Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
racepinephrine | [no description available] | medium | 1 | 0 | catecholamine | |
isoproterenol | [no description available] | high | 339 | 29 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isoproterenol | [no description available] | high | 339 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
metaproterenol | [no description available] | high | 121 | 29 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metaproterenol | [no description available] | high | 121 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
deterenol | [no description available] | medium | 3 | 0 | | |
albuterol | [no description available] | high | 402 | 106 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
albuterol | [no description available] | high | 402 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alprenolol | [no description available] | medium | 27 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
cgp 12177 | [no description available] | medium | 16 | 0 | aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
clenbuterol | [no description available] | high | 50 | 5 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clenbuterol | [no description available] | high | 50 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
berotek | [no description available] | high | 112 | 30 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
berotek | [no description available] | high | 112 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
pindolol | [no description available] | medium | 38 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pindolol | [no description available] | medium | 38 | 3 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
practolol | [no description available] | medium | 56 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
practolol | [no description available] | medium | 56 | 8 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
pronethalol | [no description available] | medium | 3 | 0 | naphthalenes | |
sotalol | [no description available] | medium | 21 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sotalol | [no description available] | medium | 21 | 1 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
tulobuterol | [no description available] | medium | 130 | 0 | organochlorine compound | |
tulobuterol | [no description available] | medium | 130 | 42 | organochlorine compound | |
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol | [no description available] | medium | 1 | 0 | catechols | |
nifenalol | [no description available] | medium | 2 | 0 | C-nitro compound | |
toliprolol | [no description available] | medium | 2 | 0 | aromatic ether | |
dexpropranolol | [no description available] | medium | 1 | 0 | propranolol | |
colterol | [no description available] | medium | 5 | 0 | catechols; ethanolamines; secondary alcohol; secondary amino compound; triol | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent |
timolol | [no description available] | medium | 27 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
prenalterol | [no description available] | medium | 40 | 0 | aromatic ether | |
prenalterol | [no description available] | medium | 40 | 8 | aromatic ether | |
dihydroalprenolol | [no description available] | medium | 14 | 0 | | |
L-isoprenaline | [no description available] | high | 1 | 0 | catecholamine; phenylethanolamines | beta-adrenergic agonist; sympathomimetic agent |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
benzyl alcohol | [no description available] | medium | 3 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
naphthalene | [no description available] | medium | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
phenol | [no description available] | medium | 2 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
betaxolol | [no description available] | medium | 12 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
resorcinol | [no description available] | medium | 2 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
salicyl alcohol | [no description available] | medium | 2 | 0 | aromatic primary alcohol; hydroxybenzyl alcohol | human urinary metabolite |
salicylamide | [no description available] | medium | 2 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene; nitrobenzenes | |
benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
n-propylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
3-xylene | [no description available] | medium | 1 | 0 | xylene | |
chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
sec-butylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
propranolol hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
cyclopropylbenzene | [no description available] | medium | 1 | 0 | | |
procaterol | [no description available] | medium | 12 | 0 | quinolines | |
procaterol | [no description available] | medium | 12 | 1 | quinolines | |
coumarin | [no description available] | medium | 3 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
salicylic acid | [no description available] | medium | 9 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
theophylline | [no description available] | high | 190 | 54 | 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 |
theophylline | [no description available] | high | 190 | 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 |
aspirin | [no description available] | medium | 21 | 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 |
aspirin | [no description available] | medium | 21 | 1 | 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 |
atenolol | [no description available] | medium | 58 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
atenolol | [no description available] | medium | 58 | 11 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
verapamil | [no description available] | medium | 36 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
imipramine | [no description available] | medium | 19 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
metoprolol | [no description available] | medium | 80 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metoprolol | [no description available] | medium | 80 | 18 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
propranolol | [no description available] | medium | 189 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propranolol | [no description available] | medium | 189 | 16 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
sulfasalazine | [no description available] | medium | 17 | 0 | | |
sulpiride | [no description available] | medium | 13 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
corticosterone | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
chloramphenicol | [no description available] | medium | 22 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
olsalazine | [no description available] | medium | 10 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
cephalexin | [no description available] | medium | 11 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
diltiazem | [no description available] | medium | 17 | 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 |
ceftriaxone | [no description available] | medium | 12 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
guanabenz | [no description available] | medium | 6 | 0 | dichlorobenzene | |
warfarin | [no description available] | medium | 16 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
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 |
antipyrine | [no description available] | medium | 20 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
antipyrine | [no description available] | medium | 20 | 1 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
carbamazepine | [no description available] | medium | 13 | 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 |
furosemide | [no description available] | medium | 34 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
furosemide | [no description available] | medium | 34 | 1 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
hydrochlorothiazide | [no description available] | medium | 18 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
levodopa | [no description available] | medium | 12 | 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 |
leucine | [no description available] | medium | 6 | 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 |
amoxicillin | [no description available] | medium | 17 | 0 | penicillin allergen; penicillin | antibacterial drug |
methyldopa | [no description available] | medium | 16 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
methyldopa | [no description available] | medium | 16 | 1 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
naproxen | [no description available] | medium | 15 | 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 |
dexketoprofen | [no description available] | medium | 1 | 0 | benzophenones; monocarboxylic acid | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
enalaprilat anhydrous | [no description available] | medium | 10 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
xu 62-320 | [no description available] | medium | 1 | 0 | | |
piroxicam | [no description available] | medium | 13 | 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 |
desipramine | [no description available] | medium | 19 | 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 |
foscarnet | [no description available] | medium | 8 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
ketoprofen | [no description available] | medium | 19 | 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 |
oxprenolol | [no description available] | medium | 12 | 0 | aromatic ether | |
oxprenolol | [no description available] | medium | 12 | 2 | aromatic ether | |
tranexamic acid | [no description available] | medium | 7 | 0 | amino acid | |
mannitol | [no description available] | medium | 19 | 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 |
mannitol | [no description available] | medium | 19 | 1 | 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 |
lactulose | [no description available] | medium | 7 | 0 | glycosylfructose | gastrointestinal drug; laxative |
raffinose | [no description available] | medium | 3 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phenytoin | [no description available] | medium | 13 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
tacrine | [no description available] | medium | 7 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acebutolol | [no description available] | high | 19 | 2 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
acebutolol | [no description available] | high | 19 | 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 | 19 | 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 |
alprazolam | [no description available] | medium | 9 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
amantadine | [no description available] | medium | 10 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
amiodarone | [no description available] | medium | 14 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
amitriptyline | [no description available] | medium | 14 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amlodipine | [no description available] | medium | 10 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
bepridil | [no description available] | medium | 3 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bevantolol | [no description available] | medium | 3 | 0 | propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker |
bisoprolol | [no description available] | medium | 15 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bisoprolol | [no description available] | medium | 15 | 2 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
brotizolam | [no description available] | medium | 3 | 0 | organic molecular entity | |
bumetanide | [no description available] | medium | 19 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
caffeine | [no description available] | medium | 26 | 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 |
caffeine | [no description available] | medium | 26 | 1 | 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 |
carteolol | [no description available] | medium | 4 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carteolol | [no description available] | medium | 4 | 1 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carvedilol | [no description available] | medium | 15 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
carvedilol | [no description available] | medium | 15 | 1 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
chlorambucil | [no description available] | medium | 9 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlordiazepoxide | [no description available] | medium | 10 | 0 | benzodiazepine | |
chloroquine | [no description available] | medium | 12 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorothiazide | [no description available] | medium | 9 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpheniramine | [no description available] | medium | 17 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpheniramine | [no description available] | medium | 17 | 1 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | medium | 20 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpromazine | [no description available] | medium | 20 | 1 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
chlorpropamide | [no description available] | medium | 11 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 8 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cifenline | [no description available] | medium | 5 | 0 | diarylmethane | |
cimetidine | [no description available] | medium | 26 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | medium | 26 | 1 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cisapride | [no description available] | medium | 4 | 0 | benzamides | |
citalopram | [no description available] | medium | 12 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
clobazam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator |
clomipramine | [no description available] | medium | 10 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clonazepam | [no description available] | medium | 5 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clonidine | [no description available] | medium | 30 | 0 | clonidine; imidazoline | |
nordazepam | [no description available] | medium | 6 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
diazepam | [no description available] | medium | 20 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazoxide | [no description available] | high | 14 | 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 |
diclofenac | [no description available] | medium | 15 | 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 |
diflunisal | [no description available] | medium | 7 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
diphenhydramine | [no description available] | medium | 14 | 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 |
disopyramide | [no description available] | medium | 12 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
valproic acid | [no description available] | medium | 10 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
domperidone | [no description available] | medium | 9 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
doxazosin | [no description available] | medium | 4 | 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 | 8 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
ethosuximide | [no description available] | medium | 5 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
etilefrine | [no description available] | medium | 7 | 0 | phenols | |
etodolac | [no description available] | medium | 4 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
felodipine | [no description available] | medium | 15 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenfluramine | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
flecainide | [no description available] | medium | 13 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fluconazole | [no description available] | medium | 13 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flucytosine | [no description available] | medium | 9 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
flumazenil | [no description available] | medium | 10 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
flunitrazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
fluorouracil | [no description available] | medium | 10 | 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 | |
flurbiprofen | [no description available] | medium | 8 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gemfibrozil | [no description available] | medium | 8 | 0 | aromatic ether | antilipemic drug |
glipizide | [no description available] | high | 10 | 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] | high | 14 | 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 |
haloperidol | [no description available] | medium | 14 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hexobarbital | [no description available] | medium | 4 | 0 | barbiturates | |
hydralazine | [no description available] | medium | 12 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydralazine | [no description available] | medium | 12 | 1 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
ibuprofen | [no description available] | medium | 19 | 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 |
lidocaine | [no description available] | medium | 25 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
lidocaine | [no description available] | medium | 25 | 1 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
amrinone | [no description available] | medium | 12 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
indomethacin | [no description available] | medium | 41 | 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 |
indomethacin | [no description available] | medium | 41 | 4 | 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 |
isoniazid | [no description available] | medium | 9 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isradipine | [no description available] | medium | 7 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
ketamine | [no description available] | medium | 11 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketorolac | [no description available] | medium | 9 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
labetalol | [no description available] | medium | 19 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
labetalol | [no description available] | medium | 19 | 2 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lamotrigine | [no description available] | medium | 6 | 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 |
lansoprazole | [no description available] | medium | 11 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lofepramine | [no description available] | medium | 4 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
lorazepam | [no description available] | medium | 9 | 0 | benzodiazepine | |
mabuterol | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes | |
maprotiline | [no description available] | medium | 9 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 7 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
meperidine | [no description available] | medium | 7 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
methadone | [no description available] | medium | 8 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
metoclopramide | [no description available] | medium | 14 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metronidazole | [no description available] | medium | 14 | 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 | 11 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mianserin | [no description available] | medium | 6 | 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 |
midazolam | [no description available] | medium | 13 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
milrinone | [no description available] | medium | 7 | 0 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
mirtazapine | [no description available] | medium | 9 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
moclobemide | [no description available] | medium | 7 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
nabumetone | [no description available] | medium | 4 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nevirapine | [no description available] | medium | 10 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nicardipine | [no description available] | medium | 7 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | high | 38 | 9 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nifedipine | [no description available] | high | 38 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nilvadipine | [no description available] | medium | 1 | 0 | dihydropyridine; isopropyl ester; methyl ester; nitrile | |
nimodipine | [no description available] | medium | 11 | 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 |
