadine | [no description available] | medium | 5 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amifostine anhydrous | [no description available] | medium | 2 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
aminoglutethimide | [no description available] | high | 8 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
theophylline | [no description available] | medium | 8 | 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 | 7 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 5 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amoxapine | [no description available] | medium | 4 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
anastrozole | [no description available] | medium | 3 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
aspirin | [no description available] | high | 8 | 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 |
astemizole | [no description available] | medium | 3 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
azathioprine | [no description available] | medium | 7 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
baclofen | [no description available] | medium | 3 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
bepridil | [no description available] | medium | 3 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
betaxolol | [no description available] | medium | 4 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bicalutamide | [no description available] | medium | 5 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bisoprolol | [no description available] | medium | 5 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
bumetanide | [no description available] | medium | 7 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
buspirone | [no description available] | medium | 6 | 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 |
busulfan | [no description available] | medium | 7 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
butenafine | [no description available] | medium | 1 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
carmustine | [no description available] | medium | 5 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
carteolol | [no description available] | medium | 3 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carvedilol | [no description available] | medium | 3 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
cetirizine | [no description available] | medium | 3 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlormezanone | [no description available] | medium | 4 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
ciclopirox | [no description available] | medium | 3 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
cinoxacin | [no description available] | medium | 2 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
cisapride | [no description available] | medium | 4 | 0 | benzamides | |
clofazimine | [no description available] | medium | 3 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clomipramine | [no description available] | medium | 6 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clonidine | [no description available] | medium | 5 | 0 | clonidine; imidazoline | |
chlorazepate | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
cyclobenzaprine | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
diazepam | [no description available] | high | 52 | 1 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazepam | [no description available] | high | 52 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diflunisal | [no description available] | medium | 7 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dipivefrin | [no description available] | medium | 1 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
disulfiram | [no description available] | medium | 6 | 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 |
doxazosin | [no description available] | medium | 2 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
doxepin | [no description available] | medium | 3 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
droperidol | [no description available] | medium | 3 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
econazole | [no description available] | medium | 2 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 2 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
enoxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
estazolam | [no description available] | medium | 3 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
etidronate | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
etodolac | [no description available] | medium | 3 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
brl 42810 | [no description available] | medium | 4 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
fenfluramine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
fexofenadine | [no description available] | medium | 4 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
flecainide | [no description available] | medium | 6 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fluconazole | [no description available] | medium | 5 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flucytosine | [no description available] | medium | 7 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
fluphenazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
flumazenil | [no description available] | medium | 5 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
fluorouracil | [no description available] | medium | 7 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
fluphenazine depot | [no description available] | medium | 2 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
fluphenazine enanthate | [no description available] | medium | 2 | 0 | phenothiazines | |
flurbiprofen | [no description available] | medium | 6 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flutamide | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
foscarnet | [no description available] | medium | 4 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gemfibrozil | [no description available] | medium | 7 | 0 | aromatic ether | antilipemic drug |
glimepiride | [no description available] | medium | 4 | 0 | sulfonamide | |
glipizide | [no description available] | medium | 2 | 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 | 4 | 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 | 2 | 0 | aromatic amide; indazoles | |
guanfacine | [no description available] | medium | 2 | 0 | acetamides | |
haloperidol | [no description available] | medium | 6 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
halothane | [no description available] | medium | 3 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydrochlorothiazide | [no description available] | medium | 7 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydroxyurea | [no description available] | medium | 7 | 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 |
hydroxyzine | [no description available] | medium | 5 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
ibuprofen | [no description available] | high | 8 | 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 | 7 | 0 | primary amine | |
amrinone | [no description available] | medium | 8 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indapamide | [no description available] | medium | 5 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iodixanol | [no description available] | medium | 1 | 0 | organoiodine compound | radioopaque medium |
iohexol | [no description available] | medium | 2 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iopromide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
ioversol | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
isoflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
isoniazid | [no description available] | medium | 9 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isradipine | [no description available] | medium | 3 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
itraconazole | [no description available] | medium | 3 | 0 | piperazines | |
ketoconazole | [no description available] | medium | 7 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 6 | 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 |
labetalol | [no description available] | medium | 8 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lansoprazole | [no description available] | medium | 4 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lomefloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loratadine | [no description available] | medium | 3 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
losartan | [no description available] | medium | 5 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
loxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
maprotiline | [no description available] | medium | 6 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 5 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meclofenamic acid | [no description available] | medium | 2 | 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 |
mefenamic acid | [no description available] | medium | 5 | 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 |
mefloquine hydrochloride | [no description available] | medium | 2 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
mesalamine | [no description available] | medium | 3 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
metformin | [no description available] | medium | 6 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metoclopramide | [no description available] | medium | 5 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 9 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mexiletine | [no description available] | medium | 4 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
midazolam | [no description available] | high | 5 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
midodrine | [no description available] | medium | 2 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
minoxidil | [no description available] | medium | 5 | 0 | dialkylarylamine; tertiary amino compound | |
mirtazapine | [no description available] | medium | 3 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
mitoxantrone | [no description available] | medium | 4 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
nabumetone | [no description available] | medium | 4 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nefazodone | [no description available] | medium | 6 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nevirapine | [no description available] | medium | 3 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nilutamide | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nizatidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
masoprocol | [no description available] | medium | 2 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
norfloxacin | [no description available] | medium | 4 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
nortriptyline | [no description available] | medium | 5 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
ofloxacin | [no description available] | medium | 3 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
omeprazole | [no description available] | medium | 5 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 3 | 0 | carbazoles | |
oxaprozin | [no description available] | medium | 5 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
pamidronate | [no description available] | medium | 5 | 0 | phosphonoacetic acid | |
pemoline | [no description available] | medium | 6 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentamidine | [no description available] | medium | 4 | 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 |
pentoxifylline | [no description available] | medium | 4 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 6 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
pindolol | [no description available] | medium | 5 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirbuterol | [no description available] | medium | 1 | 0 | pyridines | |
prazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
praziquantel | [no description available] | medium | 5 | 0 | isoquinolines | |
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 |
probenecid | [no description available] | medium | 7 | 0 | benzoic acids; sulfonamide | uricosuric drug |
procainamide | [no description available] | medium | 7 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
procarbazine | [no description available] | medium | 5 | 0 | benzamides; hydrazines | antineoplastic agent |
propafenone | [no description available] | medium | 2 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propofol | [no description available] | high | 7 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
sch 16134 | [no description available] | medium | 2 | 0 | benzodiazepine | |
ranitidine | [no description available] | medium | 6 | 0 | aralkylamine | |
rimantadine | [no description available] | medium | 2 | 0 | alkylamine | |
risperidone | [no description available] | medium | 5 | 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 |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
sevoflurane | [no description available] | medium | 2 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sulfadiazine | [no description available] | medium | 5 | 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 |
sotalol | [no description available] | medium | 4 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sulconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
sulfasalazine | [no description available] | medium | 6 | 0 | | |
sumatriptan | [no description available] | medium | 5 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
suprofen | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
temazepam | [no description available] | medium | 4 | 0 | benzodiazepine | |
terazosin | [no description available] | medium | 3 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terfenadine | [no description available] | medium | 5 | 0 | diarylmethane | |
thioridazine | [no description available] | medium | 6 | 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 | 4 | 0 | aziridines | |
ticlopidine | [no description available] | medium | 7 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tioconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles; thiophenes | |
tiopronin | [no description available] | medium | 4 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 4 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
ultram | [no description available] | medium | 4 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trazodone | [no description available] | medium | 3 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triazolam | [no description available] | medium | 3 | 0 | triazolobenzodiazepine | sedative |
trientine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | copper chelator |
trifluoperazine | [no description available] | medium | 5 | 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 |
trimetrexate | [no description available] | medium | 3 | 0 | | |
trimipramine | [no description available] | medium | 3 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
venlafaxine | [no description available] | medium | 4 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
ici 204,219 | [no description available] | medium | 5 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 5 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
zomepirac | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
floxuridine | [no description available] | medium | 6 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
spironolactone | [no description available] | medium | 5 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
penicillamine | [no description available] | medium | 6 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
pilocarpine | [no description available] | medium | 9 | 0 | pilocarpine | antiglaucoma drug |
testosterone propionate | [no description available] | medium | 2 | 0 | steroid ester | |
bretylium tosylate | [no description available] | medium | 2 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
cytarabine | [no description available] | medium | 6 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
trifluridine | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
medroxyprogesterone acetate | [no description available] | medium | 4 | 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 | 4 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methylprednisolone | [no description available] | medium | 5 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
estradiol dipropionate | [no description available] | medium | 2 | 0 | steroid ester | |
nafcillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
methohexital | [no description available] | medium | 2 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
testosterone enanthate | [no description available] | medium | 2 | 0 | heptanoate ester; sterol ester | androgen |
betamethasone | [no description available] | medium | 6 | 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 |
chenodeoxycholic acid | [no description available] | medium | 5 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
levocarnitine | [no description available] | medium | 3 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
megestrol acetate | [no description available] | medium | 4 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
acetylcysteine | [no description available] | medium | 5 | 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 |
levonorgestrel | [no description available] | medium | 2 | 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 | 2 | 0 | steroid ester | |
ethambutol | [no description available] | medium | 3 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 4 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
pimozide | [no description available] | medium | 5 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
betamethasone valerate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
methylprednisolone hemisuccinate | [no description available] | medium | 1 | 0 | corticosteroid hormone; hemisuccinate | |
stavudine | [no description available] | medium | 5 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
cladribine | [no description available] | medium | 5 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
beclomethasone | [no description available] | medium | 3 | 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 |
estradiol enanthate | [no description available] | medium | 1 | 0 | steroid ester | |
betamethasone-17,21-dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic |
olsalazine | [no description available] | medium | 3 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
zalcitabine | [no description available] | medium | 5 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
selegiline | [no description available] | medium | 5 | 0 | selegiline; terminal acetylenic compound | geroprotector |
levamisole | [no description available] | medium | 4 | 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 |
cephalexin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
danazol | [no description available] | medium | 7 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
daunorubicin | [no description available] | medium | 5 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
cephapirin | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
bromocriptine | [no description available] | medium | 5 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
ursodeoxycholic acid | [no description available] | medium | 5 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
halazepam | [no description available] | medium | 3 | 0 | organic molecular entity | |
du-21220 | [no description available] | medium | 1 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
timolol | [no description available] | medium | 5 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
moricizine | [no description available] | medium | 3 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
bitolterol | [no description available] | medium | 1 | 0 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
tobramycin | [no description available] | medium | 6 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
paclitaxel | [no description available] | medium | 6 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | medium | 8 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
dobutamine | [no description available] | medium | 4 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
penbutolol | [no description available] | medium | 2 | 0 | ethanolamines | |
ribavirin | [no description available] | medium | 6 | 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 |
guanadrel | [no description available] | medium | 1 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
methyldopa | [no description available] | medium | 10 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
tocainide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 6 | 0 | | |
levobunolol | [no description available] | medium | 1 | 0 | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
vecuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
permethrin | [no description available] | medium | 4 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
sufentanil | [no description available] | medium | 2 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
torsemide | [no description available] | medium | 2 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
desflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
idarubicin | [no description available] | medium | 4 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
paroxetine | [no description available] | medium | 6 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
lodoxamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
atracurium | [no description available] | medium | 3 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
butoconazole | [no description available] | medium | 1 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
naftifine | [no description available] | medium | 1 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
pergolide | [no description available] | medium | 3 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
cefadroxil anhydrous | [no description available] | medium | 5 | 0 | cephalosporin | antibacterial drug |
encainide | [no description available] | medium | 2 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
nedocromil | [no description available] | medium | 1 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
cefaclor anhydrous | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug; drug allergen |
lovastatin | [no description available] | medium | 4 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
levocabastine | [no description available] | medium | 1 | 0 | piperidines | |
simvastatin | [no description available] | medium | 4 | 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 | 3 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
cabergoline | [no description available] | medium | 2 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
quinapril | [no description available] | medium | 7 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
fosphenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | |
finasteride | [no description available] | medium | 2 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 3 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
adapalene | [no description available] | medium | 1 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
sparfloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
zileuton | [no description available] | medium | 5 | 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 |
cidofovir anhydrous | [no description available] | medium | 3 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
topotecan | [no description available] | medium | 2 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | medium | 2 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 2 | 0 | benzenes; organic amino compound | |
remifentanil | [no description available] | medium | 2 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
atorvastatin | [no description available] | medium | 3 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
valsartan | [no description available] | medium | 5 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
cefprozil | [no description available] | medium | 3 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
methylprednisolone aceponate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
dexamethasone 17-valerate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dexamethasone dipropionate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
iopamidol | [no description available] | medium | 3 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
dexfenfluramine | [no description available] | medium | 4 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sertraline | [no description available] | medium | 6 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
erythromycin propionate | [no description available] | medium | 1 | 0 | erythromycin derivative | |
dexrazoxane | [no description available] | medium | 3 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
antebate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
atovaquone | [no description available] | medium | 3 | 0 | hydroxy-1,2-naphthoquinone | |
clarithromycin | [no description available] | medium | 6 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 3 | 0 | peptide | |
docetaxel | [no description available] | medium | 2 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
levofloxacin | [no description available] | medium | 6 | 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 |
ropivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
estradiol 3-benzoate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
estramustine | [no description available] | medium | 5 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
pentostatin | [no description available] | medium | 3 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
griseofulvin | [no description available] | medium | 6 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cefoxitin | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
saquinavir | [no description available] | medium | 3 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
netilmicin | [no description available] | medium | 4 | 0 | | |
metyrosine | [no description available] | medium | 2 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
rocuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
bacampicillin | [no description available] | medium | 2 | 0 | penicillanic acid ester | prodrug |
erythromycin ethylsuccinate | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal | anti-inflammatory drug |
betamethasone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone | |
acarbose | [no description available] | medium | 2 | 0 | amino cyclitol; glycoside | |
tretinoin | [no description available] | medium | 5 | 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 |
mycophenolic acid | [no description available] | medium | 4 | 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 |
mupirocin | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
fosfomycin | [no description available] | medium | 4 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
zithromax | [no description available] | medium | 6 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
teniposide | [no description available] | medium | 4 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
cefamandole | [no description available] | medium | 2 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
dactinomycin | [no description available] | medium | 5 | 0 | actinomycin | mutagen |
melphalan | [no description available] | medium | 6 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
sch 22219 | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester | anti-inflammatory drug |
mezlocillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
cholinophyllin | [no description available] | medium | 1 | 0 | | |
fludarabine | [no description available] | medium | 2 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 5 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
ipratropium bromide anhydrous | [no description available] | medium | 2 | 0 | | |
etomidate | [no description available] | medium | 4 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
mercaptopurine | [no description available] | medium | 8 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
thiothixene | [no description available] | medium | 5 | 0 | N-methylpiperazine | anticoronaviral agent |
sulindac | [no description available] | medium | 6 | 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 |
enclomiphene | [no description available] | medium | 2 | 0 | | |
terbinafine | [no description available] | medium | 4 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
thioguanine anhydrous | [no description available] | medium | 6 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
succimer | [no description available] | medium | 2 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
streptozocin | [no description available] | medium | 6 | 0 | | |
tamoxifen | [no description available] | medium | 6 | 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 |
ethionamide | [no description available] | medium | 5 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
dezocine | [no description available] | medium | 1 | 0 | phenols; primary amino compound | opioid analgesic |
dapiprazole | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-arylpiperazine; pyridines | alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug |
flosequinan | [no description available] | medium | 2 | 0 | quinolines | |
calcitriol | [no description available] | medium | 4 | 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 |
alprostadil | [no description available] | medium | 4 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
pulmicort | [no description available] | medium | 3 | 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 |
olopatadine | [no description available] | medium | 1 | 0 | | |
bw b1090u | [no description available] | medium | 1 | 0 | isoquinolines | |
7432 s | [no description available] | medium | 3 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
etretinate | [no description available] | medium | 3 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
isotretinoin | [no description available] | medium | 6 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
misoprostol | [no description available] | medium | 3 | 0 | | |
epoprostenol | [no description available] | medium | 3 | 0 | prostaglandins I | mouse metabolite |
betamethasone benzoate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
ly 163892 | [no description available] | medium | 6 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
nalmefene | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
calcipotriene | [no description available] | medium | 1 | 0 | cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol | antipsoriatic; drug allergen |
clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
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 |
halobetasol | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
latanoprost | [no description available] | medium | 1 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
nalbuphine | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
rimexolone | [no description available] | medium | 1 | 0 | 20-oxo steroid | |
vinorelbine | [no description available] | medium | 5 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
fluvoxamine | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
oxiconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
butorphanol | [no description available] | medium | 3 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
cefixime | [no description available] | medium | 5 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 5 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 4 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ramipril | [no description available] | medium | 4 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
indinavir sulfate | [no description available] | medium | 3 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 4 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
cefuroxime | [no description available] | medium | 3 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
ceftazidime | [no description available] | medium | 6 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
trandolapril | [no description available] | medium | 4 | 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 |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
famotidine | [no description available] | medium | 5 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cefotaxime | [no description available] | medium | 3 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
cci 15641 | [no description available] | medium | 1 | 0 | cephalosporin | |
cefpodoxime | [no description available] | medium | 2 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
cefpodoxime proxetil | [no description available] | medium | 1 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
nitrofurantoin | [no description available] | medium | 8 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
dantrolene | [no description available] | medium | 2 | 0 | | |
fosinopril | [no description available] | medium | 4 | 0 | | |
nystatin a1 | [no description available] | medium | 2 | 0 | nystatins | |
mesna | [no description available] | medium | 3 | 0 | organosulfonic acid | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug; prodrug |
tetracycline | [no description available] | medium | 10 | 0 | | |
minocycline | [no description available] | medium | 5 | 0 | | |
piroxicam | [no description available] | medium | 6 | 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 |
meclocycline | [no description available] | medium | 1 | 0 | | |
rifampin | [no description available] | high | 8 | 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 | 7 | 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 |
ganciclovir | [no description available] | medium | 4 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 2 | 0 | L-valyl ester | antiviral drug |
olanzapine | [no description available] | medium | 4 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
penciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
allopurinol | [no description available] | medium | 9 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
rifabutin | [no description available] | medium | 5 | 0 | | |
quinacrine | [no description available] | medium | 6 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
chlordecone | [no description available] | medium | 1 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
5,6-dimethylbenzimidazole | [no description available] | medium | 1 | 0 | dimethylbenzimidazole | Escherichia coli metabolite; human metabolite |
hexachlorocyclohexane | [no description available] | medium | 3 | 0 | chlorocyclohexane | |
parathion | [no description available] | medium | 2 | 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 |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
pyrazinamide | [no description available] | medium | 5 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
amitrole | [no description available] | medium | 1 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
acetazolamide | [no description available] | high | 33 | 1 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetazolamide | [no description available] | high | 33 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 4 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
ametantrone | [no description available] | medium | 1 | 0 | | |
2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
azinphosmethyl | [no description available] | medium | 1 | 0 | benzotriazines; organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
bromhexine | [no description available] | medium | 3 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
carbazilquinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carmofur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
celiprolol | [no description available] | medium | 1 | 0 | aromatic ketone | |
chloral hydrate | [no description available] | medium | 3 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chlorambucil | [no description available] | medium | 4 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chloroquine | [no description available] | medium | 6 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorothiazide | [no description available] | medium | 3 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpropamide | [no description available] | medium | 7 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 3 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cimetidine | [no description available] | medium | 11 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | medium | 11 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
clenbuterol | [no description available] | medium | 2 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clioquinol | [no description available] | medium | 4 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
dapsone | [no description available] | medium | 6 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
debrisoquin | [no description available] | medium | 5 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
diazoxide | [no description available] | medium | 4 | 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 |
dicamba | [no description available] | medium | 1 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlorphenamide | [no description available] | medium | 4 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dicyclomine | [no description available] | medium | 3 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
diethylcarbamazine | [no description available] | medium | 3 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
dimercaprol | [no description available] | medium | 6 | 0 | dithiol; primary alcohol | chelator |
dinitolmide | [no description available] | medium | 1 | 0 | dinitrotoluene | |
dipyridamole | [no description available] | medium | 5 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
dipyrone | [no description available] | medium | 1 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
domperidone | [no description available] | medium | 2 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ethinamate | [no description available] | medium | 1 | 0 | carbamate ester; terminal acetylenic compound | sedative |
berotek | [no description available] | medium | 3 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
guanethidine | [no description available] | medium | 5 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
hydralazine | [no description available] | medium | 5 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
isoproterenol | [no description available] | medium | 3 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
lomustine | [no description available] | medium | 4 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
mechlorethamine | [no description available] | medium | 5 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mepivacaine | [no description available] | medium | 3 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 11 | 0 | organic molecular entity | |
methoxyflurane | [no description available] | medium | 4 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methyclothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
methyl salicylate | [no description available] | medium | 2 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methylphenidate | [no description available] | medium | 7 | 0 | beta-amino acid ester; methyl ester; piperidines | |
clorgyline | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
nalidixic acid | [no description available] | medium | 6 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nitroglycerin | [no description available] | medium | 4 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
oxprenolol | [no description available] | medium | 3 | 0 | aromatic ether | |
4-dichlorobenzene | [no description available] | medium | 3 | 0 | dichlorobenzene | insecticide |
phenacetin | [no description available] | medium | 7 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenazopyridine | [no description available] | medium | 2 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phentermine | [no description available] | medium | 4 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
pipobroman | [no description available] | medium | 1 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
polythiazide | [no description available] | medium | 2 | 0 | benzothiadiazine | |
prilocaine | [no description available] | medium | 1 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
primaquine | [no description available] | medium | 4 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
probucol | [no description available] | medium | 4 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
procaine | [no description available] | medium | 4 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
resorcinol | [no description available] | medium | 1 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
semustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
streptonigrin | [no description available] | medium | 1 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
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 |
sulfaguanidine | [no description available] | medium | 1 | 0 | sulfonamide antibiotic | antiinfective agent |
sulfamethazine | [no description available] | medium | 2 | 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 | 3 | 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 |
sulfamethoxypyridazine | [no description available] | medium | 2 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfapyridine | [no description available] | medium | 2 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
sulfathiazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sulfoxone | [no description available] | medium | 1 | 0 | sulfonamide | |
tegafur | [no description available] | medium | 3 | 0 | organohalogen compound; pyrimidines | |
terbutaline | [no description available] | medium | 5 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
tetracaine | [no description available] | medium | 3 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
thiabendazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
2,2'-thiodiethanol | [no description available] | medium | 1 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
tolazamide | [no description available] | medium | 5 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolbutamide | [no description available] | medium | 6 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