nisoldipine | [no description available] | medium | 8 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrazepam | [no description available] | medium | 8 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 14 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nizatidine | [no description available] | medium | 9 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
nortriptyline | [no description available] | medium | 13 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
omeprazole | [no description available] | medium | 13 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 10 | 0 | carbazoles | |
oxaprozin | [no description available] | medium | 4 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxazepam | [no description available] | medium | 10 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
pentoxifylline | [no description available] | medium | 11 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 11 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenobarbital | [no description available] | medium | 14 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenobarbital | [no description available] | medium | 14 | 2 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenolphthalein | [no description available] | medium | 3 | 0 | phenols | |
phenylbutazone | [no description available] | medium | 3 | 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 |
pirenzepine | [no description available] | medium | 5 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
pirenzepine | [no description available] | medium | 5 | 1 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
prazosin | [no description available] | medium | 24 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
primaquine | [no description available] | medium | 9 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
primidone | [no description available] | medium | 5 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probenecid | [no description available] | medium | 12 | 0 | benzoic acids; sulfonamide | uricosuric drug |
probucol | [no description available] | medium | 3 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
procainamide | [no description available] | medium | 15 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
prochlorperazine | [no description available] | medium | 7 | 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 |
procyclidine | [no description available] | medium | 6 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
promethazine | [no description available] | medium | 14 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propafenone | [no description available] | medium | 8 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
protriptyline | [no description available] | medium | 3 | 0 | carbotricyclic compound | antidepressant |
raloxifene | [no description available] | medium | 2 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
ranitidine | [no description available] | medium | 17 | 0 | aralkylamine | |
riluzole | [no description available] | medium | 4 | 0 | benzothiazoles | |
risperidone | [no description available] | medium | 12 | 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 |
sulfadiazine | [no description available] | medium | 10 | 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 |
sulfamethoxazole | [no description available] | medium | 9 | 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 |
sulfinpyrazone | [no description available] | medium | 5 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
sulfisoxazole | [no description available] | medium | 7 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sumatriptan | [no description available] | medium | 13 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
temazepam | [no description available] | medium | 3 | 0 | benzodiazepine | |
terazosin | [no description available] | medium | 9 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
thioridazine | [no description available] | medium | 5 | 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 |
tizanidine | [no description available] | medium | 9 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolbutamide | [no description available] | medium | 13 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
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 |
ultram | [no description available] | medium | 9 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trazodone | [no description available] | medium | 10 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triamterene | [no description available] | medium | 10 | 0 | pteridines | diuretic; sodium channel blocker |
triamterene | [no description available] | medium | 10 | 1 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 7 | 0 | triazolobenzodiazepine | sedative |
trimethoprim | [no description available] | medium | 18 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
urapidil | [no description available] | medium | 7 | 0 | piperazines | |
venlafaxine | [no description available] | medium | 12 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
prednisolone | [no description available] | medium | 34 | 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 |
prednisolone | [no description available] | medium | 34 | 4 | 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 |
spironolactone | [no description available] | medium | 7 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
spironolactone | [no description available] | medium | 7 | 1 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
prednisone | [no description available] | medium | 18 | 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 |
prednisone | [no description available] | medium | 18 | 2 | 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 |
ethinyl estradiol | [no description available] | medium | 7 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
phenylephrine | [no description available] | high | 48 | 1 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
phenylephrine | [no description available] | high | 48 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
oxacillin | [no description available] | medium | 5 | 0 | penicillin | antibacterial agent; antibacterial drug |
norethindrone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
methylprednisolone | [no description available] | medium | 22 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
methylprednisolone | [no description available] | medium | 22 | 4 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
nafcillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
betamethasone | [no description available] | medium | 35 | 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 |
betamethasone | [no description available] | medium | 35 | 5 | 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 |
dextropropoxyphene | [no description available] | medium | 7 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
chlormethiazole | [no description available] | medium | 4 | 0 | thiazoles | |
ethambutol | [no description available] | medium | 7 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 7 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
dronabinol | [no description available] | medium | 7 | 1 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | [no description available] | medium | 72 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
amiloride | [no description available] | medium | 72 | 1 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
pimozide | [no description available] | medium | 6 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
dicloxacillin | [no description available] | medium | 8 | 0 | dichlorobenzene; penicillin | antibacterial drug |
zalcitabine | [no description available] | medium | 7 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
selegiline | [no description available] | medium | 9 | 0 | selegiline; terminal acetylenic compound | geroprotector |
clemastine | [no description available] | medium | 5 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
du-21220 | [no description available] | medium | 61 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
du-21220 | [no description available] | medium | 61 | 6 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
indoramin | [no description available] | medium | 6 | 0 | tryptamines | |
moricizine | [no description available] | medium | 4 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
zidovudine | [no description available] | medium | 13 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
medifoxamine | [no description available] | medium | 1 | 0 | aromatic ether | |
dobutamine | [no description available] | high | 80 | 1 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
dobutamine | [no description available] | high | 80 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
penbutolol | [no description available] | medium | 3 | 0 | ethanolamines | |
tocainide | [no description available] | medium | 6 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 19 | 0 | | |
meptazinol | [no description available] | medium | 3 | 0 | azepanes | |
lorcainide | [no description available] | medium | 7 | 0 | acetamides | |
paroxetine | [no description available] | medium | 8 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
captopril | [no description available] | medium | 14 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
encainide | [no description available] | medium | 5 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
lovastatin | [no description available] | medium | 8 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
enoximone | [no description available] | medium | 5 | 0 | aromatic ketone | |
simvastatin | [no description available] | medium | 6 | 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 |
mibefradil | [no description available] | medium | 7 | 0 | tetralins | T-type calcium channel blocker |
bromfenac | [no description available] | medium | 7 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
rilmenidine | [no description available] | medium | 1 | 0 | isourea | |
diprafenone | [no description available] | medium | 3 | 0 | aromatic compound | |
uk 68798 | [no description available] | medium | 6 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
bufuralol | [no description available] | medium | 4 | 0 | benzofurans | |
epanolol | [no description available] | medium | 1 | 0 | acetamides | |
methotrimeprazine | [no description available] | medium | 5 | 0 | phenothiazines; tertiary amine | anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist |
atovaquone | [no description available] | medium | 6 | 0 | hydroxy-1,2-naphthoquinone | |
nicotine | [no description available] | medium | 17 | 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 | 18 | 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 |
xamoterol | [no description available] | medium | 9 | 0 | morpholines | |
xamoterol | [no description available] | medium | 9 | 4 | morpholines | |
atropine | [no description available] | medium | 55 | 0 | | |
atropine | [no description available] | medium | 55 | 4 | | |
rimiterol | [no description available] | medium | 7 | 0 | catechols | |
rimiterol | [no description available] | medium | 7 | 3 | catechols | |
quinidine | [no description available] | medium | 17 | 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 |
dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
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 |
mercaptopurine | [no description available] | medium | 8 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
terbinafine | [no description available] | medium | 5 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
raclopride | [no description available] | medium | 2 | 0 | salicylamides | |
quinine | [no description available] | medium | 12 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
zofenoprilate | [no description available] | medium | 1 | 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 |
codeine | [no description available] | medium | 12 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
naloxone | [no description available] | medium | 16 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
morphine | [no description available] | medium | 15 | 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 |
nalbuphine | [no description available] | medium | 4 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
zuclopenthixol | [no description available] | medium | 1 | 0 | clopenthixol | alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
fluvoxamine | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 10 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
naltrexone | [no description available] | medium | 5 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
famotidine | [no description available] | medium | 13 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
nitrofurantoin | [no description available] | medium | 9 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
nifurtimox | [no description available] | medium | 3 | 0 | nitrofuran antibiotic | |
scopolamine hydrobromide | [no description available] | medium | 9 | 0 | | |
mobiflex | [no description available] | medium | 10 | 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 |
ajmaline | [no description available] | medium | 2 | 0 | | |
clozapine | [no description available] | medium | 15 | 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 |
olanzapine | [no description available] | medium | 6 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
allopurinol | [no description available] | medium | 15 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
benzoic acid | [no description available] | medium | 2 | 0 | benzoic acids | 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 |
deferoxamine | [no description available] | medium | 3 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
metolazone | [no description available] | medium | 9 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
n,n'-bis(2-hydroxybenzyl)ethylenediamine-n,n'-diacetic acid | [no description available] | medium | 1 | 0 | | |
valsartan | [no description available] | medium | 8 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
acyclovir | [no description available] | medium | 16 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
quinacrine | [no description available] | medium | 7 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
azelastine | [no description available] | medium | 8 | 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 |
bromazepam | [no description available] | medium | 6 | 0 | organic molecular entity | |
fentanyl | [no description available] | medium | 11 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fentanyl | [no description available] | medium | 11 | 1 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
itraconazole | [no description available] | medium | 9 | 0 | piperazines | |
nefazodone | [no description available] | medium | 12 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
colchicine | [no description available] | medium | 10 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
ergotamine | [no description available] | medium | 7 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
lormetazepam | [no description available] | medium | 6 | 0 | 1,4-benzodiazepinone; organochlorine compound | sedative |
paclitaxel | [no description available] | medium | 10 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
tebufelone | [no description available] | medium | 2 | 0 | | |
tolterodine | [no description available] | medium | 8 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
cocaine | [no description available] | high | 9 | 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 |
promazine | [no description available] | medium | 5 | 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 |
propofol | [no description available] | medium | 7 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
trimipramine | [no description available] | medium | 6 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
galantamine | [no description available] | medium | 7 | 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 |
chlordesmethyldiazepam | [no description available] | medium | 2 | 0 | benzodiazepine | |
amitriptyline n-oxide | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
tolamolol | [no description available] | medium | 3 | 0 | | |
sufentanil | [no description available] | medium | 6 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
alfentanil | [no description available] | medium | 11 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
remoxipride | [no description available] | medium | 7 | 0 | dimethoxybenzene | |
atomoxetine | [no description available] | medium | 7 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
nebivolol | [no description available] | medium | 4 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
voriconazole | [no description available] | medium | 5 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
rivastigmine | [no description available] | medium | 6 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
zithromax | [no description available] | medium | 11 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
oxycodone | [no description available] | medium | 6 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
butorphanol | [no description available] | medium | 11 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
bupranolol | [no description available] | medium | 5 | 0 | aromatic ether | |
cgp 20712a | [no description available] | medium | 1 | 0 | imidazoles | |
ici 118551 | [no description available] | medium | 2 | 0 | indanes | |
salmeterol xinafoate | [no description available] | medium | 2 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
(S)-betaxolol | [no description available] | medium | 1 | 0 | betaxolol | |
ici 89406 | [no description available] | medium | 3 | 0 | ureas | |
cgp 12177a | [no description available] | medium | 1 | 0 | | |
ici 215001 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
metformin | [no description available] | medium | 12 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
mitoxantrone | [no description available] | medium | 7 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
clodronic acid | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
glycylsarcosine | [no description available] | medium | 2 | 0 | dipeptide zwitterion; dipeptide | |
digoxin | [no description available] | medium | 17 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
didanosine | [no description available] | medium | 7 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor |
ganciclovir | [no description available] | medium | 14 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 4 | 0 | L-valyl ester | antiviral drug |
lobucavir | [no description available] | medium | 1 | 0 | | |
ropinirole | [no description available] | medium | 2 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
apomorphine | [no description available] | medium | 8 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
quinelorane | [no description available] | medium | 1 | 0 | quinazolines | |
pramipexole | [no description available] | medium | 3 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
aminocaproic acid | [no description available] | medium | 5 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
enprofylline | [no description available] | medium | 16 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
enprofylline | [no description available] | medium | 16 | 4 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
acetazolamide | [no description available] | medium | 8 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
alfuzosin | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
alosetron | [no description available] | medium | 2 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
diatrizoic acid | [no description available] | medium | 3 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
amsacrine | [no description available] | medium | 4 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
biperiden | [no description available] | medium | 3 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
bromopride | [no description available] | medium | 3 | 0 | benzamides | |
buflomedil | [no description available] | medium | 3 | 0 | aromatic ketone | |
bunazosin | [no description available] | medium | 2 | 0 | quinazolines | |
bupivacaine | [no description available] | medium | 6 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
busulfan | [no description available] | medium | 8 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
metrizoate | [no description available] | medium | 3 | 0 | monocarboxylic acid | radioopaque medium |
carmustine | [no description available] | medium | 6 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
ciprofloxacin | [no description available] | medium | 13 | 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 |
chlorazepate | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