triamterene | [no description available] | medium | 3 | 0 | pteridines | diuretic; sodium channel blocker |
trichlormethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
2,2',2''-trichlorotriethylamine | [no description available] | medium | 1 | 0 | | |
trimethoprim | [no description available] | medium | 7 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
urethane | [no description available] | medium | 3 | 0 | carbamate ester | fungal metabolite; mutagen |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
reserpine | [no description available] | medium | 7 | 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 |
triethylenemelamine | [no description available] | medium | 1 | 0 | 1,3,5-triazines | alkylating agent; insect sterilant |
allobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
paramethasone | [no description available] | medium | 2 | 0 | fluorinated steroid | |
azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
penicillin g | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
idoxuridine | [no description available] | medium | 3 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
chloramphenicol | [no description available] | high | 5 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
dromostanolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
cephalothin | [no description available] | medium | 2 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
bromodeoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
thiamine | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
methicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
niridazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; C-nitro compound | |
cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 2 | 0 | benzoxazole | |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
colchicine | [no description available] | medium | 5 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
uracil mustard | [no description available] | medium | 3 | 0 | aminouracil; nitrogen mustard | |
oxacillin | [no description available] | medium | 2 | 0 | penicillin | antibacterial agent; antibacterial drug |
cycloheximide | [no description available] | medium | 2 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
fluocinolone acetonide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
triaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
mannitol | [no description available] | medium | 4 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
sulfobromophthalein sodium | [no description available] | medium | 2 | 0 | organic sodium salt | dye |
dalapon | [no description available] | medium | 1 | 0 | carboxylic acid; organohalogen compound | |
methylpentynol | [no description available] | medium | 1 | 0 | ynone | |
penicillin v | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | |
pseudoephedrine | [no description available] | medium | 4 | 0 | phenylethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
fenoprop | [no description available] | medium | 1 | 0 | monocarboxylic acid | phenoxy herbicide |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
dicloran | [no description available] | medium | 1 | 0 | aromatic fungicide; dichlorobenzene; nitroaniline | antifungal agrochemical |
phenylhydrazine | [no description available] | medium | 1 | 0 | phenylhydrazines | xenobiotic |
dyrene | [no description available] | medium | 1 | 0 | monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines | antifungal agrochemical |
acrolein | [no description available] | medium | 1 | 0 | enal | herbicide; human xenobiotic metabolite; toxin |
tetraethylenepentamine | [no description available] | medium | 1 | 0 | polyazaalkane | copper chelator |
ergotamine | [no description available] | medium | 2 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
chloranil | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
amiben | [no description available] | medium | 1 | 0 | chlorobenzoic acid | |
monuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes | environmental contaminant; herbicide; xenobiotic |
iminodiacetic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
diazooxonorleucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
methylpentynol carbamate | [no description available] | medium | 1 | 0 | | |
mechlorethamine n-oxide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
azacitidine | [no description available] | medium | 5 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
linuron | [no description available] | medium | 1 | 0 | dichlorobenzene; phenylureas | agrochemical; environmental contaminant; herbicide; xenobiotic |
carbutamide | [no description available] | medium | 3 | 0 | benzenes; sulfonamide | |
hydantoins | [no description available] | medium | 24 | 0 | imidazolidine-2,4-dione | |
plumbagin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
emetine | [no description available] | medium | 3 | 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 |
pamaquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
mustard gas | [no description available] | medium | 1 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
hesperidin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
medroxyprogesterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
apronalide | [no description available] | medium | 1 | 0 | N-acylurea | |
4,6-dinitro-o-cresol | [no description available] | medium | 1 | 0 | dinitrophenol acaricide; hydroxytoluene; nitrotoluene | dinitrophenol insecticide; fungicide; herbicide |
metahexamide | [no description available] | medium | 2 | 0 | benzenes; sulfonamide | |
toyocamycin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
hadacidin | [no description available] | medium | 1 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
carbophenothion | [no description available] | medium | 1 | 0 | organic sulfide | |
porfiromycin | [no description available] | medium | 1 | 0 | | |
deoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
testolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(1),Delta(4)-steroid; seco-androstane | |
pyrithioxin | [no description available] | medium | 1 | 0 | methylpyridines | |
nsc 65346 | [no description available] | medium | 1 | 0 | nucleoside analogue | protein kinase inhibitor |
guanazole | [no description available] | medium | 1 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
meturedepa | [no description available] | medium | 1 | 0 | phosphoramide | |
ioxynil | [no description available] | medium | 1 | 0 | iodophenol; nitrile | environmental contaminant; herbicide; xenobiotic |
bromoxynil | [no description available] | medium | 1 | 0 | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
picloram | [no description available] | medium | 1 | 0 | aminopyridine; chloropyridine; organochlorine pesticide; pyridinemonocarboxylic acid | herbicide; synthetic auxin |
ethoglucid | [no description available] | medium | 1 | 0 | epoxide | |
azaribine | [no description available] | medium | 2 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
1,3,5-triglycidyl-s-triazinetrione | [no description available] | medium | 1 | 0 | | |
acetophenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
doxifluridine | [no description available] | medium | 2 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
dicloxacillin | [no description available] | medium | 2 | 0 | dichlorobenzene; penicillin | antibacterial drug |
streptomycin | [no description available] | medium | 6 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
piperacetazine | [no description available] | medium | 1 | 0 | phenothiazines | |
carbenicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
floxacillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
pentaquine | [no description available] | medium | 1 | 0 | | |
isopentenyladenosine | [no description available] | medium | 1 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
ancitabine | [no description available] | medium | 2 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
phenacid | [no description available] | medium | 1 | 0 | | |
xipamide | [no description available] | medium | 3 | 0 | benzamides | |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
calusterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
etoprine | [no description available] | medium | 1 | 0 | | |
razoxane | [no description available] | medium | 2 | 0 | N-alkylpiperazine | |
fludarabine phosphate | [no description available] | medium | 3 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
triamcinolone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
azetepa | [no description available] | medium | 1 | 0 | phosphoramide | |
ripazepam | [no description available] | medium | 2 | 0 | benzenes | |
prednimustine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
amygdalin | [no description available] | medium | 1 | 0 | cyanogenic glycoside; disaccharide derivative; gentiobioside | plant metabolite |
amineptin | [no description available] | medium | 4 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
ticarcillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
etidocaine | [no description available] | medium | 2 | 0 | amino acid amide | local anaesthetic |
cephradine | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
nimustine | [no description available] | medium | 1 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
butibufen | [no description available] | medium | 2 | 0 | monoterpenoid | |
spiromustine | [no description available] | medium | 1 | 0 | | |
diaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
triciribine phosphate | [no description available] | medium | 1 | 0 | | |
bw-755c | [no description available] | medium | 1 | 0 | | |
piritrexim | [no description available] | medium | 3 | 0 | | |
caracemide | [no description available] | medium | 1 | 0 | | |
bambuterol | [no description available] | medium | 4 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
cilazapril, anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
2,5-bis(1-aziridinyl)-3,6-bis(2-methoxyethoxy)-4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | |
morzid | [no description available] | medium | 1 | 0 | morpholines | |
febrifugine | [no description available] | medium | 1 | 0 | quinazolines | |
thymine arabinoside | [no description available] | medium | 1 | 0 | N-glycosyl compound | |
psicofuranine | [no description available] | medium | 1 | 0 | psicose derivative; purine nucleoside | |
triciribine | [no description available] | medium | 1 | 0 | nucleoside analogue | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
5-chloro-2'-deoxyuridine | [no description available] | medium | 1 | 0 | | |
bendamustine | [no description available] | medium | 3 | 0 | benzimidazoles | |
trofosfamide | [no description available] | medium | 1 | 0 | ifosfamides | |
4-aminobenzoic acid-n-xyloside | [no description available] | medium | 1 | 0 | | |
fotrin | [no description available] | medium | 1 | 0 | | |
sufosfamide | [no description available] | medium | 1 | 0 | | |
propatyl nitrate | [no description available] | medium | 1 | 0 | nitrate ester | |
sulfamidochrysoidine | [no description available] | medium | 1 | 0 | | |
ibopamine | [no description available] | medium | 2 | 0 | benzoate ester; phenols | |
pumitepa | [no description available] | medium | 1 | 0 | | |
elmustine | [no description available] | medium | 1 | 0 | | |
forphenicinol | [no description available] | medium | 1 | 0 | | |
inproquone | [no description available] | medium | 1 | 0 | | |
neplanocin a | [no description available] | medium | 1 | 0 | | |
1-ethoxysilatrane | [no description available] | medium | 1 | 0 | | |
tretazicar | [no description available] | medium | 1 | 0 | | |
nsc-172755 | [no description available] | medium | 1 | 0 | | |
streptovitacin a | [no description available] | medium | 1 | 0 | | |
cb 10375 | [no description available] | medium | 1 | 0 | | |
carbenicillin indanyl | [no description available] | medium | 1 | 0 | penicillin | |
cb 1837 | [no description available] | medium | 1 | 0 | | |
hexaphosphamide | [no description available] | medium | 1 | 0 | | |
dipin | [no description available] | medium | 1 | 0 | | |
phosphazine | [no description available] | medium | 1 | 0 | | |
diiodobenzotepa | [no description available] | medium | 1 | 0 | | |
icig 1163 | [no description available] | medium | 1 | 0 | | |
bimolane | [no description available] | medium | 1 | 0 | | |
thiodipin | [no description available] | medium | 1 | 0 | | |
fluoxydine | [no description available] | medium | 1 | 0 | | |
imiphos | [no description available] | medium | 1 | 0 | | |
aldophosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
perindopril | [no description available] | medium | 4 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
3,6-bis(5-chloro-2-piperidyl)-2,5-piperazinedione | [no description available] | medium | 1 | 0 | | |
oxymatrine | [no description available] | medium | 1 | 0 | alkaloid; tertiary amine oxide | |
1,1,2-trichloroethanol | [no description available] | medium | 1 | 0 | | |
iremycin | [no description available] | medium | 1 | 0 | | |
n,n'-bis((2-chloroethyl)nitrosocarbamoyl)cystamine | [no description available] | medium | 1 | 0 | | |
hainanensine | [no description available] | medium | 1 | 0 | | |
ritrosulfan | [no description available] | medium | 1 | 0 | | |
damvar | [no description available] | medium | 1 | 0 | | |
benzo-tepa | [no description available] | medium | 1 | 0 | | |
tac 278 | [no description available] | medium | 1 | 0 | | |
aminopterin | [no description available] | medium | 3 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
(4r)-3-((2s)-3-mercapto-2-methylpropanoyl)-4- thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | | |
atropine | [no description available] | medium | 10 | 0 | | |
deflazacort | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
hexestrol diphosphate | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 2 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
demecolcine | [no description available] | medium | 1 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
nsc-89199 | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
phenethicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | |
indicine-n-oxide | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 1 | 0 | | |
oxytocin | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
digitoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
angustibalin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
retinol | [no description available] | medium | 4 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
clindamycin | [no description available] | medium | 4 | 0 | | |
formycin | [no description available] | medium | 1 | 0 | formycin | antineoplastic agent |
azaserine | [no description available] | medium | 3 | 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 |
dipyrone | [no description available] | medium | 2 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
aceglatone | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbenoxolone | [no description available] | medium | 3 | 0 | | |
amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
mitobronitol | [no description available] | medium | 2 | 0 | alcohol; organobromine compound | |
leuprolide | [no description available] | medium | 2 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
octotropine methylbromide | [no description available] | medium | 3 | 0 | | |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
thioinosine | [no description available] | medium | 1 | 0 | | |
thiouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
methimazole | [no description available] | medium | 5 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
digoxin | [no description available] | medium | 7 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
6-thioguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
lincomycin | [no description available] | medium | 2 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
thiocarlide | [no description available] | medium | 1 | 0 | thioureas | |
mannomustine | [no description available] | medium | 1 | 0 | amino alcohol | |
gestodene | [no description available] | medium | 3 | 0 | steroid | estrogen |
glucametacin | [no description available] | medium | 2 | 0 | | |
1-(2-(2-(4-pyridyl)-2-imidazoline-1-yl)ethyl)-3-(4-carboxyphenyl)urea | [no description available] | medium | 1 | 0 | | |
hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
cynarine | [no description available] | medium | 3 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
codeine | [no description available] | medium | 4 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
cyclosporine | [no description available] | medium | 5 | 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 |
dihydrocodeine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
naloxone | [no description available] | medium | 6 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
pactamycin | [no description available] | medium | 1 | 0 | | |
anthramycin | [no description available] | medium | 1 | 0 | | |
lacidipine | [no description available] | medium | 2 | 0 | cinnamate ester; tert-butyl ester | |
cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
irisquinone | [no description available] | medium | 1 | 0 | | |
mitoguazone | [no description available] | medium | 1 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
nitrofurazone | [no description available] | medium | 2 | 0 | | |
ceftiofur | [no description available] | medium | 1 | 0 | | |
cilastatin | [no description available] | medium | 1 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
sibiromycin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 3 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
butylscopolammonium bromide | [no description available] | medium | 2 | 0 | | |
fumagillin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; carboxylic ester; dicarboxylic acid monoester; meroterpenoid; organooxygen heterocyclic antibiotic; spiro-epoxide | angiogenesis inhibitor; antibacterial drug; antimicrobial agent; antiprotozoal drug; fungal metabolite; methionine aminopeptidase 2 inhibitor |
thioacetazone | [no description available] | medium | 1 | 0 | | |
treosulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | |
gentamicin sulfate | [no description available] | medium | 3 | 0 | | |
nkp 608 | [no description available] | medium | 1 | 0 | | |
ganu | [no description available] | medium | 1 | 0 | | |
metamelfalan | [no description available] | medium | 1 | 0 | | |
vindesine | [no description available] | medium | 2 | 0 | | |
diflucortolone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
2-((3-chloroethyl)-3-nitrosoureido)glucopyranose | [no description available] | medium | 1 | 0 | | |
ro 6-4563 | [no description available] | medium | 1 | 0 | monoterpenoid | |
flucloronide | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
hainanolide | [no description available] | medium | 1 | 0 | | |
gliocladic acid | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | |
cleistanthin | [no description available] | medium | 1 | 0 | cleistanthins; xylose derivative | alpha-adrenergic antagonist; antihypertensive agent; diuretic |
nimorazole | [no description available] | medium | 1 | 0 | | |
ascorbic acid | [no description available] | high | 7 | 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 | 5 | 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 |
chlortetracycline | [no description available] | medium | 4 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 4 | 0 | | |
bactobolin | [no description available] | medium | 1 | 0 | amino acid amide | |
mobiflex | [no description available] | medium | 3 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
demeclocycline | [no description available] | medium | 2 | 0 | | |
dacarbazine | [no description available] | medium | 6 | 0 | dacarbazine | |
azaguanine | [no description available] | medium | 1 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
alanosine | [no description available] | medium | 2 | 0 | | |
7-deazaguanosine | [no description available] | medium | 1 | 0 | | |
pyrazofurin | [no description available] | medium | 1 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
n(10)-methylfolate | [no description available] | medium | 1 | 0 | folic acids | |
5-methyltetrahydrohomofolic acid | [no description available] | medium | 1 | 0 | | |
ninopterin | [no description available] | medium | 1 | 0 | | |
acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
adenine | [no description available] | medium | 2 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
betaine | [no description available] | medium | 3 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
citric acid, anhydrous | [no description available] | medium | 1 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
creatine | [no description available] | medium | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lactic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
formaldehyde | [no description available] | medium | 1 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycine | [no description available] | medium | 2 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
glycerol | [no description available] | medium | 2 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
hydroquinone | [no description available] | medium | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
inositol | [no description available] | medium | 4 | 0 | cyclitol; hexol | |
niacinamide | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
niacin | [no description available] | medium | 5 | 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 |
orotic acid | [no description available] | medium | 2 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxine | [no description available] | medium | 5 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 4 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
urea | [no description available] | medium | 7 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
urea | [no description available] | medium | 7 | 1 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
catechin | [no description available] | medium | 1 | 0 | hydroxyflavan | |
menthol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
alfuzosin | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
ambroxol | [no description available] | medium | 2 | 0 | aromatic amine | |
pimagedine | [no description available] | medium | 1 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
amobarbital | [no description available] | medium | 6 | 0 | barbiturates | |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
barbital | [no description available] | medium | 5 | 0 | barbiturates | drug allergen |
bendazac | [no description available] | medium | 2 | 0 | indazoles; monocarboxylic acid | non-steroidal anti-inflammatory drug; radical scavenger |
benzbromarone | [no description available] | medium | 4 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls; imidazoles | |
bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea; organobromine compound | |
brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
butalbital | [no description available] | medium | 2 | 0 | barbiturates | analgesic; sedative |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
carisoprodol | [no description available] | medium | 3 | 0 | carbamate ester | muscle relaxant |
carprofen | [no description available] | medium | 1 | 0 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
celecoxib | [no description available] | medium | 3 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
chlordiazepoxide | [no description available] | medium | 15 | 0 | benzodiazepine | |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
chlorpheniramine | [no description available] | medium | 3 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | medium | 16 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorzoxazone | [no description available] | medium | 8 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
ciprofibrate | [no description available] | medium | 4 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofibrate | [no description available] | medium | 5 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clomiphene | [no description available] | medium | 3 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
clotrimazole | [no description available] | medium | 4 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
cyclandelate | [no description available] | medium | 2 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
cyproheptadine | [no description available] | medium | 2 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
deferoxamine | [no description available] | medium | 2 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
amphetamine | [no description available] | medium | 7 | 0 | primary amine | |
eflornithine | [no description available] | medium | 1 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
ddt | [no description available] | medium | 2 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
diphenhydramine | [no description available] | medium | 4 | 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 |
ethacrynic acid | [no description available] | medium | 3 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
fenofibrate | [no description available] | medium | 4 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
flufenamic acid | [no description available] | medium | 4 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
fomepizole | [no description available] | medium | 2 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
glafenine | [no description available] | medium | 4 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 4 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
gossypol | [no description available] | medium | 1 | 0 | | |
guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
fasudil | [no description available] | medium | 1 | 0 | isoquinolines; N-sulfonyldiazepane | antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent |
hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
hexetidine | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound; organonitrogen heterocyclic compound | |
hexobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
imipramine | [no description available] | medium | 9 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
iodipamide | [no description available] | medium | 2 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
avapro | [no description available] | medium | 4 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
2-propanol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
isoxsuprine | [no description available] | medium | 3 | 0 | alkylbenzene | |
ketamine | [no description available] | medium | 5 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketanserin | [no description available] | medium | 2 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
khellin | [no description available] | medium | 1 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
leflunomide | [no description available] | medium | 5 | 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 |
lofepramine | [no description available] | medium | 2 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
loperamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
malathion | [no description available] | medium | 1 | 0 | diester; ethyl ester; organic thiophosphate | |
diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
mazindol | [no description available] | medium | 2 | 0 | organic molecular entity | |
meclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
vitamin k 3 | [no description available] | medium | 4 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
methadone | [no description available] | medium | 3 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methoxsalen | [no description available] | medium | 2 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
methyprylon | [no description available] | medium | 2 | 0 | organic molecular entity | |
metyrapone | [no description available] | medium | 3 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
mianserin | [no description available] | medium | 5 | 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 | 3 | 0 | dichlorobenzene; ether; imidazoles | |
mitotane | [no description available] | medium | 2 | 0 | diarylmethane | |
modafinil | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 3 | 0 | monoterpenoid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
nialamide | [no description available] | medium | 3 | 0 | organonitrogen compound; organooxygen compound | |
niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
niflumic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
nimesulide | [no description available] | medium | 4 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
orphenadrine | [no description available] | medium | 2 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxamniquine | [no description available] | medium | 2 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
oxazepam | [no description available] | medium | 4 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
oxybenzone | [no description available] | medium | 1 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
oxyphenbutazone | [no description available] | medium | 3 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 5 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pantoprazole | [no description available] | medium | 3 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
pentobarbital | [no description available] | medium | 16 | 0 | barbiturates | GABAA receptor agonist |
perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
phenolphthalein | [no description available] | medium | 2 | 0 | phenols | |
phenoxybenzamine | [no description available] | medium | 3 | 0 | aromatic amine | |
phenylbutazone | [no description available] | medium | 5 | 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 |
moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
pinacidil | [no description available] | medium | 3 | 0 | pyridines | |
pipemidic acid | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
piperazine | [no description available] | medium | 1 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
prochlorperazine | [no description available] | medium | 2 | 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 |
promethazine | [no description available] | medium | 4 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
pyrimethamine | [no description available] | medium | 5 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
rofecoxib | [no description available] | medium | 2 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
salicylamide | [no description available] | medium | 1 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sibutramine | [no description available] | medium | 2 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
vorinostat | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfadimethoxine | [no description available] | medium | 3 | 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 |
sulfameter | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; leprostatic drug; renal agent |
sulfamethizole | [no description available] | medium | 4 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfaphenazole | [no description available] | medium | 1 | 0 | primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor |
sulfinpyrazone | [no description available] | medium | 4 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 2 | 0 | alkylbenzene | |
sulpiride | [no description available] | medium | 1 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
suramin | [no description available] | medium | 2 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
gatifloxacin | [no description available] | medium | 3 | 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 | 3 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
thalidomide | [no description available] | medium | 7 | 0 | phthalimides; piperidones | |
tiaprofenic acid | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
tolperisone | [no description available] | medium | 2 | 0 | aromatic ketone | |
tranexamic acid | [no description available] | medium | 2 | 0 | amino acid | |
triclosan | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound; organic chloride salt | protein denaturant |
hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
cortisone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
mitomycin | [no description available] | medium | 2 | 0 | mitomycin | alkylating agent; antineoplastic agent |
estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
cephaloridine | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
phentolamine | [no description available] | medium | 4 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
sorbitol | [no description available] | medium | 5 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; pyrimidines | mutagen |
3,3',5-triiodothyroacetic acid | [no description available] | medium | 1 | 0 | | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
thyroxine | [no description available] | medium | 3 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
dextroamphetamine | [no description available] | medium | 3 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
norethindrone acetate | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound | progestin; synthetic oral contraceptive |
cyclobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
estrone | [no description available] | medium | 4 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
oxandrolone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
triiodothyronine | [no description available] | medium | 4 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
glutamine | [no description available] | medium | 2 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
cetrimonium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
apomorphine | [no description available] | medium | 2 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
aminopyrine | [no description available] | medium | 4 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
methyltestosterone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
tetrabenazine | [no description available] | medium | 3 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
kanamycin a | [no description available] | medium | 2 | 0 | kanamycins | bacterial metabolite |
phenylephrine | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
carbaryl | [no description available] | medium | 1 | 0 | carbamate ester; naphthalenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant |
lactose | [no description available] | medium | 3 | 0 | lactose | |
methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
Mebutamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
norethindrone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
methaqualone | [no description available] | medium | 2 | 0 | quinazolines | GABA agonist; sedative |
trypan blue | [no description available] | medium | 1 | 0 | | |
cordycepin | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | antimetabolite; nucleoside antibiotic |
tryptophan | [no description available] | medium | 2 | 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 |
arginine | [no description available] | medium | 5 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
trichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichloroethylene | [no description available] | medium | 3 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
synephrine | [no description available] | medium | 1 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
benzoyl peroxide | [no description available] | medium | 1 | 0 | carbonyl compound | |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
neostigmine bromide | [no description available] | medium | 1 | 0 | bromide salt | |
phenformin | [no description available] | medium | 2 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
framycetin | [no description available] | medium | 2 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
meglumine | [no description available] | medium | 1 | 0 | hexosamine; secondary amino compound | |
cinchophen | [no description available] | medium | 4 | 0 | quinolines | |
yohimbine | [no description available] | medium | 1 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
mequinol | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | metabolite |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
ephedrine | [no description available] | medium | 4 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
chlormadinone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
2,3-dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
evans blue | [no description available] | medium | 2 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
aminophylline | [no description available] | medium | 2 | 0 | mixture | bronchodilator agent; cardiotonic drug |
phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
nandrolone decanoate | [no description available] | medium | 2 | 0 | steroid ester | |
bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; butanamides; butyrate ester | agonist; cardiotonic drug; vasodilator agent |
perflubron | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; perfluorinated compound | blood substitute; radioopaque medium |
cyproterone acetate | [no description available] | medium | 3 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
dextropropoxyphene | [no description available] | medium | 5 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
dihydralazine | [no description available] | medium | 2 | 0 | phthalazines | |
phenylpropanolamine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
dihydroergotamine | [no description available] | medium | 2 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
methamphetamine | [no description available] | medium | 5 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
hematoporphyrin | [no description available] | medium | 1 | 0 | | |
lactulose | [no description available] | medium | 2 | 0 | glycosylfructose | gastrointestinal drug; laxative |
erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
vancomycin | [no description available] | medium | 4 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
d-alpha tocopherol | [no description available] | medium | 3 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
amiloride | [no description available] | medium | 2 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
sulfadoxine | [no description available] | medium | 3 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether; isoquinolines; pyridoisoquinoline | antileishmanial agent; antimalarial; antiprotozoal drug |
benorilate | [no description available] | medium | 2 | 0 | carbonyl compound | |
trimetazidine | [no description available] | medium | 1 | 0 | aromatic amine | |
vidarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
camptothecin | [no description available] | medium | 1 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
stanozolol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
thiamphenicol | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
pizotyline | [no description available] | medium | 1 | 0 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
carbimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
oxyphenisatin | [no description available] | medium | 2 | 0 | indoles | |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
butachlor | [no description available] | medium | 1 | 0 | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
nicergoline | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
oxcarbazepine | [no description available] | medium | 2 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
pirprofen | [no description available] | medium | 4 | 0 | pyrroline | |
amikacin | [no description available] | medium | 3 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
ticrynafen | [no description available] | medium | 4 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
bezafibrate | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
benoxaprofen | [no description available] | medium | 4 | 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 |
pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
epirubicin | [no description available] | medium | 5 | 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 |
foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
moxalactam | [no description available] | medium | 1 | 0 | cephalosporin; oxacephem | antibacterial drug |
nicorandil | [no description available] | medium | 1 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
miglustat | [no description available] | medium | 2 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
mifepristone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
clopidogrel | [no description available] | medium | 2 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
bromfenac | [no description available] | medium | 4 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
duloxetine | [no description available] | medium | 2 | 0 | duloxetine | |
adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines; carbonate ester; ether; organic phosphonate | antiviral drug; DNA synthesis inhibitor; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent; prodrug |
capecitabine | [no description available] | medium | 2 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
halofuginone | [no description available] | medium | 1 | 0 | quinazolines | |
ortho-cept | [no description available] | medium | 1 | 0 | | |
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 1 | 0 | stilbenoid | |
efavirenz | [no description available] | medium | 2 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 2 | 0 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
doxapram hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | central nervous system stimulant |
1,5-anhydroglucitol | [no description available] | medium | 1 | 0 | anhydro sugar | human metabolite |
betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite |
amprenavir | [no description available] | medium | 2 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
telmisartan | [no description available] | medium | 4 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
picosulfate sodium | [no description available] | medium | 1 | 0 | aryl sulfate; pyridines | |
dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone | progesterone receptor agonist; progestin; synthetic oral contraceptive |
morphazinamide | [no description available] | medium | 1 | 0 | morpholines; pyrazines; secondary carboxamide | |
voriconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
clevudine | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