dapsone | [no description available] | medium | 10 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
amphetamine | [no description available] | medium | 4 | 0 | primary amine | |
doxapram | [no description available] | medium | 3 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
dyphylline | [no description available] | medium | 4 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
enoxacin | [no description available] | medium | 4 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
ethacrynic acid | [no description available] | medium | 7 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
fenspiride | [no description available] | medium | 3 | 0 | azaspiro compound | |
fleroxacin | [no description available] | medium | 7 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
fluorescite | [no description available] | medium | 5 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
gabapentin | [no description available] | medium | 7 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glimepiride | [no description available] | medium | 6 | 0 | sulfonamide | |
granisetron | [no description available] | medium | 5 | 0 | aromatic amide; indazoles | |
guanfacine | [no description available] | medium | 6 | 0 | acetamides | |
hydroflumethiazide | [no description available] | medium | 5 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
hydroxychloroquine | [no description available] | medium | 2 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
hydroxyurea | [no description available] | medium | 9 | 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 |
hypericin | [no description available] | medium | 1 | 0 | | |
ifosfamide | [no description available] | medium | 6 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
iohexol | [no description available] | medium | 4 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iopromide | [no description available] | medium | 2 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
iothalamic acid | [no description available] | medium | 3 | 0 | organic molecular entity | |
avapro | [no description available] | medium | 4 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ketanserin | [no description available] | medium | 7 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
letrozole | [no description available] | medium | 5 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
losartan | [no description available] | medium | 7 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
mepivacaine | [no description available] | medium | 4 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 4 | 0 | organic molecular entity | |
mesalamine | [no description available] | medium | 4 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
methapyrilene | [no description available] | medium | 2 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
methylphenidate | [no description available] | medium | 6 | 0 | beta-amino acid ester; methyl ester; piperidines | |
acecainide | [no description available] | medium | 5 | 0 | acetamides; benzamides | anti-arrhythmia drug |
naratriptan | [no description available] | medium | 4 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
nefopam | [no description available] | medium | 3 | 0 | benzoxazocine; tertiary amino compound | |
nomifensine | [no description available] | medium | 6 | 0 | isoquinolines | dopamine uptake inhibitor |
ofloxacin | [no description available] | medium | 11 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
oxiracetam | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
oxybutynin | [no description available] | medium | 19 | 0 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
oxybutynin | [no description available] | medium | 19 | 5 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
pamidronate | [no description available] | medium | 4 | 0 | phosphonoacetic acid | |
pantoprazole | [no description available] | medium | 7 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
papaverine | [no description available] | medium | 18 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
papaverine | [no description available] | medium | 18 | 1 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pentamidine | [no description available] | medium | 9 | 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 |
pentobarbital | [no description available] | medium | 7 | 0 | barbiturates | GABAA receptor agonist |
phenacetin | [no description available] | medium | 8 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
moxonidine | [no description available] | medium | 6 | 0 | organohalogen compound; pyrimidines | |
pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
piretanide | [no description available] | medium | 2 | 0 | aromatic ether | |
prilocaine | [no description available] | medium | 2 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
pyridostigmine | [no description available] | medium | 4 | 0 | pyridinium ion | |
pyrimethamine | [no description available] | medium | 4 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rabeprazole | [no description available] | medium | 5 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
rizatriptan | [no description available] | medium | 4 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
risedronic acid | [no description available] | medium | 6 | 0 | pyridines | |
imatinib | [no description available] | medium | 6 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
vorinostat | [no description available] | medium | 4 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
suprofen | [no description available] | medium | 6 | 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 |
suramin | [no description available] | medium | 7 | 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 | 7 | 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 | 4 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
thalidomide | [no description available] | medium | 5 | 0 | phthalimides; piperidones | |
thiotepa | [no description available] | medium | 6 | 0 | aziridines | |
tinidazole | [no description available] | medium | 6 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
trimetrexate | [no description available] | medium | 4 | 0 | | |
viloxazine | [no description available] | medium | 2 | 0 | aromatic ether | |
zaleplon | [no description available] | medium | 5 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zolpidem | [no description available] | medium | 5 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
zopiclone | [no description available] | medium | 8 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
cephaloridine | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
penicillin g | [no description available] | medium | 8 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
vincristine | [no description available] | medium | 4 | 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 |
cephalothin | [no description available] | medium | 3 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
kanamycin a | [no description available] | medium | 6 | 0 | kanamycins | bacterial metabolite |
methicillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
ampicillin | [no description available] | medium | 12 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
triamcinolone acetonide | [no description available] | medium | 6 | 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 |
phencyclidine | [no description available] | medium | 7 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
phencyclidine | [no description available] | medium | 7 | 1 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
penicillin v | [no description available] | medium | 9 | 0 | penicillin allergen; penicillin | |
isosorbide dinitrate | [no description available] | medium | 6 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
neostigmine bromide | [no description available] | medium | 4 | 0 | bromide salt | |
methohexital | [no description available] | medium | 2 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
pirinitramide | [no description available] | medium | 2 | 0 | nitrile | |
edrophonium bromide | [no description available] | medium | 1 | 0 | | |
azacitidine | [no description available] | medium | 4 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
ketobemidone | [no description available] | medium | 1 | 0 | piperidines | |
methamphetamine | [no description available] | medium | 6 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
lithium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
acetylcysteine | [no description available] | medium | 12 | 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 |
acetylcysteine | [no description available] | medium | 12 | 1 | 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 |
erythromycin | [no description available] | medium | 14 | 0 | cyclic ketone; erythromycin | |
levonorgestrel | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
vinblastine | [no description available] | medium | 7 | 0 | | |
vancomycin | [no description available] | medium | 7 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
metylperon | [no description available] | medium | 2 | 0 | aromatic ketone | |
spectinomycin | [no description available] | medium | 3 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
benperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
stavudine | [no description available] | medium | 6 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
doxifluridine | [no description available] | medium | 5 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
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 |
cladribine | [no description available] | medium | 5 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
carbenicillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
floxacillin | [no description available] | medium | 6 | 0 | penicillin allergen; penicillin | antibacterial drug |
beclomethasone dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
terodiline | [no description available] | medium | 3 | 0 | diarylmethane | |
1-(4-carboxyphenyl)-3,3-dimethyltriazene | [no description available] | medium | 1 | 0 | | |
metocurine iodide | [no description available] | medium | 2 | 0 | aromatic ether | |
apazone | [no description available] | medium | 2 | 0 | benzotriazines | non-steroidal anti-inflammatory drug; uricosuric drug |
isosorbide-5-mononitrate | [no description available] | medium | 6 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
cephapirin | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
pregnanolone | [no description available] | medium | 2 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
ribostamycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | antibacterial drug; antimicrobial agent; metabolite |
cefazolin | [no description available] | medium | 7 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
toloxatone | [no description available] | medium | 3 | 0 | oxazolidinone; primary alcohol; toluenes | |
sisomicin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
amdinocillin | [no description available] | medium | 2 | 0 | penicillin | antibacterial drug; antiinfective agent |
tobramycin | [no description available] | medium | 9 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
etoposide | [no description available] | medium | 13 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
ticarcillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
trimazosin | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
ribavirin | [no description available] | medium | 7 | 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 |
adinazolam | [no description available] | medium | 3 | 0 | triazolobenzodiazepine | anticonvulsant; antidepressant; anxiolytic drug; sedative |
amikacin | [no description available] | medium | 6 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
cephradine | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
sulbenicillin | [no description available] | medium | 2 | 0 | penicillin | |
vecuronium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
torsemide | [no description available] | medium | 6 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
medroxalol | [no description available] | medium | 1 | 0 | salicylamides | |
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 |
cefmetazole | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
idarubicin | [no description available] | medium | 5 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
ceforanide | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 6 | 0 | penicillin allergen; penicillin | antibacterial drug |
cefoperazone | [no description available] | medium | 3 | 0 | cephalosporin | antibacterial drug |
atracurium | [no description available] | medium | 3 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
moxalactam | [no description available] | medium | 3 | 0 | cephalosporin; oxacephem | antibacterial drug |
endralazine | [no description available] | medium | 1 | 0 | benzamides | |
cefadroxil anhydrous | [no description available] | medium | 7 | 0 | cephalosporin | antibacterial drug |
pefloxacin | [no description available] | medium | 7 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
cefotetan | [no description available] | medium | 6 | 0 | | |
recainam | [no description available] | medium | 5 | 0 | | |
flupirtine | [no description available] | medium | 5 | 0 | aminopyridine | |
idazoxan | [no description available] | medium | 4 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
pravastatin | [no description available] | medium | 9 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
bambuterol | [no description available] | high | 114 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
bambuterol | [no description available] | high | 114 | 35 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
trospectomycin | [no description available] | medium | 1 | 0 | dioxanes | |
finasteride | [no description available] | medium | 6 | 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 |
sematilide | [no description available] | medium | 3 | 0 | | |
esmolol | [no description available] | medium | 5 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
clinafloxacin | [no description available] | medium | 3 | 0 | quinolines | |
adefovir | [no description available] | medium | 6 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
loxiglumide | [no description available] | medium | 2 | 0 | organic molecular entity | |
sparfloxacin | [no description available] | medium | 7 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
cidofovir anhydrous | [no description available] | medium | 7 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
tiagabine | [no description available] | medium | 6 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
topotecan | [no description available] | medium | 3 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | medium | 3 | 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 | 3 | 0 | benzenes; organic amino compound | |
aripiprazole | [no description available] | medium | 3 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
remifentanil | [no description available] | medium | 3 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
lamivudine | [no description available] | medium | 9 | 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 | 5 | 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 |
ibandronic acid | [no description available] | medium | 3 | 0 | | |
ziprasidone | [no description available] | medium | 8 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
zanamivir | [no description available] | medium | 4 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
zolmitriptan | [no description available] | medium | 5 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
tirofiban | [no description available] | medium | 3 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
cisatracurium | [no description available] | medium | 1 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
fosinoprilat | [no description available] | medium | 1 | 0 | L-proline derivative; phosphinic acids | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
trovafloxacin | [no description available] | medium | 9 | 0 | | |
cefprozil | [no description available] | medium | 3 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
iopamidol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
imipramine n-oxide | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
dexloxiglumide | [no description available] | medium | 3 | 0 | glutamic acid derivative | |
intoplicine | [no description available] | medium | 2 | 0 | pyridoindole | |
repaglinide | [no description available] | medium | 6 | 0 | piperidines | |
telmisartan | [no description available] | medium | 10 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
dexfenfluramine | [no description available] | medium | 4 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
ethinyl estradiol-17-sulfate | [no description available] | medium | 1 | 0 | | |
ethinylestradiol-3-sulfate | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; steroid sulfate | antineoplastic agent; estrogen |
cefcanel | [no description available] | medium | 2 | 0 | | |
zoledronic acid | [no description available] | medium | 6 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
epristeride | [no description available] | medium | 3 | 0 | steroid acid | |
talinolol | [no description available] | medium | 5 | 0 | ureas | |
denaverine | [no description available] | medium | 1 | 0 | diarylmethane | |
ljc 10627 | [no description available] | medium | 2 | 0 | carbapenems; organic sulfide; pyrazolotriazole | antibacterial drug |
dexrazoxane | [no description available] | medium | 4 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
betamipron | [no description available] | medium | 3 | 0 | organonitrogen compound; organooxygen compound | |
panipenem | [no description available] | medium | 1 | 0 | organic molecular entity | |
perindoprilat | [no description available] | medium | 1 | 0 | dicarboxylic acid; dipeptide; L-alanine derivative; organic heterobicyclic compound | antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
7-hydroxystaurosporine | [no description available] | medium | 1 | 0 | | |
9-aminocamptothecin | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
sch 34343 | [no description available] | medium | 2 | 0 | | |
squalamine | [no description available] | medium | 1 | 0 | bile acid | |
frovatriptan | [no description available] | medium | 4 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 2 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rosiglitazone | [no description available] | medium | 7 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
clarithromycin | [no description available] | medium | 9 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
mci 9038 | [no description available] | medium | 2 | 0 | peptide | |
imipenem, anhydrous | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
bosentan anhydrous | [no description available] | medium | 7 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
asulacrine | [no description available] | medium | 1 | 0 | acridines | |
hydroxycotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | |
quinaprilat | [no description available] | medium | 3 | 0 | dicarboxylic acid; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; vasodilator agent |
2-hydroxyimipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | |
ecteinascidin 743 | [no description available] | medium | 2 | 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 |
almotriptan | [no description available] | medium | 4 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
mk 0663 | [no description available] | medium | 3 | 0 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
gefitinib | [no description available] | medium | 5 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
tamsulosin | [no description available] | medium | 4 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
sulbactam | [no description available] | medium | 4 | 0 | penicillanic acids | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
docetaxel | [no description available] | medium | 3 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
irofulven | [no description available] | medium | 1 | 0 | cyclohexenones | |
ym 872 | [no description available] | medium | 1 | 0 | | |
levofloxacin | [no description available] | medium | 8 | 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 |
ertapenem | [no description available] | medium | 2 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
dx 8951 | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
cilomilast | [no description available] | medium | 3 | 0 | methoxybenzenes | |
conivaptan | [no description available] | medium | 3 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
tezosentan | [no description available] | medium | 2 | 0 | | |
sabarubicin | [no description available] | medium | 1 | 0 | | |
moxifloxacin | [no description available] | medium | 6 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
clevidipine | [no description available] | medium | 2 | 0 | dihydropyridine | |
solifenacin | [no description available] | medium | 4 | 0 | isoquinolines | |
abanoquil | [no description available] | medium | 1 | 0 | | |
anidulafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
ropivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
melagatran | [no description available] | medium | 4 | 0 | azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor |
tesaglitazar | [no description available] | medium | 3 | 0 | | |
bms204352 | [no description available] | medium | 3 | 0 | | |
fosfluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; triazole antifungal drug; triazoles | prodrug |
cp 101,606 | [no description available] | medium | 2 | 0 | | |
nsc-89199 | [no description available] | medium | 3 | 0 | carbamate ester; organochlorine compound; steroid phosphate | |
phenethicillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | |
acivicin | [no description available] | medium | 1 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
bortezomib | [no description available] | medium | 4 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
meropenem | [no description available] | medium | 6 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
cefoxitin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
digitoxin | [no description available] | medium | 6 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
saquinavir | [no description available] | medium | 8 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
pancuronium | [no description available] | medium | 3 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
rocuronium | [no description available] | medium | 1 | 0 | 3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound | drug allergen; muscle relaxant; neuromuscular agent |
abacavir | [no description available] | medium | 3 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
netilmicin | [no description available] | medium | 7 | 0 | | |
miglitol | [no description available] | medium | 5 | 0 | piperidines | |
linezolid | [no description available] | medium | 5 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
darifenacin | [no description available] | medium | 2 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
fluticasone propionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; propanoate ester; steroid ester; thioester | adrenergic agent; anti-allergic agent; anti-asthmatic drug; anti-inflammatory drug; bronchodilator agent; dermatologic drug |
acarbose | [no description available] | medium | 5 | 0 | amino cyclitol; glycoside | |
tacrolimus | [no description available] | medium | 6 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cerivastatin | [no description available] | medium | 5 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 5 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
clindamycin | [no description available] | medium | 8 | 0 | | |
fosfomycin | [no description available] | medium | 8 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
bms 214662 | [no description available] | medium | 1 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
eptifibatide | [no description available] | medium | 2 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
gs 4071 | [no description available] | medium | 3 | 0 | acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite |
decitabine | [no description available] | medium | 5 | 0 | 2'-deoxyribonucleoside | |
sm 8668 | [no description available] | medium | 2 | 0 | | |
teniposide | [no description available] | medium | 6 | 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 |
troxacitabine | [no description available] | medium | 1 | 0 | carbohydrate derivative; nucleobase-containing molecular entity | |
cefamandole | [no description available] | medium | 4 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
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 |
melphalan | [no description available] | medium | 10 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
sitafloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
tenofovir | [no description available] | medium | 4 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
dibekacin | [no description available] | medium | 2 | 0 | kanamycins | antibacterial agent; protein synthesis inhibitor |
micafungin | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
mezlocillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
tropisetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
leuprolide | [no description available] | medium | 3 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
fludarabine | [no description available] | medium | 2 | 0 | purine nucleoside | |
propylthiouracil | [no description available] | medium | 11 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
etomidate | [no description available] | medium | 4 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
cotinine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
methimazole | [no description available] | medium | 6 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
drotaverin | [no description available] | medium | 5 | 0 | isoquinolines | |
cancidas | [no description available] | medium | 2 | 0 | | |
lincomycin | [no description available] | medium | 6 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
thiopental | [no description available] | medium | 3 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
hmr 3647 | [no description available] | medium | 6 | 0 | | |
nelarabine | [no description available] | medium | 3 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | [no description available] | medium | 3 | 0 | aromatic ether | |
dolasetron | [no description available] | medium | 2 | 0 | indolyl carboxylic acid | |
or 1259 | [no description available] | medium | 2 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
gestodene | [no description available] | medium | 5 | 0 | steroid | estrogen |
isepamicin | [no description available] | medium | 1 | 0 | | |
ifetroban | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
lamifiban | [no description available] | medium | 1 | 0 | N-acylglycine | |
telavancin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent |
sitagliptin | [no description available] | medium | 6 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
tolcapone | [no description available] | medium | 7 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
quercetin | [no description available] | medium | 3 | 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 |
clavulanic acid | [no description available] | medium | 6 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
pulmicort | [no description available] | high | 130 | 70 | 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 |
pulmicort | [no description available] | high | 130 | 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 |
eprosartan | [no description available] | medium | 7 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
montelukast | [no description available] | medium | 11 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
montelukast | [no description available] | medium | 11 | 1 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
mivacurium | [no description available] | medium | 4 | 0 | isoquinolines | |
mivacurium | [no description available] | medium | 4 | 1 | isoquinolines | |
entacapone | [no description available] | medium | 6 | 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 |
paricalcitol | [no description available] | medium | 4 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
sdz psc 833 | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | |
indocyanine green | [no description available] | medium | 2 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
cyclosporine | [no description available] | medium | 11 | 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 |
hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
nalmefene | [no description available] | medium | 3 | 0 | morphinane alkaloid | |
alvocidib | [no description available] | medium | 2 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
cicaprost | [no description available] | medium | 1 | 0 | monoterpenoid | |
dexmedetomidine | [no description available] | medium | 3 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
iloprost | [no description available] | medium | 3 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
nateglinide | [no description available] | medium | 5 | 0 | phenylalanine derivative | |
vinorelbine | [no description available] | medium | 6 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
romidepsin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
morphine-6-glucuronide | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
cefodizime | [no description available] | medium | 2 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; EC 1.14.18.1 (tyrosinase) inhibitor |
methylnaltrexone | [no description available] | medium | 1 | 0 | phenanthrenes | |
cefixime | [no description available] | medium | 9 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 11 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
indinavir sulfate | [no description available] | medium | 7 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
cefuroxime | [no description available] | medium | 8 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
cefepime | [no description available] | medium | 4 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
hr 810 | [no description available] | medium | 1 | 0 | cephalosporin; cyclopentapyridine | |
ceftazidime | [no description available] | medium | 6 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
cefetamet | [no description available] | medium | 3 | 0 | cephalosporin | |
cefotaxime | [no description available] | medium | 5 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
cefotaxime | [no description available] | medium | 5 | 1 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 7 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
ginkgolide b | [no description available] | medium | 2 | 0 | | |
palonosetron | [no description available] | medium | 2 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
cefatrizine | [no description available] | medium | 6 | 0 | amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles | antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor |
eniporide | [no description available] | medium | 1 | 0 | | |
cilastatin | [no description available] | medium | 3 | 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 |
ixabepilone | [no description available] | medium | 3 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
verlukast | [no description available] | medium | 1 | 0 | | |
ceftizoxime | [no description available] | medium | 5 | 0 | cephalosporin | antibacterial drug |
carumonam | [no description available] | medium | 1 | 0 | monobactam | antibacterial drug |
eritoran | [no description available] | medium | 1 | 0 | lipid As | |
dantrolene | [no description available] | medium | 2 | 0 | | |
artesunate | [no description available] | medium | 4 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
dexniguldipine | [no description available] | medium | 1 | 0 | diarylmethane | |
napsagatran | [no description available] | medium | 1 | 0 | | |
temsirolimus | [no description available] | medium | 3 | 0 | macrolide lactam | |
bms188797 | [no description available] | medium | 1 | 0 | | |
azimilide | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
tomopenem | [no description available] | medium | 2 | 0 | | |
bb-83698 | [no description available] | medium | 1 | 0 | | |
zotarolimus | [no description available] | medium | 1 | 0 | lactam; macrolide | |
gentamicin sulfate | [no description available] | medium | 6 | 0 | | |
bn 52020 | [no description available] | medium | 2 | 0 | | |
vindesine | [no description available] | medium | 3 | 0 | | |
bisaramil | [no description available] | medium | 1 | 0 | | |
teicoplanin | [no description available] | medium | 2 | 0 | | |
ly-146032 | [no description available] | medium | 4 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
dalbavancin | [no description available] | medium | 1 | 0 | carbohydrate acid derivative; glycopeptide; monosaccharide derivative; semisynthetic derivative | antibacterial drug; antimicrobial agent |
cetrorelix | [no description available] | medium | 2 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
tetracycline | [no description available] | medium | 14 | 0 | | |
chlortetracycline | [no description available] | medium | 6 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 7 | 0 | | |
minocycline | [no description available] | medium | 8 | 0 | | |
roquinimex | [no description available] | medium | 3 | 0 | aromatic amide | |
mobic | [no description available] | medium | 10 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
isoxicam | [no description available] | medium | 6 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
demeclocycline | [no description available] | medium | 4 | 0 | | |
rolitetracycline | [no description available] | medium | 3 | 0 | | |
tigecycline | [no description available] | medium | 4 | 0 | | |
rifampin | [no description available] | medium | 11 | 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 |
dacarbazine | [no description available] | medium | 6 | 0 | dacarbazine | |
sildenafil | [no description available] | medium | 6 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
penciclovir | [no description available] | medium | 4 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
vardenafil | [no description available] | medium | 4 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
leucovorin | [no description available] | medium | 5 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
tegaserod | [no description available] | medium | 4 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
tirapazamine | [no description available] | medium | 2 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
aprepitant | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
ceftobiprole | [no description available] | medium | 1 | 0 | cephalosporin; thiadiazoles | antimicrobial agent |
rifabutin | [no description available] | medium | 7 | 0 | | |
agmatine | [no description available] | medium | 1 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
choline | [no description available] | medium | 10 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
choline | [no description available] | medium | 10 | 1 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
histamine | [no description available] | medium | 79 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
histamine | [no description available] | medium | 79 | 23 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
normetanephrine | [no description available] | medium | 1 | 0 | catecholamine | |
arcaine | [no description available] | medium | 1 | 0 | guanidines | |
azathioprine | [no description available] | medium | 8 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
baclofen | [no description available] | medium | 5 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
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 |
buspirone | [no description available] | medium | 6 | 1 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
candesartan | [no description available] | medium | 2 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carisoprodol | [no description available] | medium | 3 | 0 | carbamate ester | muscle relaxant |
celecoxib | [no description available] | medium | 4 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
cetirizine | [no description available] | medium | 5 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlorzoxazone | [no description available] | medium | 4 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
clotrimazole | [no description available] | medium | 3 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
eflornithine | [no description available] | medium | 5 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
fenofibrate | [no description available] | medium | 5 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fluphenazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
flutamide | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
ketoconazole | [no description available] | medium | 8 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
loperamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
loratadine | [no description available] | medium | 5 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
loratadine | [no description available] | medium | 5 | 1 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
meclizine | [no description available] | medium | 3 | 0 | diarylmethane | |
memantine | [no description available] | medium | 3 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
orphenadrine | [no description available] | medium | 3 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
phenoxybenzamine | [no description available] | medium | 18 | 0 | aromatic amine | |
phenoxybenzamine | [no description available] | medium | 18 | 1 | aromatic amine | |
terfenadine | [no description available] | medium | 7 | 0 | diarylmethane | |
tetraethylammonium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
trihexyphenidyl | [no description available] | medium | 2 | 0 | amine | |
troglitazone | [no description available] | high | 7 | 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 |
thyroxine | [no description available] | medium | 8 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
thyroxine | [no description available] | medium | 8 | 1 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
pilocarpine | [no description available] | medium | 7 | 0 | pilocarpine | antiglaucoma drug |
cysteamine | [no description available] | medium | 3 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
mepenzolate bromide | [no description available] | medium | 2 | 0 | diarylmethane | |
nandrolone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
bucindolol | [no description available] | medium | 1 | 0 | | |
efavirenz | [no description available] | medium | 4 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
2-methoxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
glucosamine | [no description available] | medium | 2 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
sulindac | [no description available] | high | 11 | 2 | 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 |
sulindac | [no description available] | high | 11 | 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 |
tamoxifen | [no description available] | medium | 8 | 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 |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
cyproterone | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
denopamine | [no description available] | medium | 4 | 0 | dimethoxybenzene | |
enalapril | [no description available] | medium | 10 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
enalapril | [no description available] | medium | 10 | 1 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
taurocholic acid, monosodium salt | [no description available] | medium | 1 | 0 | bile salt | |
folic acid | [no description available] | medium | 4 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
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 | 1 | 0 | chlorocyclohexane | |
parathion | [no description available] | medium | 1 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes | human xenobiotic metabolite |
pyrazinamide | [no description available] | medium | 4 | 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 |
acetohexamide | [no description available] | medium | 2 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
ametantrone | [no description available] | medium | 1 | 0 | | |
aminoglutethimide | [no description available] | medium | 5 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
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 | 8 | 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 | 6 | 0 | aromatic ketone | |
celiprolol | [no description available] | medium | 6 | 1 | aromatic ketone | |
chloral hydrate | [no description available] | medium | 2 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
clioquinol | [no description available] | medium | 5 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
cycloleucine | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
debrisoquin | [no description available] | medium | 5 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
debrisoquin | [no description available] | medium | 5 | 1 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
dicamba | [no description available] | medium | 1 | 0 | dichlorobenzene; methoxybenzoic acid | agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic |
dichlorphenamide | [no description available] | medium | 3 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dicyclomine | [no description available] | medium | 2 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