rosiglitazone | [no description available] | medium | 4 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
lopinavir | [no description available] | medium | 1 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
sr141716 | [no description available] | medium | 1 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
bosentan anhydrous | [no description available] | medium | 4 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion; selenomethionine | plant metabolite |
fingolimod | [no description available] | medium | 1 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
nitisinone | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
clofarabine | [no description available] | medium | 2 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
mitiglinide | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
gefitinib | [no description available] | medium | 3 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
antiprimod | [no description available] | medium | 1 | 0 | | |
sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
olmesartan medoxomil | [no description available] | medium | 2 | 0 | biphenyls | |
ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid | anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent |
atazanavir | [no description available] | medium | 2 | 0 | carbohydrazide | antiviral drug; HIV protease inhibitor |
ezetimibe | [no description available] | medium | 2 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
cariporide | [no description available] | medium | 1 | 0 | | |
tezosentan | [no description available] | medium | 1 | 0 | | |
jtt 501 | [no description available] | medium | 1 | 0 | | |
cyc 202 | [no description available] | medium | 2 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
biotin | [no description available] | medium | 3 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
troleandomycin | [no description available] | medium | 3 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
deferasirox | [no description available] | medium | 2 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
tbc-11251 | [no description available] | medium | 2 | 0 | benzodioxoles | |
sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
benzarone | [no description available] | medium | 2 | 0 | 1-benzofurans | |
noscapine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 1 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
bortezomib | [no description available] | medium | 2 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
glucosamine | [no description available] | medium | 3 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
erythromycin estolate | [no description available] | medium | 3 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
devazepide | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
tolterodine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
doxorubicin hydrochloride | [no description available] | medium | 3 | 0 | anthracycline | |
ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
alpha-D-fructofuranose 1,6-bisphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | |
docosahexaenoate | [no description available] | medium | 1 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
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 |
tacrolimus | [no description available] | medium | 2 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cerivastatin | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 2 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
drf 2725 | [no description available] | medium | 3 | 0 | | |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
decitabine | [no description available] | medium | 2 | 0 | 2'-deoxyribonucleoside | |
tenofovir | [no description available] | medium | 2 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
rubitecan | [no description available] | medium | 1 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
micafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | medium | 3 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
sodium bicarbonate | [no description available] | medium | 3 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
capsaicin | [no description available] | medium | 3 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug; food preservative |
fusidic acid | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
hmr 3647 | [no description available] | medium | 4 | 0 | | |
toremifene | [no description available] | medium | 3 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
or 1259 | [no description available] | medium | 1 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
orlistat | [no description available] | medium | 2 | 0 | beta-lactone; carboxylic ester; formamides; L-leucine derivative | anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
idoxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine | antineoplastic agent; tyrosine kinase inhibitor |
silybin | [no description available] | medium | 1 | 0 | | |
chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
tolcapone | [no description available] | medium | 5 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
dinoprostone | [no description available] | medium | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | medium | 2 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
beta carotene | [no description available] | medium | 2 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
clavulanic acid | [no description available] | medium | 2 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
oxymetholone | [no description available] | medium | 2 | 0 | | |
montelukast | [no description available] | medium | 4 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mycophenolate mofetil | [no description available] | medium | 2 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
entacapone | [no description available] | medium | 4 | 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 |
astaxanthine | [no description available] | medium | 1 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
tranilast | [no description available] | medium | 1 | 0 | amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide | anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent |
ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
pitavastatin | [no description available] | medium | 2 | 0 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
alatrofloxacin mesylate | [no description available] | medium | 2 | 0 | | |
natamycin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; dicarboxylic acid monoester; epoxide; macrolide antibiotic; monosaccharide derivative; polyene antibiotic | antifungal agrochemical; antimicrobial food preservative; apoptosis inducer; bacterial metabolite; ophthalmology drug |
acitretin | [no description available] | medium | 4 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
levetiracetam | [no description available] | medium | 4 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
nalorphine | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
oxymorphone | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
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 |
alvocidib | [no description available] | medium | 1 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
seocalcitol | [no description available] | medium | 1 | 0 | | |
fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
geldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
semaxinib | [no description available] | medium | 1 | 0 | olefinic compound; oxindoles; pyrroles | angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
orantinib | [no description available] | medium | 1 | 0 | | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
dextromethorphan | [no description available] | medium | 2 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
bleomycin | [no description available] | medium | 2 | 0 | bleomycin | antineoplastic agent; metabolite |
enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
ximelagatran | [no description available] | medium | 3 | 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 |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
proguanil | [no description available] | medium | 2 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rifamycin sv | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
ixabepilone | [no description available] | medium | 2 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
dantrolene sodium | [no description available] | medium | 3 | 0 | | |
nifurtimox | [no description available] | medium | 2 | 0 | nitrofuran antibiotic | |
roxithromycin | [no description available] | medium | 2 | 0 | roxithromycin | environmental contaminant; xenobiotic |
beraprost | [no description available] | medium | 1 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
lanreotide | [no description available] | medium | 1 | 0 | | |
lu 208075 | [no description available] | medium | 2 | 0 | diarylmethane | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
eflucimibe | [no description available] | medium | 1 | 0 | | |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
pentagastrin | [no description available] | medium | 2 | 0 | organic molecular entity | |
azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
vinflunine | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
baci-im | [no description available] | medium | 4 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 3 | 0 | | |
tannins | [no description available] | medium | 1 | 0 | tannin | |
cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt; statin (synthetic) | |
monensin | [no description available] | medium | 1 | 0 | | |
oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
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 |
acenocoumarol | [no description available] | medium | 3 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 3 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
phenprocoumon | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
rolitetracycline | [no description available] | medium | 2 | 0 | | |
lornoxicam | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ajmaline | [no description available] | medium | 1 | 0 | | |
entecavir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
inosine | [no description available] | medium | 1 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
folic acid | [no description available] | medium | 8 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
sildenafil | [no description available] | medium | 2 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
oxypurinol | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
alpha-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
histamine | [no description available] | medium | 2 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
methacholine | [no description available] | medium | 1 | 0 | acetate ester; quaternary ammonium ion | bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent |
antazoline | [no description available] | medium | 1 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
bendroflumethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
benzquinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative |
bethanidine | [no description available] | medium | 1 | 0 | guanidines | adrenergic antagonist; antihypertensive agent |
bisacodyl | [no description available] | medium | 2 | 0 | diarylmethane | |
bunitrolol | [no description available] | medium | 1 | 0 | aromatic ether | |
bupranolol | [no description available] | medium | 1 | 0 | aromatic ether | |
metrizoate | [no description available] | medium | 1 | 0 | monocarboxylic acid | radioopaque medium |
carbazochrome | [no description available] | medium | 1 | 0 | | |
carbinoxamine | [no description available] | medium | 2 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
chlorcyclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
chloroxine | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound | antibacterial agent; antifungal drug; antiseborrheic |
cyclofenil | [no description available] | medium | 2 | 0 | organic molecular entity | |
desipramine | [no description available] | medium | 5 | 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 |
diphenidol | [no description available] | medium | 1 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
doxylamine | [no description available] | medium | 3 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
dyphylline | [no description available] | medium | 2 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
profenamine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
ethyl loflazepate | [no description available] | medium | 2 | 0 | organic molecular entity | |
etizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
fenoprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flavoxate | [no description available] | medium | 2 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
flurazepam | [no description available] | high | 3 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
flutazolam | [no description available] | medium | 1 | 0 | hemiaminal ether; organic molecular entity | |
hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
homochlorocyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
hydroflumethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
iodamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound | radioopaque medium |
iothalamic acid | [no description available] | medium | 1 | 0 | organic molecular entity | |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
ketotifen | [no description available] | medium | 4 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
lorazepam | [no description available] | medium | 3 | 0 | benzodiazepine | |
memantine | [no description available] | medium | 4 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
mesoridazine | [no description available] | medium | 2 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methapyrilene | [no description available] | medium | 3 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
methocarbamol | [no description available] | medium | 4 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
nomifensine | [no description available] | medium | 5 | 0 | isoquinolines | dopamine uptake inhibitor |
oxolinic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor |
pargyline | [no description available] | medium | 6 | 0 | aromatic amine | |
perhexiline | [no description available] | medium | 4 | 0 | piperidines | cardiovascular drug |
phenindione | [no description available] | medium | 2 | 0 | aromatic ketone; beta-diketone | anticoagulant |
pheniramine | [no description available] | medium | 1 | 0 | pyridines; tertiary amino compound | |
pyranoprofen | [no description available] | medium | 1 | 0 | pyridochromene | |
proglumide | [no description available] | medium | 1 | 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 |
promazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
propiomazine | [no description available] | medium | 1 | 0 | aromatic ketone; phenothiazines; tertiary amino compound | dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist |
protriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant |
proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
rizatriptan | [no description available] | medium | 2 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
salicylsalicylic acid | [no description available] | medium | 2 | 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 |
secobarbital | [no description available] | medium | 2 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
ipodate | [no description available] | medium | 1 | 0 | | |
succinylcholine | [no description available] | medium | 3 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
sulfobromophthalein | [no description available] | medium | 2 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
tiaramide | [no description available] | medium | 1 | 0 | benzothiazoles | |
tilorone | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
trimebutine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
delavirdine | [no description available] | medium | 2 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
lysergic acid diethylamide | [no description available] | medium | 5 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
norethandrolone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
cysteamine | [no description available] | medium | 2 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
leucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
gallamine triethiodide | [no description available] | medium | 4 | 0 | | |
4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
methandrostenolone | [no description available] | medium | 1 | 0 | organic molecular entity | |
quinethazone | [no description available] | medium | 1 | 0 | quinazolines | antihypertensive agent; diuretic |
tribromoethanol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
mepenzolate bromide | [no description available] | medium | 1 | 0 | diarylmethane | |
carbromal | [no description available] | medium | 1 | 0 | N-acylurea | |
triparanol | [no description available] | medium | 1 | 0 | stilbenoid | anticoronaviral agent |
pantothenic acid | [no description available] | medium | 1 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
cyclizine | [no description available] | medium | 3 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
buclizine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic |
thiopropazate | [no description available] | medium | 1 | 0 | acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
acetrizoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
propylparaben | [no description available] | medium | 1 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
anileridine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; substituted aniline | opioid analgesic; opioid receptor agonist |
ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator; copper chelator |
sulfalene | [no description available] | medium | 1 | 0 | pyrazines; sulfonamide antibiotic; sulfonamide | |
propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
norchlorcyclizine | [no description available] | medium | 1 | 0 | | |
opipramol | [no description available] | medium | 1 | 0 | dibenzoazepine | |
glymidine | [no description available] | medium | 1 | 0 | diether; pyrimidines; sulfonamide | hypoglycemic agent |
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine | [no description available] | medium | 1 | 0 | aromatic amine | |
nandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
thiazolidine-4-carboxylic acid | [no description available] | medium | 1 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
chlorphentermine | [no description available] | medium | 1 | 0 | amphetamines | |
lucanthone | [no description available] | medium | 1 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
dichloralantipyrine | [no description available] | medium | 1 | 0 | | |
methallenestril | [no description available] | medium | 1 | 0 | naphthalenes | |
androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
decamethonium dibromide | [no description available] | medium | 1 | 0 | | |
thiphenamil | [no description available] | medium | 1 | 0 | diarylmethane | |
phenindamine | [no description available] | medium | 1 | 0 | indene | |
2-amino-2-methyl-1-propanol | [no description available] | medium | 1 | 0 | | |
phendimetrazine | [no description available] | medium | 1 | 0 | | |
trimetozine | [no description available] | medium | 1 | 0 | morpholines | |
butaperazine | [no description available] | medium | 1 | 0 | phenothiazines | |
oxolamine | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
ethylestrenol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
dehydroepiandrosterone acetate | [no description available] | medium | 1 | 0 | steroid ester | |
metaxalone | [no description available] | medium | 2 | 0 | aromatic ether | |
spectinomycin | [no description available] | medium | 2 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
paraquat | [no description available] | medium | 3 | 0 | organic cation | geroprotector; herbicide |
clothiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine | |
cephaloglycin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antimicrobial agent |
noxiptilin | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
metocurine | [no description available] | medium | 1 | 0 | isoquinolines | |
clomacran | [no description available] | medium | 2 | 0 | acridines | |
iprindole | [no description available] | medium | 1 | 0 | indoles | |
isometheptene | [no description available] | medium | 1 | 0 | secondary amino compound | |
molindone | [no description available] | medium | 1 | 0 | indoles | |
hexocyclium | [no description available] | medium | 1 | 0 | amine | |
clortermine | [no description available] | medium | 1 | 0 | amphetamines | |
nicofuranose | [no description available] | medium | 1 | 0 | organooxygen compound | |
apazone | [no description available] | medium | 1 | 0 | benzotriazines | non-steroidal anti-inflammatory drug; uricosuric drug |
cloforex | [no description available] | medium | 1 | 0 | amphetamines | |
clobutinol | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
proquazone | [no description available] | medium | 1 | 0 | pyrimidines | |
indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
feprazone | [no description available] | medium | 1 | 0 | organic molecular entity | |