diethylcarbamazine | [no description available] | medium | 1 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
dimercaprol | [no description available] | medium | 3 | 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 |
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 |
ethinamate | [no description available] | medium | 1 | 0 | carbamate ester; terminal acetylenic compound | sedative |
glutethimide | [no description available] | medium | 3 | 0 | piperidines | |
guanethidine | [no description available] | medium | 6 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
halothane | [no description available] | medium | 6 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
phenelzine | [no description available] | medium | 4 | 0 | primary amine | |
indapamide | [no description available] | medium | 6 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iproniazid | [no description available] | medium | 6 | 0 | carbohydrazide; pyridines | |
lomustine | [no description available] | medium | 5 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
mechlorethamine | [no description available] | medium | 3 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mephenytoin | [no description available] | medium | 4 | 0 | imidazolidine-2,4-dione | anticonvulsant |
methoxyflurane | [no description available] | medium | 3 | 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 | 3 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
minoxidil | [no description available] | medium | 9 | 0 | dialkylarylamine; tertiary amino compound | |
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] | high | 14 | 3 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nitroglycerin | [no description available] | high | 14 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
4-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | insecticide |
phenacemide | [no description available] | medium | 2 | 0 | acetamides | |
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 | |
procaine | [no description available] | medium | 3 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
procarbazine | [no description available] | medium | 4 | 0 | benzamides; hydrazines | antineoplastic agent |
semustine | [no description available] | medium | 1 | 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 |
sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfapyridine | [no description available] | medium | 3 | 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 |
sulfoxone | [no description available] | medium | 1 | 0 | sulfonamide | |
tegafur | [no description available] | medium | 2 | 0 | organohalogen compound; pyrimidines | |
tetracaine | [no description available] | medium | 5 | 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 | 3 | 0 | N-sulfonylurea | hypoglycemic agent; potassium 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 | | |
trimethadione | [no description available] | medium | 5 | 0 | oxazolidinone | anticonvulsant; geroprotector |
urethane | [no description available] | medium | 1 | 0 | carbamate ester | fungal metabolite; mutagen |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
reserpine | [no description available] | medium | 12 | 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 |
floxuridine | [no description available] | medium | 3 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
triethylenemelamine | [no description available] | medium | 1 | 0 | 1,3,5-triazines | alkylating agent; insect sterilant |
allobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
penicillamine | [no description available] | medium | 8 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
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 |
idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
physostigmine | [no description available] | medium | 13 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
dromostanolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic 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 | |
niridazole | [no description available] | medium | 2 | 0 | 1,3-thiazoles; C-nitro compound | |
cloxacillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
uracil mustard | [no description available] | medium | 1 | 0 | aminouracil; nitrogen mustard | |
cycloheximide | [no description available] | medium | 3 | 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 |
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 | 1 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
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 | |
pseudoephedrine | [no description available] | high | 5 | 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 |
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 | |
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 | 1 | 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 | 5 | 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 | 4 | 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 | |
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 |
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 |
improsan | [no description available] | medium | 1 | 0 | organosulfonic ester | |
piperacetazine | [no description available] | medium | 1 | 0 | phenothiazines | |
beclomethasone | [no description available] | medium | 2 | 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 |
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 | 4 | 0 | benzamides | |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
calusterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
danazol | [no description available] | medium | 7 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
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 | | |
daunorubicin | [no description available] | medium | 4 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
razoxane | [no description available] | medium | 2 | 0 | N-alkylpiperazine | |
fludarabine phosphate | [no description available] | medium | 4 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
bromocriptine | [no description available] | medium | 5 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
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 |
etidocaine | [no description available] | medium | 2 | 0 | amino acid amide | local anaesthetic |
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 |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
triciribine phosphate | [no description available] | medium | 1 | 0 | | |
bw-755c | [no description available] | medium | 1 | 0 | | |
cefaclor anhydrous | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug; drug allergen |
piritrexim | [no description available] | medium | 3 | 0 | | |
caracemide | [no description available] | medium | 1 | 0 | | |
quinapril | [no description available] | medium | 5 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
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 | | |
dipropylacetamide | [no description available] | medium | 2 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
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 | | |
tevenel | [no description available] | medium | 1 | 0 | sulfonamide | |
tac 278 | [no description available] | medium | 1 | 0 | | |
aminopterin | [no description available] | medium | 2 | 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 | | |
deflazacort | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
hexestrol diphosphate | [no description available] | medium | 1 | 0 | | |
carbocysteine | [no description available] | medium | 3 | 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 |
estramustine | [no description available] | medium | 4 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
indicine-n-oxide | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 2 | 0 | | |
oxytocin | [no description available] | medium | 24 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
oxytocin | [no description available] | medium | 24 | 2 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
pentostatin | [no description available] | medium | 3 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
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 |
mycophenolic acid | [no description available] | medium | 3 | 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 |
formycin | [no description available] | medium | 1 | 0 | formycin | antineoplastic agent |
azaserine | [no description available] | medium | 1 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
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 | 2 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
mitobronitol | [no description available] | medium | 2 | 0 | alcohol; organobromine compound | |
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 |
thioguanine anhydrous | [no description available] | medium | 3 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
6-thioguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
streptozocin | [no description available] | medium | 4 | 0 | | |
ethionamide | [no description available] | medium | 4 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
thiocarlide | [no description available] | medium | 1 | 0 | thioureas | |
mannomustine | [no description available] | medium | 1 | 0 | amino alcohol | |
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 |
alprostadil | [no description available] | medium | 16 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
alprostadil | [no description available] | medium | 16 | 3 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 6 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
cynarine | [no description available] | medium | 3 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
7432 s | [no description available] | medium | 2 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
dihydrocodeine | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
ly 163892 | [no description available] | medium | 5 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
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 | 2 | 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 |
ramipril | [no description available] | medium | 6 | 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 |
nitrofurazone | [no description available] | medium | 2 | 0 | | |
ceftiofur | [no description available] | medium | 1 | 0 | | |
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 | 2 | 0 | | |
treosulfan | [no description available] | medium | 1 | 0 | methanesulfonate ester | |
nkp 608 | [no description available] | medium | 1 | 0 | | |
ganu | [no description available] | medium | 1 | 0 | | |
metamelfalan | [no description available] | medium | 1 | 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] | medium | 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 | 3 | 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 |
bactobolin | [no description available] | medium | 1 | 0 | amino acid amide | |
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 | | |
dan 2163 | [no description available] | medium | 4 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
alanine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion | fundamental 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 |
bremazocine | [no description available] | medium | 2 | 0 | | |
sucrose | [no description available] | medium | 4 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
aminopyrine | [no description available] | medium | 4 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
guanoxan | [no description available] | medium | 4 | 0 | benzodioxine | |
n-methylscopolamine | [no description available] | medium | 2 | 0 | | |
erlotinib | [no description available] | medium | 2 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
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 |
griseofulvin | [no description available] | medium | 6 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
dasatinib | [no description available] | medium | 3 | 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 |
proscillaridin | [no description available] | medium | 3 | 0 | organic molecular entity | |
ro 42-5892 | [no description available] | medium | 2 | 0 | cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone | antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent |
tiacrilast | [no description available] | medium | 2 | 0 | | |
pht 427 | [no description available] | medium | 1 | 0 | | |
fexofenadine | [no description available] | medium | 5 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
lomefloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
norfloxacin | [no description available] | medium | 8 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
levocarnitine | [no description available] | medium | 3 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
benazepril | [no description available] | medium | 3 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
1-methyl-3-isobutylxanthine | [no description available] | medium | 7 | 0 | 3-isobutyl-1-methylxanthine | |
miconazole | [no description available] | medium | 3 | 0 | dichlorobenzene; ether; imidazoles | |
niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid; pyridines | |
clonidine hydrochloride | [no description available] | medium | 1 | 0 | dichlorobenzene | |
ru 58841 | [no description available] | medium | 1 | 0 | | |
desoximetasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
enalapril maleate | [no description available] | medium | 3 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
acetic acid | [no description available] | medium | 2 | 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 | 5 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
bupropion | [no description available] | medium | 5 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
creatine | [no description available] | medium | 3 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lactic acid | [no description available] | medium | 15 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
lactic acid | [no description available] | medium | 15 | 5 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
dimethyl sulfoxide | [no description available] | medium | 2 | 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 | 8 | 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 | 6 | 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 | 16 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
glycerol | [no description available] | medium | 16 | 4 | 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 | 2 | 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 | 6 | 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 | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
4-aminobenzoic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant 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 | 2 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | medium | 3 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
catechin | [no description available] | medium | 1 | 0 | hydroxyflavan | |
menthol | [no description available] | medium | 2 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
acetohydroxamic acid | [no description available] | medium | 3 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
albendazole | [no description available] | medium | 4 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
ambroxol | [no description available] | medium | 6 | 0 | aromatic amine | |
ambroxol | [no description available] | medium | 6 | 1 | 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 |
anastrozole | [no description available] | medium | 3 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
anthralin | [no description available] | medium | 2 | 0 | anthracenes | antipsoriatic |
barbital | [no description available] | medium | 2 | 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 | 6 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bicalutamide | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
bay h 4502 | [no description available] | medium | 2 | 0 | biphenyls; imidazoles | |
bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea; organobromine compound | |
butalbital | [no description available] | medium | 2 | 0 | barbiturates | analgesic; sedative |
candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
carprofen | [no description available] | medium | 2 | 0 | carbazoles; organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug; photosensitizing agent |
chlormezanone | [no description available] | medium | 2 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
cinoxacin | [no description available] | medium | 2 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofibrate | [no description available] | medium | 4 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofazimine | [no description available] | medium | 4 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
clofibrate | [no description available] | medium | 7 | 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 | |
cyclandelate | [no description available] | medium | 2 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
cyproheptadine | [no description available] | medium | 5 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
cyproheptadine | [no description available] | medium | 5 | 1 | 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 |
ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
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 | 3 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
estazolam | [no description available] | medium | 2 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
ethoxzolamide | [no description available] | medium | 1 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
brl 42810 | [no description available] | medium | 6 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 4 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
flufenamic acid | [no description available] | medium | 3 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fomepizole | [no description available] | medium | 2 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
glafenine | [no description available] | medium | 2 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 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 | 1 | 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 | |
hydroxyzine | [no description available] | medium | 7 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
hydroxyzine | [no description available] | medium | 7 | 2 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
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 |
iodipamide | [no description available] | medium | 2 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
isoflurane | [no description available] | medium | 3 | 0 | organofluorine compound | inhalation anaesthetic |
2-propanol | [no description available] | medium | 4 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
isoxsuprine | [no description available] | medium | 25 | 0 | alkylbenzene | |
isoxsuprine | [no description available] | medium | 25 | 1 | alkylbenzene | |
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 | 4 | 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 |
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 | |
meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
mefenamic acid | [no description available] | medium | 4 | 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 |
vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
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 |
mitotane | [no description available] | medium | 2 | 0 | diarylmethane | |
modafinil | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 5 | 0 | monoterpenoid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
nialamide | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
nilutamide | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
nimesulide | [no description available] | medium | 3 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
masoprocol | [no description available] | medium | 1 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
oxamniquine | [no description available] | medium | 2 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
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 | 2 | 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 | 4 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pemoline | [no description available] | medium | 3 | 0 | 1,3-oxazoles | central nervous system stimulant |
perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
pinacidil | [no description available] | medium | 4 | 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 |
praziquantel | [no description available] | medium | 4 | 0 | isoquinolines | |
pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
rofecoxib | [no description available] | medium | 4 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
sevoflurane | [no description available] | medium | 1 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sibutramine | [no description available] | medium | 3 | 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 |
sulfadimethoxine | [no description available] | medium | 2 | 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 | 2 | 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 |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 2 | 0 | alkylbenzene | |
tiaprofenic acid | [no description available] | medium | 3 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
ticlopidine | [no description available] | medium | 4 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tiopronin | [no description available] | medium | 3 | 0 | N-acyl-amino acid | |
tolperisone | [no description available] | medium | 2 | 0 | aromatic ketone | |
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 | |
vigabatrin | [no description available] | medium | 4 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
ici 204,219 | [no description available] | medium | 5 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
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 | 2 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
phentolamine | [no description available] | medium | 43 | 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 |
sorbitol | [no description available] | medium | 5 | 2 | 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 | | |
dextroamphetamine | [no description available] | medium | 4 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
carbachol | [no description available] | medium | 39 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
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 | 2 | 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 | 2 | 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 | 6 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
glutamine | [no description available] | medium | 3 | 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 |
testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
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 | 2 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
uridine | [no description available] | medium | 1 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
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 | 10 | 0 | lactose | |
lactose | [no description available] | medium | 10 | 1 | lactose | |
methionine | [no description available] | medium | 3 | 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 | |
norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
medroxyprogesterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
mestranol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
methaqualone | [no description available] | medium | 1 | 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 | 5 | 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 | 2 | 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 |
allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichloroethylene | [no description available] | medium | 1 | 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 | 2 | 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 |
phenformin | [no description available] | medium | 4 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
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 | 5 | 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 | 2 | 0 | hexosamine; secondary amino compound | |
cinchophen | [no description available] | medium | 2 | 0 | quinolines | |
yohimbine | [no description available] | medium | 7 | 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] | high | 44 | 14 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
ephedrine | [no description available] | high | 44 | 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 | 3 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester; sterol ester | androgen |
aminophylline | [no description available] | high | 82 | 13 | mixture | bronchodilator agent; cardiotonic drug |
aminophylline | [no description available] | high | 82 | 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 | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
chenodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse 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 | 3 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
podophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
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 | | |
erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
d-alpha tocopherol | [no description available] | medium | 2 | 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 |
sulfadoxine | [no description available] | medium | 3 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acadesine | [no description available] | medium | 2 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
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 | 2 | 0 | aromatic amine | |
vidarabine | [no description available] | medium | 1 | 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 | 3 | 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 | 2 | 0 | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
levamisole | [no description available] | medium | 3 | 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 |
thiamphenicol | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
pizotyline | [no description available] | medium | 2 | 0 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
pizotyline | [no description available] | medium | 2 | 1 | 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 |
ursodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
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 | 3 | 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 | 3 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
pirprofen | [no description available] | medium | 2 | 0 | pyrroline | |
ticrynafen | [no description available] | medium | 2 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
bezafibrate | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
benoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
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 | |
desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
foscarnet sodium | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
nicorandil | [no description available] | medium | 2 | 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 |
atomoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
mifepristone | [no description available] | medium | 4 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
zileuton | [no description available] | medium | 4 | 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 |
clopidogrel | [no description available] | medium | 2 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
atorvastatin | [no description available] | medium | 3 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
duloxetine | [no description available] | medium | 2 | 0 | duloxetine | |
adefovir dipivoxil | [no description available] | medium | 2 | 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 |
adenosine | [no description available] | medium | 22 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
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 | |
nelfinavir | [no description available] | medium | 4 | 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 | 4 | 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 | |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
sertraline | [no description available] | medium | 3 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
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 | |
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 | |
lopinavir | [no description available] | medium | 3 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
sr141716 | [no description available] | medium | 2 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 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 |
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 | 3 | 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 |
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 | | |
olmesartan medoxomil | [no description available] | medium | 3 | 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 | 3 | 0 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
cariporide | [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 | 1 | 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 | 1 | 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 | 3 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
tbc-11251 | [no description available] | medium | 3 | 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 |
ritonavir | [no description available] | medium | 5 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
erythromycin estolate | [no description available] | medium | 2 | 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 |
doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
ao 128 | [no description available] | medium | 2 | 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 | 6 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
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 | 1 | 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 |
dactinomycin | [no description available] | medium | 2 | 0 | actinomycin | mutagen |
rubitecan | [no description available] | medium | 2 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
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 | 7 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium bicarbonate | [no description available] | medium | 7 | 1 | 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 | |
cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
capsaicin | [no description available] | medium | 9 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
capsaicin | [no description available] | medium | 9 | 1 | 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 | 3 | 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 |
toremifene | [no description available] | medium | 4 | 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 | |
orlistat | [no description available] | medium | 3 | 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 |
flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
dinoprostone | [no description available] | medium | 12 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | medium | 5 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
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 |
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 |
oxymetholone | [no description available] | medium | 3 | 0 | | |
mycophenolate mofetil | [no description available] | medium | 3 | 0 | carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound | anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug |
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 |
coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
tranilast | [no description available] | medium | 3 | 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 |
etretinate | [no description available] | medium | 3 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
isotretinoin | [no description available] | medium | 4 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
misoprostol | [no description available] | medium | 4 | 0 | | |
misoprostol | [no description available] | medium | 4 | 2 | | |
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 | 3 | 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 | 3 | 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 | 1 | 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 |
topiramate | [no description available] | medium | 4 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
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 | 2 | 0 | | |
furazolidone | [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 | 2 | 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 |
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 | 2 | 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 |
trandolapril | [no description available] | medium | 5 | 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 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 | |
dantrolene sodium | [no description available] | medium | 1 | 0 | | |
roxithromycin | [no description available] | medium | 4 | 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 |
fosinopril | [no description available] | medium | 3 | 0 | | |
eflucimibe | [no description available] | medium | 1 | 0 | | |
etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
pentagastrin | [no description available] | medium | 4 | 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 | 2 | 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 | |
mesna | [no description available] | medium | 5 | 0 | organosulfonic acid | |
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 | 2 | 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 | 1 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
phenprocoumon | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
lornoxicam | [no description available] | medium | 3 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
entecavir | [no description available] | medium | 3 | 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 |
oxypurinol | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
raltitrexed | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
alpha-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
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 | 3 | 0 | diarylmethane | |
bunitrolol | [no description available] | medium | 1 | 0 | aromatic ether | |
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 | |
diphenidol | [no description available] | medium | 1 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
doxylamine | [no description available] | medium | 2 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
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 | 3 | 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 |
fluphenazine depot | [no description available] | medium | 1 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
fluphenazine enanthate | [no description available] | medium | 1 | 0 | phenothiazines | |
flurazepam | [no description available] | medium | 2 | 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 | |
iodamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound | radioopaque medium |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
ketotifen | [no description available] | high | 14 | 3 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
ketotifen | [no description available] | high | 14 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
loxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
mesoridazine | [no description available] | medium | 3 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methocarbamol | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
nimetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
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 | 1 | 0 | aromatic amine | |
perhexiline | [no description available] | medium | 2 | 0 | piperidines | cardiovascular drug |
phenindione | [no description available] | medium | 2 | 0 | aromatic ketone; beta-diketone | anticoagulant |
pheniramine | [no description available] | medium | 3 | 0 | pyridines; tertiary amino compound | |
pyranoprofen | [no description available] | medium | 3 | 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 |
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 |
proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
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 | 9 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
succinylcholine | [no description available] | medium | 9 | 3 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
tiaramide | [no description available] | medium | 1 | 0 | benzothiazoles | |
tilorone | [no description available] | medium | 3 | 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 | 2 | 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 | 1 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
norethandrolone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
lysine | [no description available] | medium | 3 | 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 |
bretylium tosylate | [no description available] | medium | 2 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
gallamine triethiodide | [no description available] | medium | 1 | 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 | |
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 | 1 | 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 |
estradiol dipropionate | [no description available] | medium | 1 | 0 | steroid ester | |
paramethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant |
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 | |
prenylamine | [no description available] | medium | 1 | 0 | diarylmethane | |
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 | |
paraquat | [no description available] | medium | 1 | 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 | 3 | 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 | 2 | 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 | |
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 | |
halazepam | [no description available] | medium | 2 | 0 | organic molecular entity | |
feprazone | [no description available] | medium | 2 | 0 | organic molecular entity | |
halofantrine | [no description available] | medium | 2 | 0 | phenanthrenes | |
pergolide | [no description available] | medium | 2 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
doxofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-asthmatic drug; antitussive; bronchodilator agent |
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 | | |
moexipril | [no description available] | medium | 3 | 0 | peptide | |
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 | 1 | 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 | |
betamethasone acetate | [no description available] | medium | 1 | 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 | |
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 | | |
thiothixene | [no description available] | medium | 2 | 0 | N-methylpiperazine | anticoronaviral agent |
benztropine | [no description available] | medium | 2 | 0 | diarylmethane | |
1,4-benzoquinone guanylhydrazone thiosemicarbazone | [no description available] | medium | 1 | 0 | | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
albutoin | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
iodothiouracil | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
bilirubin | [no description available] | medium | 2 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
ethchlorvynol | [no description available] | medium | 1 | 0 | | |
rokitamycin | [no description available] | medium | 1 | 0 | organic molecular entity | |
epoprostenol | [no description available] | medium | 2 | 0 | prostaglandins I | mouse metabolite |
triprolidine | [no description available] | medium | 4 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
cloprednol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
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 | |
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 | 3 | 0 | | |
bephenium hydroxynaphthoate | [no description available] | medium | 1 | 0 | | |
viomycin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
fosmidomycin | [no description available] | medium | 2 | 0 | hydroxamic acid; phosphonic acids | antimicrobial agent; bacterial metabolite; EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor |
gallopamil | [no description available] | medium | 2 | 0 | benzenes; organic amino compound | |
azosemide | [no description available] | medium | 1 | 0 | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
oxatomide | [no description available] | medium | 2 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
pirbuterol | [no description available] | medium | 7 | 0 | pyridines | |
propiverine | [no description available] | medium | 1 | 0 | diarylmethane | |
saccharin | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
sultopride | [no description available] | medium | 2 | 0 | salicylamides | |
trapidil | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
chloroform | [no description available] | medium | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
cycloserine | [no description available] | medium | 3 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
reproterol | [no description available] | medium | 9 | 0 | oxopurine | |
reproterol | [no description available] | medium | 9 | 2 | oxopurine | |
cromolyn sodium | [no description available] | high | 47 | 11 | organic sodium salt | anti-asthmatic drug; drug allergen |
cromolyn sodium | [no description available] | high | 47 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
carfecillin | [no description available] | medium | 1 | 0 | penicillin | |
piroximone | [no description available] | medium | 1 | 0 | | |