halofantrine | [no description available] | medium | 2 | 0 | phenanthrenes | |
prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
lorcainide | [no description available] | medium | 1 | 0 | acetamides | |
doxofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-asthmatic drug; antitussive; bronchodilator agent |
ziprasidone | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
ceftezole | [no description available] | medium | 1 | 0 | cephalosporin; thiadiazoles | |
hexestrol bis(diethylaminoethyl ether) | [no description available] | medium | 1 | 0 | stilbenoid | |
disobutamide | [no description available] | medium | 1 | 0 | acetamides | |
clociguanil | [no description available] | medium | 2 | 0 | | |
lividomycin | [no description available] | medium | 1 | 0 | lividomycins | metabolite |
gentamicin c1 | [no description available] | medium | 1 | 0 | | |
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide | [no description available] | medium | 1 | 0 | | |
sennoside B | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid; sennosides | |
dimethacrine | [no description available] | medium | 1 | 0 | acridines | |
5-hydroxydopamine | [no description available] | medium | 1 | 0 | catecholamine | |
tazobactam | [no description available] | medium | 1 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
xylose | [no description available] | medium | 1 | 0 | D-xylose | |
clofibride | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
l 694,458 | [no description available] | medium | 1 | 0 | | |
dromostanolone propionate | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid; steroid ester | antineoplastic agent |
bekanamycin | [no description available] | medium | 1 | 0 | kanamycins | |
strychnine | [no description available] | medium | 10 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
hetacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
medigoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | |
dibekacin | [no description available] | medium | 1 | 0 | kanamycins | antibacterial agent; protein synthesis inhibitor |
flavin mononucleotide | [no description available] | medium | 1 | 0 | flavin mononucleotide; vitamin B2 | bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite |
prednisolone hemisuccinate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
nsc 4347 | [no description available] | medium | 1 | 0 | | |
lobeline | [no description available] | medium | 1 | 0 | | |
1,4-benzoquinone guanylhydrazone thiosemicarbazone | [no description available] | medium | 1 | 0 | | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
thiopental | [no description available] | high | 2 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
iodothiouracil | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
bilirubin | [no description available] | medium | 3 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
eprosartan | [no description available] | medium | 4 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ethchlorvynol | [no description available] | medium | 1 | 0 | | |
rokitamycin | [no description available] | medium | 1 | 0 | organic molecular entity | |
triprolidine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
cloprednol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
cyproterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
estropipate | [no description available] | medium | 2 | 0 | piperazinium salt; steroid sulfate | |
hydroxystilbamidine | [no description available] | medium | 1 | 0 | | |
meprednisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
acepreval | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
proscillaridin | [no description available] | medium | 1 | 0 | organic molecular entity | |
stilbamidine | [no description available] | medium | 2 | 0 | | |
zimeldine | [no description available] | medium | 2 | 0 | styrenes | |
abt-770 | [no description available] | medium | 1 | 0 | | |
9-n-(1-propyl)erythromyclamine | [no description available] | medium | 1 | 0 | | |
azacosterol | [no description available] | medium | 1 | 0 | | |
homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
bephenium hydroxynaphthoate | [no description available] | medium | 1 | 0 | | |
viomycin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
aminooxyacetic acid | [no description available] | medium | 1 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
aprindine | [no description available] | medium | 1 | 0 | indanes | |
bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
3,4-dihydroxybenzohydroxamic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
incadronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
nsc 664704 | [no description available] | medium | 1 | 0 | indolobenzazepine; lactam; organobromine compound | cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector |
methoxyamine | [no description available] | medium | 1 | 0 | organooxygen compound | |
olomoucine | [no description available] | medium | 1 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
oxatomide | [no description available] | medium | 1 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
papaverine | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
rabeprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
sulforaphane | [no description available] | medium | 1 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
sterogenol | [no description available] | medium | 1 | 0 | bromide salt; pyridinium salt | antiseptic drug; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; surfactant |
cycloguanil | [no description available] | medium | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
pyrodifenium bromide | [no description available] | medium | 1 | 0 | organic molecular entity | |
amopyroquine | [no description available] | medium | 1 | 0 | | |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
hydroxymaprotilin | [no description available] | medium | 1 | 0 | | |
pinazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
staurosporine | [no description available] | medium | 1 | 0 | indolocarbazole alkaloid; organic heterooctacyclic compound | apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector |
salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
ibandronic acid | [no description available] | medium | 2 | 0 | | |
ursolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
propamidine | [no description available] | medium | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
sinefungin | [no description available] | medium | 1 | 0 | adenosines; non-proteinogenic alpha-amino acid | antifungal agent; antimicrobial agent |
droxicam | [no description available] | medium | 2 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
etofibrate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
zoledronic acid | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
artemether | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
6-amino-1-hydroxyhexane-1,1-diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | |
rexigen | [no description available] | medium | 1 | 0 | | |
tebuquine | [no description available] | medium | 1 | 0 | | |
cryptolepine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
n-hexadecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate | [no description available] | medium | 1 | 0 | | |
desethylchloroquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
wr 159412 | [no description available] | medium | 1 | 0 | | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
tafenoquine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound | |
desethylamodiaquine | [no description available] | medium | 1 | 0 | | |
n,n-dideethylchloroquine | [no description available] | medium | 1 | 0 | | |
3,6-diamino-9-(4-(methylsulfonyl)aminophenyl)aminoacridine | [no description available] | medium | 1 | 0 | | |
ne 58051 | [no description available] | medium | 1 | 0 | | |
wr 242511 | [no description available] | medium | 1 | 0 | | |
olpadronic acid | [no description available] | medium | 1 | 0 | | |
lupeol | [no description available] | medium | 1 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory drug; plant metabolite |
neocryptolepine | [no description available] | medium | 1 | 0 | | |
1-hydroxypentane-1,1-bisphosphonate | [no description available] | medium | 1 | 0 | | |
cimadronate | [no description available] | medium | 1 | 0 | | |
1,1-hydroxyoctanodiphosphonate | [no description available] | medium | 1 | 0 | | |
canaline | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
Tetrahydropiperine | [no description available] | medium | 1 | 0 | benzodioxoles | |
piperine | [no description available] | medium | 1 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
ilepcimide | [no description available] | medium | 1 | 0 | benzodioxoles | |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
quinine | [no description available] | medium | 5 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
alsterpaullone | [no description available] | medium | 1 | 0 | C-nitro compound; caprolactams; organic heterotetracyclic compound | anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor |
usambarensine | [no description available] | medium | 1 | 0 | harmala alkaloid | |
licochalcone a | [no description available] | medium | 1 | 0 | chalcones | |
piperic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; benzodioxoles | plant metabolite |
nifuroxime | [no description available] | medium | 1 | 0 | | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
chlorproguanil | [no description available] | medium | 1 | 0 | dichlorobenzene | |
n1-phenyl-3,5-dinitro-n4,n4-di-n-propylsulfanilamide | [no description available] | medium | 1 | 0 | | |
artenimol | [no description available] | medium | 1 | 0 | | |
4-phenoxyphenoxyethyl thiocyanate | [no description available] | medium | 1 | 0 | | |
deoxoartemisinin | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
3,4,5-trihydroxybenzamidoxime | [no description available] | medium | 1 | 0 | benzenetriol | |
ethylene dichloride | [no description available] | medium | 2 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
ethylene glycol | [no description available] | medium | 2 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
melatonin | [no description available] | medium | 2 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
2,4-dinitrophenol | [no description available] | medium | 2 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
3-methylcholanthrene | [no description available] | medium | 7 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
bithionol | [no description available] | medium | 2 | 0 | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
candesartan | [no description available] | medium | 3 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ciglitazone | [no description available] | medium | 2 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
cromolyn | [no description available] | medium | 2 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
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 |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 2 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fipexide | [no description available] | medium | 3 | 0 | benzodioxoles | |
fluspirilene | [no description available] | medium | 2 | 0 | diarylmethane | |
hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen; schistosomicide drug |
isocarboxazid | [no description available] | medium | 3 | 0 | benzenes | |
meclofenamate sodium anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | |
nocodazole | [no description available] | medium | 2 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
metolazone | [no description available] | medium | 3 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
oxibendazole | [no description available] | medium | 2 | 0 | benzimidazoles; carbamate ester | |
pioglitazone | [no description available] | medium | 3 | 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 |
raloxifene | [no description available] | medium | 3 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
sulfabenzamide | [no description available] | medium | 2 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
tolmetin | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
pirinixic acid | [no description available] | medium | 1 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
oxyphenonium | [no description available] | medium | 2 | 0 | acylcholine | |
isoproterenol hydrochloride | [no description available] | medium | 2 | 0 | catechols | |
promazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
2-acetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
carbon tetrachloride | [no description available] | medium | 5 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
promethazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
acetylcholine chloride | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector; mutagen |
primaquine phosphate | [no description available] | medium | 2 | 0 | | |
chloroform | [no description available] | medium | 3 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
dimethylformamide | [no description available] | medium | 1 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
tromethamine | [no description available] | medium | 5 | 0 | primary amino compound; triol | buffer |
rotenone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
phenothiazine | [no description available] | medium | 2 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
2-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | marine metabolite |
3-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | neurotoxin |
pyridostigmine bromide | [no description available] | medium | 2 | 0 | pyridinium salt | |
4,4'-diaminodiphenylmethane | [no description available] | medium | 2 | 0 | aromatic amine | allergen; carcinogenic agent |
phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen; reagent |
4-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
2-bromoethylamine | [no description available] | medium | 2 | 0 | | |
allyl alcohol | [no description available] | medium | 3 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
bromobenzene | [no description available] | medium | 3 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
imipramine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant |
edrophonium chloride | [no description available] | medium | 2 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
di-n-pentyl phthalate | [no description available] | medium | 2 | 0 | diester; phthalate ester | plasticiser |
phenazopyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 2 | 0 | benzoate ester | |
diphenhydramine hydrochloride | [no description available] | medium | 2 | 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 | 2 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 2 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
hydrazine | [no description available] | medium | 2 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
monocrotaline | [no description available] | medium | 2 | 0 | pyrrolizidine alkaloid | |
pseudoephedrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | plant metabolite |
procarbazine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
lithocholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
amitriptyline hydrochloride | [no description available] | medium | 2 | 0 | organic tricyclic compound | |
1-naphthylisothiocyanate | [no description available] | medium | 5 | 0 | isothiocyanate | insecticide |
isoxsuprine hydrochloride | [no description available] | medium | 2 | 0 | alkylbenzene | |
betaine hydrochloride | [no description available] | medium | 2 | 0 | | |
3-hydroxyacetanilide | [no description available] | medium | 2 | 0 | acetamides; phenols | non-narcotic analgesic |
methoxyacetic acid | [no description available] | medium | 2 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 2 | 0 | hydrochloride | |
pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
ibufenac | [no description available] | medium | 3 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2,3,7,8-tetrachlorodibenzodioxine | [no description available] | medium | 1 | 0 | polychlorinated dibenzodioxine | |
clonidine hydrochloride | [no description available] | medium | 2 | 0 | dichlorobenzene | |
ethylene dimethanesulfonate | [no description available] | medium | 2 | 0 | | |
mexiletine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
beclomethasone dipropionate | [no description available] | medium | 2 | 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 |
metoclopramide hydrochloride | [no description available] | medium | 2 | 0 | | |
carbendazim | [no description available] | medium | 2 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
ethionine | [no description available] | medium | 3 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
disopyramide phosphate | [no description available] | medium | 2 | 0 | organoammonium phosphate | |
butylated hydroxytoluene | [no description available] | medium | 2 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
moricizine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
serentil | [no description available] | medium | 2 | 0 | organosulfonate salt | dopaminergic antagonist; first generation antipsychotic |
propafenone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
carbidopa | [no description available] | medium | 2 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
nonachlazine | [no description available] | medium | 1 | 0 | | |
flecainide acetate | [no description available] | medium | 2 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 2 | 0 | dihydropyridine | geroprotector |
indacrinone | [no description available] | medium | 2 | 0 | | |
butoconazole nitrate | [no description available] | medium | 2 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
fialuridine | [no description available] | medium | 3 | 0 | | |
mitoxantrone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
atomoxetine | [no description available] | medium | 3 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
alpidem | [no description available] | medium | 3 | 0 | imidazoles | |
temafloxacin | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
mibefradil | [no description available] | medium | 3 | 0 | tetralins | T-type calcium channel blocker |
tasosartan | [no description available] | medium | 3 | 0 | biphenyls | |
saquinavir monomethanesulfonate | [no description available] | medium | 2 | 0 | organic molecular entity | |
allyl formate | [no description available] | medium | 2 | 0 | | |
desferrioxamine b mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | antidote; ferroptosis inhibitor; iron chelator |
bupropion hydrochloride | [no description available] | medium | 2 | 0 | aromatic ketone | |
trazodone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 2 | 0 | | |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 2 | 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 | 2 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
dobutamine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 2 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
trimethobenzamide monohydrochloride | [no description available] | medium | 2 | 0 | | |
amiloride hydrochloride | [no description available] | medium | 2 | 0 | hydrate | diuretic; sodium channel blocker |
econazole nitrate | [no description available] | medium | 2 | 0 | | |
lomefloxacin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
flunoxaprofen | [no description available] | medium | 2 | 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 | 2 | 0 | dibenzothiazepine; monocarboxylic acid; organochlorine compound | |
loperamide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
grepafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | | |
chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
orphenadrine citrate | [no description available] | medium | 2 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
ketorolac tromethamine | [no description available] | medium | 2 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 2 | 0 | pyrrolidines | |
phentolamine mesylate | [no description available] | medium | 2 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
1-cyano-2-hydroxy-3-butene | [no description available] | medium | 1 | 0 | secondary alcohol | |
cordium | [no description available] | medium | 2 | 0 | hydrate; hydrochloride | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
nsc-141549 | [no description available] | medium | 2 | 0 | | |
aflatoxin b1 | [no description available] | medium | 3 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
fludrocortisone acetate | [no description available] | medium | 2 | 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 | 2 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
puromycin | [no description available] | medium | 3 | 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 |
(+)-limonene | [no description available] | medium | 2 | 0 | limonene | plant metabolite |
abacavir | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
mometasone furoate | [no description available] | medium | 2 | 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 | 2 | 0 | organic tricyclic compound | geroprotector |
kanamycin sulfate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt | antibacterial drug; geroprotector |
paromomycin sulfate | [no description available] | medium | 2 | 0 | | |
chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