5-propynylarabinofuranosyluracil | [no description available] | medium | 2 | 0 | | |
tenidap | [no description available] | medium | 3 | 0 | | |
mifobate | [no description available] | medium | 1 | 0 | trialkyl phosphate | |
pafenolol | [no description available] | medium | 4 | 0 | | |
pafenolol | [no description available] | medium | 4 | 1 | | |
tolmesoxide | [no description available] | medium | 1 | 0 | | |
phenglutarimide | [no description available] | medium | 1 | 0 | piperidines | |
ouabain | [no description available] | medium | 28 | 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 |
ouabain | [no description available] | medium | 28 | 2 | 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 |
sorivudine | [no description available] | medium | 1 | 0 | organic molecular entity | |
acrivastine | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
oxyfedrine | [no description available] | medium | 2 | 0 | aromatic ketone | |
cci 15641 | [no description available] | medium | 2 | 0 | cephalosporin | |
atropine sulfate | [no description available] | medium | 1 | 0 | | |
valproate sodium | [no description available] | medium | 2 | 0 | organic sodium salt | geroprotector |
sodium iothalamate | [no description available] | medium | 2 | 0 | | |
sudoxicam | [no description available] | medium | 1 | 0 | | |
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 |
alendronate | [no description available] | medium | 2 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
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 |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
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 |
sulforaphane | [no description available] | medium | 2 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
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 |
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 | 2 | 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 | 3 | 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 | 44 | 0 | naphthoic acid | |
salmeterol xinafoate | [no description available] | medium | 44 | 22 | naphthoic acid | |
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 |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
artemether | [no description available] | medium | 2 | 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 | | |
aceclofenac | [no description available] | medium | 4 | 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 |
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 | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
artemotil | [no description available] | medium | 1 | 0 | artemisinin derivative | |
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 | | |
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 | | |
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 | |
benserazide | [no description available] | medium | 2 | 0 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
phenylalanine | [no description available] | medium | 6 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
dexverapamil | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor |
inogatran | [no description available] | medium | 1 | 0 | | |
lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
ciglitazone | [no description available] | medium | 2 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 2 | 0 | sulfonamide | |
nadolol | [no description available] | medium | 3 | 0 | tetralins | |
neostigmine | [no description available] | high | 3 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
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 |
pirinixic acid | [no description available] | medium | 2 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
zonisamide | [no description available] | medium | 3 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
tubocurarine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
1-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | insecticide |
antimycin a | [no description available] | medium | 2 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
selegiline hydrochloride, (r)-isomer | [no description available] | medium | 2 | 0 | hydrochloride; terminal acetylenic compound | antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor |
lapatinib | [no description available] | medium | 2 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
sorafenib | [no description available] | medium | 2 | 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 |
vincaleukoblastine | [no description available] | medium | 3 | 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 |
wortmannin | [no description available] | medium | 2 | 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 |
cinnarizine | [no description available] | medium | 2 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
valinomycin | [no description available] | medium | 3 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
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 |
l 660,711 | [no description available] | medium | 2 | 0 | quinolines | |
cromolyn | [no description available] | medium | 1 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
iotroxic acid | [no description available] | medium | 1 | 0 | organic molecular entity | |
isocarboxazid | [no description available] | medium | 2 | 0 | benzenes | |
phthalylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; dicarboxylic acid monoamide; sulfonamide antibiotic; sulfonamide | |
quetiapine | [no description available] | medium | 2 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
succinylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
edetic acid | [no description available] | medium | 2 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
benzydamine | [no description available] | medium | 2 | 0 | aromatic ether; indazoles; tertiary amino compound | analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug |
almitrine | [no description available] | medium | 2 | 0 | piperazines; triamino-1,3,5-triazine | central nervous system stimulant |
nedocromil | [no description available] | high | 7 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
tolrestat | [no description available] | medium | 2 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
arbekacin | [no description available] | medium | 1 | 0 | aminoglycoside; kanamycins | antibacterial agent; antibacterial drug; antimicrobial agent; protein synthesis inhibitor |
acamprosate | [no description available] | medium | 2 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
brivudine | [no description available] | medium | 1 | 0 | | |
cefpodoxime proxetil | [no description available] | medium | 2 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
lucifer yellow | [no description available] | medium | 2 | 0 | organic lithium salt | fluorochrome |
bl 4162a | [no description available] | medium | 2 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
alminoprofen | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; secondary amino compound; substituted aniline | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
amfenac | [no description available] | medium | 1 | 0 | amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
loxoprofen | [no description available] | medium | 1 | 0 | cyclopentanones; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
propantheline | [no description available] | medium | 4 | 0 | xanthenes | |
cn 100 | [no description available] | medium | 1 | 0 | organic molecular entity | |
taurocholic acid | [no description available] | medium | 2 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
tiotidine | [no description available] | medium | 1 | 0 | thiazoles | |
befloxatone | [no description available] | medium | 1 | 0 | | |
ibuproxam | [no description available] | medium | 1 | 0 | hydroxamic acid | iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluparoxan | [no description available] | medium | 1 | 0 | | |
indobufen | [no description available] | medium | 1 | 0 | isoindoles | |
arginine vasopressin | [no description available] | medium | 4 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
olopatadine | [no description available] | medium | 1 | 0 | | |
formoterol fumarate | [no description available] | medium | 2 | 0 | formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound | |
isoetharine | [no description available] | medium | 13 | 0 | catecholamine | |
isoetharine | [no description available] | medium | 13 | 2 | catecholamine | |
nisoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
ritodrine | [no description available] | medium | 1 | 0 | 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol | |
melatonin | [no description available] | medium | 4 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
amlexanox | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amoxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
astemizole | [no description available] | medium | 1 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
benzocaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
bronopol | [no description available] | medium | 1 | 0 | nitro compound | |
ciclopirox | [no description available] | medium | 1 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
cilostazol | [no description available] | medium | 2 | 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 |
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 |
ebastine | [no description available] | medium | 1 | 0 | organic molecular entity | |
4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
piracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
ono 1078 | [no description available] | medium | 2 | 0 | chromones | |
sulfanitran | [no description available] | medium | 1 | 0 | sulfonamide | |
tazarotene | [no description available] | medium | 1 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
tiapride | [no description available] | medium | 1 | 0 | benzamides | |
nikethamide | [no description available] | medium | 2 | 0 | pyridinecarboxamide | |
tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
thenoyltrifluoroacetone | [no description available] | medium | 1 | 0 | | |
undecylenic acid | [no description available] | medium | 1 | 0 | undecenoic acid | antifungal drug; plant metabolite |
triamcinolone diacetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
procarbazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
dimenhydrinate | [no description available] | medium | 2 | 0 | diarylmethane | |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
ethambutol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antitubercular agent |
pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
etidronate disodium | [no description available] | medium | 1 | 0 | organic sodium salt | antineoplastic agent; bone density conservation agent; chelator |
mafenide acetate | [no description available] | medium | 1 | 0 | carboxylic acid | |
diacerein | [no description available] | medium | 1 | 0 | anthraquinone | |
pancuronium bromide | [no description available] | medium | 1 | 0 | bromide salt | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
carbidopa | [no description available] | medium | 2 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
nitazoxanide | [no description available] | medium | 2 | 0 | benzamides; carboxylic ester | |
acarbose | [no description available] | medium | 2 | 0 | tetrasaccharide derivative | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; geroprotector; hypoglycemic agent |
atracurium besylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | muscle relaxant; nicotinic antagonist |
pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
fenoldopam mesylate | [no description available] | medium | 1 | 0 | benzazepine | |
stepronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
cabergoline | [no description available] | medium | 2 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
sertindole | [no description available] | medium | 1 | 0 | heteroarylpiperidine; imidazolidinone; organochlorine compound; organofluorine compound; phenylindole | alpha-adrenergic antagonist; H1-receptor antagonist; second generation antipsychotic; serotonergic antagonist |
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 |
aromasil | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
gemcitabine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organofluorine compound | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent |
atorvastatin calcium anhydrous | [no description available] | medium | 1 | 0 | organic calcium salt | |
duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
emtricitabine | [no description available] | medium | 2 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
bupropion hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
trazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
mevastatin | [no description available] | medium | 1 | 0 | 2-pyranones; carboxylic ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | antifungal agent; apoptosis inducer; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; fungal metabolite; Penicillium metabolite |
bupivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; racemate | adrenergic antagonist; amphiphile; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; local anaesthetic |
plerixafor | [no description available] | medium | 2 | 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 |
ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
epirubicin hydrochloride | [no description available] | medium | 1 | 0 | | |
pazufloxacin | [no description available] | medium | 1 | 0 | quinolines | |
miconazole nitrate | [no description available] | medium | 1 | 0 | | |
artemisinin | [no description available] | medium | 1 | 0 | organic peroxide; sesquiterpene lactone | antimalarial; plant metabolite |
brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thienothiazine | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
drospirenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; steroid lactone | aldosterone antagonist; contraceptive drug; progestin |
hp 873 | [no description available] | medium | 2 | 0 | 1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound | dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
uroxatral | [no description available] | medium | 1 | 0 | hydrochloride | |
thiocolchicoside | [no description available] | medium | 1 | 0 | glycoside | |
doripenem | [no description available] | medium | 2 | 0 | carbapenems | |
tamiflu | [no description available] | medium | 1 | 0 | phosphate salt | |
bexarotene | [no description available] | medium | 2 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
s20098 | [no description available] | medium | 1 | 0 | acetamides | |
flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
ketorolac tromethamine | [no description available] | medium | 1 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
gliquidone | [no description available] | medium | 1 | 0 | isoquinolines | |
moxifloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug |
fulvestrant | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
racecadotril | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
tadalafil | [no description available] | medium | 2 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
plavix | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt; organoammonium sulfate salt | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
valdecoxib | [no description available] | medium | 2 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
desloratadine | [no description available] | medium | 2 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
abiraterone | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor |
febuxostat | [no description available] | medium | 2 | 0 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
lexapro | [no description available] | medium | 1 | 0 | | |
docetaxel anhydrous | [no description available] | medium | 2 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing 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 |
telbivudine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
ramelteon | [no description available] | medium | 2 | 0 | indanes | |
tolvaptan | [no description available] | medium | 2 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
lenalidomide | [no description available] | medium | 2 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
lacosamide | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
vincristine sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
perindopril erbumine | [no description available] | medium | 1 | 0 | addition compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
rocuronium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent |
pemirolast potassium salt | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
loteprednol etabonate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester | anti-inflammatory drug |
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 |
valrubicin | [no description available] | medium | 1 | 0 | anthracycline; trifluoroacetamide | |
posaconazole | [no description available] | medium | 2 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
trilostane | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile | abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor |
leuprolide acetate | [no description available] | medium | 1 | 0 | acetate salt | antineoplastic agent; gonadotropin releasing hormone agonist |
levosulpiride | [no description available] | medium | 1 | 0 | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
eszopiclone | [no description available] | medium | 2 | 0 | zopiclone | central nervous system depressant; sedative |
epalrestat | [no description available] | medium | 1 | 0 | monocarboxylic acid; thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
latoconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug | |
maraviroc | [no description available] | medium | 2 | 0 | tropane alkaloid | |
toremifene citrate | [no description available] | medium | 1 | 0 | stilbenoid | anticoronaviral agent |
azilect | [no description available] | medium | 1 | 0 | | |
vitamin d 2 | [no description available] | medium | 2 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
dexchlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
travoprost | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist |
imipenem | [no description available] | medium | 1 | 0 | carbapenems | |
ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
rosuvastatin calcium | [no description available] | medium | 1 | 0 | N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine; organic calcium salt | anti-inflammatory agent; cardioprotective agent; CETP inhibitor |
terbinafine hydrochloride | [no description available] | medium | 1 | 0 | allylamine antifungal drug; hydrochloride | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor |
acipimox | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | |
atosiban | [no description available] | medium | 9 | 0 | oligopeptide | |
atosiban | [no description available] | medium | 9 | 2 | oligopeptide | |
bimatoprost | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antiglaucoma drug; antihypertensive agent |
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 |
pregabalin | [no description available] | medium | 2 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
alvimopan anhydrous | [no description available] | medium | 2 | 0 | peptide | |
tenofovir disoproxil fumarate | [no description available] | medium | 1 | 0 | fumarate salt | antiviral drug; HIV-1 reverse transcriptase inhibitor; prodrug |
dexbrompheniramine maleate | [no description available] | medium | 1 | 0 | brompheniramine maleate | anti-allergic agent; H1-receptor antagonist |
rifaximin | [no description available] | medium | 2 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative | antimicrobial agent; gastrointestinal drug; orphan drug |
everolimus | [no description available] | medium | 2 | 0 | cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol | anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor |
fluphenazine | [no description available] | medium | 1 | 0 | | |
cefdinir | [no description available] | medium | 3 | 0 | cephalosporin; ketoxime | antibacterial drug |
bisoprolol, fumarate (1:1) salt | [no description available] | medium | 1 | 0 | | |
etoposide phosphate | [no description available] | medium | 1 | 0 | furonaphthodioxole | |
ciclesonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
dutasteride | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; aza-steroid; delta-lactam | antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
tekturna | [no description available] | medium | 1 | 0 | fumarate salt | antihypertensive agent |
vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
sgd 301-76 | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | antiinfective agent |
fluvoxamine maleate | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
dexlansoprazole | [no description available] | medium | 2 | 0 | benzimidazoles; sulfoxide | |