calcium pantothenate | [no description available] | medium | 2 | 0 | polymer | |
maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
cyanoginosin lr | [no description available] | medium | 2 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
arsenic trioxide | [no description available] | medium | 3 | 0 | arsenic oxide | antineoplastic agent; insecticide |
idarubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
carbenoxolone sodium | [no description available] | medium | 2 | 0 | triterpenoid | |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
retinol palmitate | [no description available] | medium | 2 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
vitamin d 2 | [no description available] | medium | 3 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
timolol maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 2 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 2 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 2 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 2 | 0 | ergoline alkaloid | geroprotector |
estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid; steroid glucosiduronic acid | |
cis-flupenthixol dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
phenoxybenzamine hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
octylmethoxycinnamate | [no description available] | medium | 2 | 0 | cinnamate ester | |
vinblastine sulfate | [no description available] | medium | 2 | 0 | | |
trientine hydrochloride | [no description available] | medium | 3 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 2 | 0 | hydrate; hydrobromide | |
fenoterol | [no description available] | medium | 2 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
enclomiphene citrate | [no description available] | medium | 1 | 0 | | |
diphenoxylate hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidiarrhoeal drug |
ergonovine maleate | [no description available] | medium | 2 | 0 | maleate salt | diagnostic agent; oxytocic |
ursodoxicoltaurine | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
molindone hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
clindamycin hydrochloride | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
quinine sulfate | [no description available] | medium | 2 | 0 | hydrate | |
cefotiam hydrochloride | [no description available] | medium | 2 | 0 | | |
potassium aminobenzoate | [no description available] | medium | 2 | 0 | | |
methicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
nafcillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
penicillin g sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 2 | 0 | organic sodium salt | antibacterial drug |
cephapirin sodium | [no description available] | medium | 2 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 2 | 0 | organic sodium salt | |
dicloxacillin sodium | [no description available] | medium | 2 | 0 | hydrate | |
azlocillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
isoxicam | [no description available] | medium | 2 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
chlortetracycline hydrochloride | [no description available] | medium | 2 | 0 | | |
methacycline monohydrochloride | [no description available] | medium | 2 | 0 | | |
minocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 2 | 0 | | |
citrovorum factor | [no description available] | medium | 3 | 0 | tetrahydrofolic acid | |
4-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | allergen; metabolite |
telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
n-pentanoic acid | [no description available] | medium | 1 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
tolrestat | [no description available] | medium | 2 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
cox 189 | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
lapatinib | [no description available] | medium | 2 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
taurolithocholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
2-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
4-cymene | [no description available] | medium | 1 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
carvacrol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
3-isopropylphenol | [no description available] | medium | 1 | 0 | | |
alaproclate | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
bethanechol | [no description available] | medium | 1 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
cilostazol | [no description available] | medium | 1 | 0 | lactam; tetrazoles | anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
fluorescite | [no description available] | medium | 1 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
hydroxychloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
mecamylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
metaproterenol | [no description available] | medium | 1 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
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 |
nadolol | [no description available] | medium | 1 | 0 | tetralins | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
oxybutynin | [no description available] | medium | 1 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
procyclidine | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
pyridostigmine | [no description available] | medium | 1 | 0 | pyridinium ion | |
quetiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
ropinirole | [no description available] | medium | 1 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
trihexyphenidyl | [no description available] | medium | 2 | 0 | amine | |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
zaleplon | [no description available] | medium | 1 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
cysteine | [no description available] | medium | 1 | 0 | cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite |
edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
mepazine | [no description available] | medium | 1 | 0 | phenothiazines | |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
mebanazine | [no description available] | medium | 1 | 0 | benzenes | |
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 |
perflutren | [no description available] | medium | 1 | 0 | fluoroalkane; fluorocarbon | |
fluoxymesterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
brompheniramine | [no description available] | medium | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
diethylpropion | [no description available] | medium | 1 | 0 | aromatic ketone; tertiary amine | appetite depressant |
benzonatate | [no description available] | medium | 1 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
galantamine | [no description available] | medium | 1 | 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 |
4-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
dimenhydrinate | [no description available] | medium | 2 | 0 | diarylmethane | |
sulfanilylurea | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
pamabrom | [no description available] | medium | 1 | 0 | | |
diphenoxylate | [no description available] | medium | 1 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
dexbrompheniramine | [no description available] | medium | 1 | 0 | brompheniramine | anti-allergic agent; H1-receptor antagonist |
megestrol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
methenamine hippurate | [no description available] | medium | 1 | 0 | N-acylglycine | |
sodium thiosulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
clemastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 1 | 0 | | |
fludrocortisone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid | adrenergic agent; anti-inflammatory drug |
clometacin | [no description available] | medium | 1 | 0 | N-acylindole | |
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 |
vecuronium | [no description available] | medium | 1 | 0 | acetate ester; androstane; quaternary ammonium ion | drug allergen; muscle relaxant; neuromuscular agent; nicotinic antagonist |
exifone | [no description available] | medium | 1 | 0 | benzophenones | |
mefloquine | [no description available] | medium | 1 | 0 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol | antimalarial |
nitazoxanide | [no description available] | medium | 1 | 0 | benzamides; carboxylic ester | |
acarbose | [no description available] | medium | 1 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
balsalazide | [no description available] | medium | 1 | 0 | | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
aromasil | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
aripiprazole | [no description available] | medium | 1 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
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 |
tirofiban | [no description available] | medium | 1 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
plerixafor | [no description available] | medium | 1 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
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 |
histamine phosphate | [no description available] | medium | 1 | 0 | phosphate salt | histamine agonist |
tilbroquinol | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
acamprosate | [no description available] | medium | 1 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
hp 873 | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
doripenem | [no description available] | medium | 1 | 0 | carbapenems | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 1 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
bexarotene | [no description available] | medium | 1 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
valdecoxib | [no description available] | medium | 1 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
desloratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
tamsulosin | [no description available] | medium | 1 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
fosamprenavir | [no description available] | medium | 1 | 0 | sulfonamide | prodrug |
febuxostat | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
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 |
10-propargyl-10-deazaaminopterin | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
pralnacasan | [no description available] | medium | 1 | 0 | | |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 1 | 0 | isoquinolines | |
dexmethylphenidate | [no description available] | medium | 1 | 0 | methyl phenyl(piperidin-2-yl)acetate | adrenergic agent |
cinacalcet | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
lubiprostone | [no description available] | medium | 1 | 0 | | |
telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
varenicline | [no description available] | medium | 1 | 0 | | |
fiduxosin | [no description available] | medium | 1 | 0 | | |
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 |
etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic ether; dinitrile; organobromine compound | antiviral agent; HIV-1 reverse transcriptase inhibitor |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
ramelteon | [no description available] | medium | 1 | 0 | indanes | |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
tolvaptan | [no description available] | medium | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
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 |
lenalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
lacosamide | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
vincaleukoblastine | [no description available] | medium | 1 | 0 | acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite |
pancuronium | [no description available] | medium | 2 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
miglitol | [no description available] | medium | 1 | 0 | piperidines | |
linezolid | [no description available] | medium | 1 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
clindamycin phosphate | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
octreotide | [no description available] | medium | 1 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
posaconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
sr 90107 | [no description available] | medium | 1 | 0 | | |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
thyrotropin-releasing hormone | [no description available] | medium | 1 | 0 | peptide hormone; tripeptide | human metabolite |
arginine vasopressin | [no description available] | medium | 1 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
s 1033 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
pyrantel | [no description available] | medium | 1 | 0 | 1,4,5,6-tetrahydropyrimidines; carboxamidine; thiophenes | antinematodal drug |
eszopiclone | [no description available] | medium | 1 | 0 | zopiclone | central nervous system depressant; sedative |
cancidas | [no description available] | medium | 1 | 0 | | |
ranitidine | [no description available] | medium | 2 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
aplaviroc | [no description available] | medium | 1 | 0 | | |
maraviroc | [no description available] | medium | 1 | 0 | tropane alkaloid | |
nelarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
dermatan sulfate | [no description available] | medium | 1 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
fospropofol | [no description available] | medium | 1 | 0 | alkylbenzene | |
rasagiline | [no description available] | medium | 1 | 0 | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent |
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 |
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 |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 1 | 0 | | |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
nabilone | [no description available] | medium | 1 | 0 | | |
oxycodone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
vitamin k 1 | [no description available] | medium | 1 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
trospium chloride | [no description available] | medium | 1 | 0 | | |
benzphetamine | [no description available] | medium | 1 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
dexmedetomidine | [no description available] | medium | 1 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 1 | 0 | organic molecular entity | |
nateglinide | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
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 |
levorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
verteporfin | [no description available] | medium | 1 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
pafuramidine | [no description available] | medium | 1 | 0 | | |
pregabalin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
alvimopan anhydrous | [no description available] | medium | 1 | 0 | peptide | |
aliskiren | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
rifaximin | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
everolimus | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
etonogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin |
temsirolimus | [no description available] | medium | 1 | 0 | macrolide lactam | |
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 |
bibx 1382bs | [no description available] | medium | 1 | 0 | substituted aniline | |
fesoterodine | [no description available] | medium | 1 | 0 | diarylmethane | |
gemifloxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
dexlansoprazole | [no description available] | medium | 1 | 0 | benzimidazoles; sulfoxide | |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
pazopanib | [no description available] | medium | 1 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
bivalirudin | [no description available] | medium | 1 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
enfuvirtide | [no description available] | medium | 1 | 0 | | |
ganirelix | [no description available] | medium | 1 | 0 | polypeptide | |
teriparatide | [no description available] | medium | 1 | 0 | polypeptide | |
salmon calcitonin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone; polypeptide | bone density conservation agent; metabolite |
ly-146032 | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide | [no description available] | medium | 1 | 0 | polypeptide | |
exenatide | [no description available] | medium | 1 | 0 | | |
sodium lactate | [no description available] | medium | 1 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
sodium iothalamate | [no description available] | medium | 1 | 0 | | |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
raltegravir | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
tigecycline | [no description available] | medium | 1 | 0 | | |
fertinex | [no description available] | medium | 1 | 0 | | |
vardenafil | [no description available] | medium | 1 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
rifapentine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
bl 4162a | [no description available] | medium | 1 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
valganciclovir | [no description available] | medium | 1 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
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 |
fosaprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; phosphoramide; triazoles | antiemetic; neurokinin-1 receptor antagonist; prodrug |
levomefolate calcium | [no description available] | medium | 1 | 0 | organic calcium salt | antidepressant |
5-phenylhydantoin, (+-)-isomer | [no description available] | medium | 1 | 0 | | |
5-benzylhydantoin | [no description available] | medium | 1 | 0 | | |
gallic acid | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
nadp | [no description available] | medium | 2 | 0 | | |
limestone | [no description available] | medium | 1 | 1 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
pentylenetetrazole | [no description available] | medium | 50 | 2 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
cyanates | [no description available] | medium | 1 | 0 | | |
imidazole | [no description available] | medium | 3 | 0 | imidazole | |
neostigmine | [no description available] | medium | 2 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
1-propanol | [no description available] | medium | 2 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
oxazolidine | [no description available] | medium | 8 | 0 | oxazolidine | |
oxazoles | [no description available] | medium | 107 | 2 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
diphenyl | [no description available] | medium | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
cortisone | [no description available] | medium | 2 | 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 |
bemegride | [no description available] | medium | 7 | 0 | piperidones | |
barbituric acid | [no description available] | medium | 1 | 0 | barbiturates | allergen; xenobiotic |
ammonium chloride | [no description available] | medium | 1 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
oxazolidin-2-one | [no description available] | medium | 7 | 0 | carbamate ester; oxazolidinone | metabolite |
fluorides | [no description available] | medium | 2 | 0 | halide anion; monoatomic fluorine | |
phosphorus | [no description available] | medium | 2 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
fluorophosphate | [no description available] | medium | 1 | 0 | fluorine molecular entity; phosphoric acid derivative | |
3,3-diethyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; geroprotector |
aldicarb | [no description available] | medium | 1 | 0 | | |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
ubiquinone | [no description available] | medium | 1 | 0 | | |
euk-134 | [no description available] | medium | 1 | 0 | | |
tocotrienols | [no description available] | medium | 1 | 0 | diterpenoid | |
salicylates | [no description available] | medium | 2 | 0 | monohydroxybenzoate | plant metabolite |
stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
n,n'-bis(salicylideneamino)ethane-manganese(ii) | [no description available] | medium | 1 | 0 | | |
picrotoxin | [no description available] | medium | 8 | 0 | | |
tremorine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine | |
bromide | [no description available] | medium | 3 | 0 | halide anion; monoatomic bromine | |
mephenesin | [no description available] | medium | 3 | 0 | aromatic ether; glycerol ether | |
cobalt | [no description available] | medium | 3 | 0 | cobalt group element atom; metal allergen | micronutrient |
phenyl acetate | [no description available] | medium | 5 | 0 | benzenes; phenyl acetates | |
cyclazocine | [no description available] | medium | 1 | 0 | | |
bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
carbamates | [no description available] | medium | 2 | 0 | amino-acid anion | |
paraldehyde | [no description available] | medium | 2 | 0 | trioxane | sedative |
carbonic acid | [no description available] | medium | 1 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
enkephalin, leucine | [no description available] | medium | 2 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
chlorine | [no description available] | medium | 3 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
heroin | [no description available] | medium | 2 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
lithium | [no description available] | medium | 7 | 0 | alkali metal atom | |
gold | [no description available] | medium | 2 | 0 | copper group element atom; elemental gold | |
cephalosporin c | [no description available] | medium | 1 | 0 | cephalosporin | fungal metabolite |
lithium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; lithium salt | antimanic drug |
sodium sulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
magnesium sulfate | [no description available] | medium | 1 | 0 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
kainic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
3-bromophenylsuccinimide | [no description available] | medium | 1 | 0 | | |
taurine | [no description available] | medium | 2 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
2-ethyl-2-methyl-4-butyrolactone | [no description available] | medium | 1 | 0 | gamma-lactone | |
succinonitrile | [no description available] | medium | 1 | 0 | | |
tetramethylsuccinonitrile | [no description available] | medium | 1 | 0 | | |
cyanides | [no description available] | medium | 2 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
thiosulfates | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
obidoxime chloride | [no description available] | medium | 1 | 0 | | |
glucaric acid | [no description available] | medium | 1 | 0 | glucaric acid | antineoplastic agent |
galactosamine | [no description available] | medium | 3 | 0 | D-galactosamine; primary amino compound | toxin |
pyrroles | [no description available] | medium | 1 | 0 | pyrrole; secondary amine | |
pyrimidinones | [no description available] | medium | 1 | 0 | | |
e 5110 | [no description available] | medium | 1 | 0 | | |
e 6123 | [no description available] | medium | 1 | 0 | | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
1,7-dimethylxanthine | [no description available] | medium | 1 | 0 | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
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 |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
phenylethylmalonamide | [no description available] | medium | 1 | 0 | amine | |
thromboxanes | [no description available] | medium | 1 | 0 | | |
bicuculline | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
valerates | [no description available] | medium | 1 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
cholecystokinin | [no description available] | medium | 4 | 0 | | |
piperidines | [no description available] | medium | 4 | 1 | | |
glutarimide | [no description available] | medium | 1 | 0 | dicarboximide; piperidones | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
clorazepate dipotassium | [no description available] | medium | 1 | 0 | potassium salt | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
hydrogen carbonate | [no description available] | medium | 3 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
diethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
indocyanine green | [no description available] | medium | 2 | 1 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
isosafrole | [no description available] | medium | 1 | 0 | benzodioxoles | |
safrole | [no description available] | medium | 1 | 0 | benzodioxoles | flavouring agent; insecticide; metabolite; plant metabolite |
chlorodiphenyl (54% chlorine) | [no description available] | medium | 1 | 0 | | |
beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
pentazocine | [no description available] | medium | 1 | 0 | benzazocine | |
sodium oxybate | [no description available] | medium | 2 | 0 | | |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
roxatidine acetate | [no description available] | medium | 1 | 1 | piperidines | |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
thiazoles | [no description available] | medium | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate | [no description available] | medium | 1 | 0 | | |
picrotoxinin | [no description available] | medium | 1 | 0 | | |
ro 5-3663 | [no description available] | medium | 1 | 0 | | |
veratridine | [no description available] | medium | 1 | 0 | | |
5-methoxytryptamine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
muscone | [no description available] | medium | 1 | 0 | | |
proadifen | [no description available] | medium | 1 | 0 | diarylmethane | |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
ouabain | [no description available] | medium | 2 | 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 |
tetrodotoxin | [no description available] | medium | 1 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
5-hydroxytryptophan | [no description available] | medium | 3 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
chlorine | [no description available] | medium | 1 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
dibenzylchlorethamine | [no description available] | medium | 1 | 0 | | |
hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
methylthiouracil | [no description available] | medium | 1 | 0 | pyrimidone | |
iodine | [no description available] | medium | 1 | 0 | halide anion; monoatomic iodine | human metabolite |
vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
pituitrin | [no description available] | medium | 1 | 0 | | |
glucagon | [no description available] | medium | 1 | 0 | peptide hormone | |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
methionine sulfoximine | [no description available] | medium | 1 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
aluminum | [no description available] | medium | 1 | 0 | boron group element atom; elemental aluminium; metal atom | |
chloralose | [no description available] | medium | 1 | 1 | | |
copper gluconate | [no description available] | medium | 1 | 0 | organic molecular entity | |
phosphocreatine | [no description available] | medium | 2 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
glycogen | [no description available] | medium | 1 | 0 | | |
chlorisondamine | [no description available] | medium | 1 | 0 | isoindoles | |
chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
dihydroxyphenylalanine | [no description available] | medium | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
chlordan | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist; persistent organic pollutant |
tungsten | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
alloxan | [no description available] | medium | 1 | 0 | pyrimidone | hyperglycemic agent; metabolite |
4-methoxyamphetamine | [no description available] | medium | 2 | 0 | | |
eye | [no description available] | medium | 1 | 0 | | |
fomesafen | [no description available] | medium | 3 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
isomethyleugenol | [no description available] | medium | 3 | 0 | isomethyleugenol | |
humulene | [no description available] | medium | 3 | 0 | alpha-humulene | |
sodium ethylxanthate | [no description available] | medium | 1 | 0 | | |
thioctic acid | [no description available] | low | 0 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
oxaloacetic acid | [no description available] | low | 0 | 0 | C4-dicarboxylic acid; oxo dicarboxylic acid | geroprotector; metabolite |
spermidine | [no description available] | low | 0 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | low | 0 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
mercaptoethanol | [no description available] | low | 0 | 0 | alkanethiol; primary alcohol | geroprotector |
3,4-dichloroisocoumarin | [no description available] | low | 0 | 0 | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
cgp 52411 | [no description available] | low | 0 | 0 | phthalimides | geroprotector; tyrosine kinase inhibitor |
4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
ag 1295 | [no description available] | low | 0 | 0 | quinoxaline derivative | geroprotector |
rtki cpd | [no description available] | low | 0 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
tyrphostin a1 | [no description available] | low | 0 | 0 | methoxybenzenes | geroprotector |
berberine | [no description available] | low | 0 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | low | 0 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
ethoxyquin | [no description available] | low | 0 | 0 | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
juglone | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
kinetin | [no description available] | low | 0 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
methiothepin | [no description available] | low | 0 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
pd 98059 | [no description available] | low | 0 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
ag 1879 | [no description available] | low | 0 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
resveratrol | [no description available] | low | 0 | 0 | polyphenol; resorcinols; stilbenol | antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin |
tyrphostin a9 | [no description available] | low | 0 | 0 | alkylbenzene | geroprotector |
trehalose | [no description available] | low | 0 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
naphthazarin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid; monocarboxylic acid | apoptosis inducer; geroprotector; marine metabolite |
2-(2'-hydroxyphenyl)benzoxazole | [no description available] | low | 0 | 0 | 1,3-benzoxazoles; phenols | geroprotector |
ethidium bromide | [no description available] | low | 0 | 0 | organic bromide salt | geroprotector; intercalator; trypanocidal drug |
thioflavin t | [no description available] | low | 0 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
2-(2-hydroxyphenyl)benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles; phenols | geroprotector |
metergoline | [no description available] | low | 0 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
pergolide mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
doxazosin mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | geroprotector |
epigallocatechin gallate | [no description available] | low | 0 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
pyrrolidine dithiocarbamate | [no description available] | low | 0 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
thioridazine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
mianserin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector |
alfatradiol | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
loxapine succinate | [no description available] | low | 0 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | low | 0 | 0 | acetamides | geroprotector |
amperozide | [no description available] | low | 0 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
amperozide hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
2-(1H-benzimidazol-2-yl)aniline | [no description available] | low | 0 | 0 | benzimidazoles; primary arylamine; substituted aniline | geroprotector |
methionine sulfoximine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector |
thiazolidine-4-carboxylic acid, (r)-isomer | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid; thioproline | geroprotector; metabolite |
paxilline | [no description available] | low | 0 | 0 | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
catechin | [no description available] | low | 0 | 0 | hydrate | geroprotector |
nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
fullerene c60 | [no description available] | low | 0 | 0 | fullerene | geroprotector |
oxoline | [no description available] | low | 0 | 0 | aromatic ketone; tetralins | geroprotector |
sb 203580 | [no description available] | low | 0 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
latrepirdine | [no description available] | low | 0 | 0 | methylpyridines; pyridoindole | geroprotector |
wortmannin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound | anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent |
lithium chloride | [no description available] | low | 0 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
theanine | [no description available] | low | 0 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
nicotinamide-beta-riboside | [no description available] | low | 0 | 0 | N-glycosylnicotinamide; pyridine nucleoside | geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite |
vinpocetine | [no description available] | low | 0 | 0 | alkaloid | geroprotector |
dihydroergocristine monomesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
trichostatin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
fumaric acid | [no description available] | low | 0 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | low | 0 | 0 | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
isoliquiritigenin | [no description available] | low | 0 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
3,3',4,5'-tetrahydroxystilbene | [no description available] | low | 0 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
caffeic acid | [no description available] | low | 0 | 0 | caffeic acid | geroprotector; mouse metabolite |
curcumin | [no description available] | low | 0 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | low | 0 | 0 | C-nitro compound; sulfonamide; toluenes | bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector |
brl 15572 | [no description available] | low | 0 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
ly 367265 | [no description available] | low | 0 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
sodium butyrate | [no description available] | low | 0 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
quercetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
quercetin 3-o-glucopyranoside | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
kaempferol | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
genistein | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
butein | [no description available] | low | 0 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
baicalein | [no description available] | low | 0 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
fisetin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
myricetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
polydatin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
chicoric acid | [no description available] | low | 0 | 0 | organooxygen compound | geroprotector; HIV-1 integrase inhibitor |
rosmarinic acid | [no description available] | low | 0 | 0 | rosmarinic acid | geroprotector; plant metabolite |
ellagic acid | [no description available] | low | 0 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
n-oleoylethanolamine | [no description available] | low | 0 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
kn 93 | [no description available] | low | 0 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
10-hydroxy-2-decenoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; hydroxy monounsaturated fatty acid; omega-hydroxy-medium-chain fatty acid; straight-chain fatty acid | animal metabolite; geroprotector |
ag-490 | [no description available] | low | 0 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
methyl 2,5-dihydroxycinnamate | [no description available] | low | 0 | 0 | cinnamate ester; hydroquinones; methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite |
3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one | [no description available] | low | 0 | 0 | coumarins | geroprotector |
l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
b 43 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether; benzenes; psoralens | geroprotector; immunosuppressive agent; potassium channel blocker |
n,n'-dibenzhydrylethane-1,2-diamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride | geroprotector; metabotropic glutamate receptor agonist; neuroprotective agent |
trametinib | [no description available] | low | 0 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines | geroprotector; P450 inhibitor |
lfm a13 | [no description available] | low | 0 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
chromium tripicolinate | [no description available] | low | 0 | 0 | chromium coordination entity | anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical |
vanillin | [no description available] | low | 0 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
tramiprosate | [no description available] | low | 0 | 0 | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
nordazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
palmidrol | [no description available] | low | 0 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
androsterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether; benzoxazole | antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite |
tricaprylin | [no description available] | low | 0 | 0 | octanoate ester; triglyceride | anticonvulsant; plant metabolite |
decan-4-olide | [no description available] | low | 0 | 0 | gamma-lactone; tetrahydrofuranone | anticonvulsant; flavouring agent; food additive |
sodium selenate | [no description available] | low | 0 | 0 | inorganic sodium salt | anticonvulsant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; fertilizer |
didesethylflurazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound | anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative |
midazolam hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
mk 458 | [no description available] | low | 0 | 0 | hydrochloride | anticonvulsant; antiparkinson drug; dopamine agonist |
naxagolide | [no description available] | low | 0 | 0 | organic heterotricyclic compound; phenols; tertiary amino compound | anticonvulsant; antiparkinson drug; dopamine agonist |
glutaurine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid | anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite |
tiagabine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anticonvulsant; GABA reuptake inhibitor |
zofenopril | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester | anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent |
palmitone | [no description available] | low | 0 | 0 | dialkyl ketone | anticonvulsant; metabolite |
10-hydroxycarbamazepine | [no description available] | low | 0 | 0 | carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen; sodium channel blocker |
ezogabine | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
eslicarbazepine acetate | [no description available] | low | 0 | 0 | acetate ester; carboxamide; dibenzoazepine; ureas | anticonvulsant; drug allergen |
dizocilpine | [no description available] | low | 0 | 0 | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
solasodine | [no description available] | low | 0 | 0 | alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid | anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent |
L-cycloserine | [no description available] | low | 0 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
alpha-asarone | [no description available] | low | 0 | 0 | asarone | anticonvulsant; GABA modulator |
zofenoprilate | [no description available] | low | 0 | 0 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thiol | anticonvulsant; apoptosis inhibitor; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
acacetin | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
dizocilpine maleate | [no description available] | low | 0 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
sdz eaa 494 | [no description available] | low | 0 | 0 | monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound | anticonvulsant; neuroprotective agent; NMDA receptor antagonist |
ro 25-6981 | [no description available] | low | 0 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
ucb 34714 | [no description available] | low | 0 | 0 | gamma-lactam; non-proteinogenic amino acid derivative | anticonvulsant |
perampanel | [no description available] | low | 0 | 0 | bipyridines; nitrile; pyridone | AMPA receptor antagonist; anticonvulsant |
arachidonoylserotonin | [no description available] | low | 0 | 0 | N-acylserotonin; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule |
meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | 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 |
toloxatone | [no description available] | low | 0 | 0 | oxazolidinone; primary alcohol; toluenes | |
vinclozolin | [no description available] | low | 0 | 0 | dicarboximide; dichlorobenzene; olefinic compound; oxazolidinone | |
dichlozolinate | [no description available] | low | 0 | 0 | dicarboximide; dichlorobenzene; ethyl ester; oxazolidinone | |
oxadixyl | [no description available] | low | 0 | 0 | anilide fungicide; aromatic amide; carbohydrazide; ether; oxazolidinone | agrochemical |
3-amino-2-oxazolidinone | [no description available] | low | 0 | 0 | oxazolidinone | |
3-isoxazolidone | [no description available] | low | 0 | 0 | oxazolidinone | |
famoxadone | [no description available] | low | 0 | 0 | aromatic ether; carbohydrazide; oxazolidinone | |
2-oxa-4-azatetracyclo[6.3.1.16,10.01,5]tridecan-3-one | [no description available] | low | 0 | 0 | oxazolidinone | |
3-amino-5-morpholinomethyl-2-oxazolidinone | [no description available] | low | 0 | 0 | morpholines; oxazolidinone | marine xenobiotic metabolite; xenobiotic metabolite |
rivaroxaban | [no description available] | low | 0 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
tedizolid | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles | antimicrobial agent; drug metabolite; protein synthesis inhibitor |
tedizolid phosphate | [no description available] | low | 0 | 0 | carbamate ester; organofluorine compound; oxazolidinone; phosphate monoester; pyridines; tetrazoles | antimicrobial agent; prodrug; protein synthesis inhibitor |