gemifloxacin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antimicrobial agent; topoisomerase IV inhibitor |
rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
hki 272 | [no description available] | medium | 1 | 0 | nitrile; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
tofacitinib | [no description available] | medium | 1 | 0 | N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound | antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
pazopanib | [no description available] | medium | 2 | 0 | aminopyrimidine; indazoles; sulfonamide | angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
amg 009 | [no description available] | medium | 1 | 0 | | |
cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
losartan potassium | [no description available] | medium | 4 | 0 | | |
dactolisib | [no description available] | medium | 1 | 0 | imidazoquinoline; nitrile; quinolines; ring assembly; ureas | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
rabeprazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
bivalirudin | [no description available] | medium | 2 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
somatostatin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide; peptide hormone | |
warfarin sodium | [no description available] | medium | 1 | 0 | | |
pravastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt; statin (semi-synthetic) | anticholesteremic drug |
alendronate sodium | [no description available] | medium | 1 | 0 | | |
sl 80.0750 | [no description available] | medium | 1 | 0 | | |
clavulanate potassium | [no description available] | medium | 1 | 0 | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
azlocillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
minocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
valtrex | [no description available] | medium | 1 | 0 | organic molecular entity | |
citrovorum factor | [no description available] | medium | 2 | 0 | tetrahydrofolic acid | |
rifapentine | [no description available] | medium | 2 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
sildenafil citrate | [no description available] | medium | 1 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
tegaserod maleate | [no description available] | medium | 1 | 0 | maleate salt | serotonergic agonist |
gamma-aminobutyric acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
beta-alanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
formic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
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 |
dihydroxyphenylalanine | [no description available] | medium | 2 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
pyridoxamine | [no description available] | medium | 1 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
arecoline | [no description available] | medium | 1 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
carbidopa | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
cyclobenzaprine | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | topical anaesthetic |
fendiline | [no description available] | medium | 1 | 0 | diarylmethane | |
flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
mephentermine | [no description available] | medium | 1 | 0 | amphetamines | |
methoxyphenamine | [no description available] | medium | 3 | 0 | amphetamines | beta-adrenergic agonist; bronchodilator agent |
3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
oxotremorine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine | |
periciazine | [no description available] | medium | 1 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
trimeprazine | [no description available] | medium | 1 | 0 | phenothiazines | |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
aspartic acid | [no description available] | medium | 2 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
tyrosine | [no description available] | medium | 4 | 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 |
tyrosine | [no description available] | medium | 4 | 1 | 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 |
ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
tromethamine | [no description available] | medium | 3 | 0 | primary amino compound; triol | buffer |
brompheniramine | [no description available] | medium | 5 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
2-naphthoic acid | [no description available] | medium | 1 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
mecoprop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
deanol | [no description available] | medium | 1 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
4-methylmorpholine | [no description available] | medium | 1 | 0 | | |
n-butylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
piperidine | [no description available] | medium | 1 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
morpholine | [no description available] | medium | 1 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
hexahydroazepine | [no description available] | medium | 1 | 0 | azacycloalkane; azepanes; saturated organic heteromonocyclic parent | |
n-methylpyrrolidine | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
aziridine | [no description available] | medium | 1 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
dibenzepin | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
trifluoroethylamine | [no description available] | medium | 1 | 0 | | |
2-fluoroethylamine | [no description available] | medium | 1 | 0 | | |
arecaidine | [no description available] | medium | 1 | 0 | citraconoyl group | |
azetidine | [no description available] | medium | 1 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
gluconic acid | [no description available] | medium | 1 | 0 | gluconic acid | chelator; Penicillium metabolite |
aminopenicillanic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; penicillanic acids | allergen |
glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
n,n-dimethylethylamine | [no description available] | medium | 1 | 0 | | |
diethylmethylamine | [no description available] | medium | 1 | 0 | | |
glycine ethyl ester | [no description available] | medium | 1 | 0 | | |
n-methylpiperidine | [no description available] | medium | 1 | 0 | | |
tempidon | [no description available] | medium | 1 | 0 | piperidones | |
clopyralid | [no description available] | medium | 1 | 0 | organochlorine pesticide; pyridines | herbicide |
dimethylaminopropionitrile | [no description available] | medium | 1 | 0 | | |
5-phenylvaleric acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
pyrrolidine | [no description available] | medium | 1 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
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 |
propamocarb | [no description available] | medium | 1 | 0 | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
phenyl-2-aminoethyl sulfide | [no description available] | medium | 1 | 0 | | |
Flamprop | [no description available] | medium | 1 | 0 | benzamides | |
d-lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
thiamorpholine | [no description available] | medium | 1 | 0 | saturated organic heteromonocyclic parent; thiomorpholines | |
glycyl-glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | | |
carazolol | [no description available] | medium | 1 | 0 | carbazoles | |
oleandomycin | [no description available] | medium | 1 | 0 | oleandomycins | |
phenylalanyl-phenylalanyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
3-(4-methoxybenzoyl)propionic acid | [no description available] | medium | 1 | 0 | | |
dimethylaminopropanol | [no description available] | medium | 1 | 0 | | |
4-phenylbutylamine | [no description available] | medium | 1 | 0 | benzenes; phenylalkylamine; primary amino compound | |
glycinexylidide | [no description available] | medium | 1 | 0 | amino acid amide | drug metabolite |
Trp-Trp | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
kampirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
isopelletierine | [no description available] | medium | 1 | 0 | citraconoyl group | |
fenpropimorph | [no description available] | medium | 1 | 0 | alkylbenzene | |
1-(2-pyridinyl)piperazine | [no description available] | medium | 1 | 0 | | |
l-lactic acid | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
deramciclane | [no description available] | medium | 1 | 0 | | |
aspartame | [no description available] | medium | 1 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
norpseudoephedrine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
e-z cinnamic acid | [no description available] | medium | 1 | 0 | cinnamic acid | plant metabolite |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
doxepin hydrochloride | [no description available] | medium | 1 | 0 | | |
4-methylumbelliferyl glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; coumarins; monosaccharide derivative | chromogenic compound |
tylosin | [no description available] | medium | 1 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
codeine phosphate | [no description available] | medium | 1 | 0 | | |
dihydromorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
heroin | [no description available] | medium | 1 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-3-glucuronide | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
rosaramicin | [no description available] | medium | 1 | 0 | aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative | bacterial metabolite |
phenylalanylphenylalanine | [no description available] | medium | 1 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human blood serum metabolite; Mycoplasma genitalium metabolite |
norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | [no description available] | medium | 1 | 0 | | |
decanoylcarnitine | [no description available] | medium | 1 | 0 | decanoate ester; O-acylcarnitine | human urinary metabolite |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
alaproclate | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
bethanechol | [no description available] | medium | 3 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
pentetic acid | [no description available] | medium | 3 | 0 | pentacarboxylic acid | copper chelator |
pentetic acid | [no description available] | medium | 3 | 1 | pentacarboxylic acid | copper chelator |
edrophonium | [no description available] | medium | 2 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
fipexide | [no description available] | medium | 1 | 0 | benzodioxoles | |
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 | 18 | 0 | methoxybenzenes | |
guaifenesin | [no description available] | medium | 18 | 2 | methoxybenzenes | |
guaifenesin | [no description available] | medium | 18 | 4 | methoxybenzenes | |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
ioversol | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
mecamylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
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 |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
midodrine | [no description available] | medium | 1 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
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 |
sch 16134 | [no description available] | medium | 1 | 0 | benzodiazepine | |
rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
tyramine | [no description available] | medium | 5 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
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 |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
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 | |
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 |
methsuximide | [no description available] | medium | 1 | 0 | organic molecular entity | |
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 | 3 | 0 | ergoline alkaloid | |
4-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
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 |
ibufenac | [no description available] | medium | 1 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
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 |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
laxagetten 4,4'-diacetoxydiphenylpyridylemethane | [no description available] | medium | 1 | 0 | | |
alclofenac | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
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 | |
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 |
fialuridine | [no description available] | medium | 1 | 0 | | |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
balsalazide | [no description available] | medium | 1 | 0 | | |
alpidem | [no description available] | medium | 1 | 0 | imidazoles | |
fosphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
tasosartan | [no description available] | medium | 1 | 0 | biphenyls | |
tiludronic acid | [no description available] | medium | 1 | 0 | organochlorine compound | |
fenofibric acid | [no description available] | medium | 1 | 0 | aromatic ketone; chlorobenzophenone; monocarboxylic acid | drug metabolite; marine xenobiotic metabolite |
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 | |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
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 |
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 |
pralnacasan | [no description available] | medium | 1 | 0 | | |
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 | | |
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 | | |
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 |
darunavir | [no description available] | medium | 1 | 0 | carbamate ester; furofuran; sulfonamide | antiviral drug; HIV protease inhibitor |
regadenoson | [no description available] | medium | 1 | 0 | purine nucleoside | |
metyrosine | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
clindamycin phosphate | [no description available] | medium | 1 | 0 | | |
octreotide | [no description available] | medium | 1 | 0 | | |
arsenic trioxide | [no description available] | medium | 1 | 0 | arsenic oxide | antineoplastic agent; insecticide |
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 |
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 |
succimer | [no description available] | medium | 1 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
aplaviroc | [no description available] | medium | 1 | 0 | | |
dermatan sulfate | [no description available] | medium | 1 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
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 |
hemabate | [no description available] | medium | 1 | 0 | | |
ethamolin | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
nabilone | [no description available] | medium | 2 | 0 | | |
nabilone | [no description available] | medium | 2 | 1 | | |
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 |
goserelin | [no description available] | medium | 1 | 0 | organic molecular entity | |
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 | | |
trientine hydrochloride | [no description available] | medium | 1 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
pafuramidine | [no description available] | medium | 1 | 0 | | |
aliskiren | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
cefpodoxime | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | 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 |
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 |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 8 | 0 | oligopeptide | |
sincalide | [no description available] | medium | 8 | 1 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
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 |
nystatin a1 | [no description available] | medium | 1 | 0 | nystatins | |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
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 |
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 |
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 |
fertinex | [no description available] | medium | 1 | 0 | | |
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 |
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 |
chs 828 | [no description available] | medium | 1 | 0 | aromatic ether | |
fk 866 | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
sodium nitrite | [no description available] | medium | 1 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
dimyristoylphosphatidylcholine | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
ovalbumin | [no description available] | medium | 14 | 0 | | |
magnesium sulfate | [no description available] | medium | 52 | 10 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
silver | [no description available] | medium | 1 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
budesonide, formoterol fumarate drug combination | [no description available] | medium | 10 | 8 | | |
dsp 4 | [no description available] | medium | 1 | 0 | | |
ici 118551 | [no description available] | medium | 25 | 1 | aromatic ether; indanes; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
chitosan | [no description available] | medium | 4 | 0 | | |
enrofloxacin | [no description available] | medium | 1 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
phenyl acetate | [no description available] | medium | 13 | 1 | benzenes; phenyl acetates | |
4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound; phenyl acetates | |
carbofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
carbamates | [no description available] | medium | 4 | 0 | amino-acid anion | |
nitrophenols | [no description available] | medium | 2 | 0 | | |
betadex | [no description available] | medium | 15 | 0 | cyclodextrin | |
gold | [no description available] | medium | 4 | 0 | copper group element atom; elemental gold | |
n-methylnaloxone | [no description available] | medium | 1 | 0 | | |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
colforsin | [no description available] | medium | 49 | 1 | acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol | adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist |
n-((4-methoxy)-2-naphthyl)-5-nitroanthranilic acid | [no description available] | medium | 1 | 0 | | |
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | [no description available] | medium | 35 | 14 | 21-hydroxy steroid | |
cardiovascular agents | [no description available] | medium | 2 | 0 | | |
bucladesine | [no description available] | medium | 34 | 0 | 3',5'-cyclic purine nucleotide | |
tiotropium bromide | [no description available] | medium | 4 | 4 | | |
isoprene | [no description available] | medium | 2 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 2 | 0 | | |
aldosterone | [no description available] | medium | 5 | 2 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
indacaterol | [no description available] | medium | 2 | 0 | indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
glycopyrrolate | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | |
aclidinium bromide | [no description available] | medium | 1 | 0 | organic bromide salt; quaternary ammonium salt | bronchodilator agent; muscarinic antagonist |
carbostyril | [no description available] | medium | 3 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
vasotocin | [no description available] | medium | 8 | 2 | | |
hexoprenaline | [no description available] | medium | 16 | 2 | | |
urethane acrylate | [no description available] | medium | 1 | 0 | | |
ozone | [no description available] | medium | 1 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
muramidase | [no description available] | medium | 3 | 0 | | |
aluminum | [no description available] | medium | 3 | 0 | boron group element atom; elemental aluminium; metal atom | |
methane | [no description available] | medium | 2 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
hydrogen sulfide | [no description available] | medium | 2 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
clorprenaline | [no description available] | medium | 4 | 0 | ethanolamines; monochlorobenzenes; secondary amino compound | |
tolterodine tartrate | [no description available] | medium | 1 | 0 | tartrate salt | |
trantinterol | [no description available] | medium | 1 | 0 | | |
heptakis(2,6-o-dimethyl)beta-cyclodextrin | [no description available] | medium | 1 | 0 | | |
maltodextrin | [no description available] | medium | 1 | 1 | | |
propylene glycol | [no description available] | medium | 1 | 1 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
glucuronic acid | [no description available] | medium | 1 | 1 | D-glucuronic acid | algal metabolite |
hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
pyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
tocopherols | [no description available] | medium | 1 | 0 | | |
barusiban | [no description available] | medium | 1 | 0 | | |
ambenonium chloride | [no description available] | medium | 1 | 0 | organic chloride salt; quaternary ammonium salt | EC 3.1.1.8 (cholinesterase) inhibitor; neurotransmitter agent |
palmitic acid | [no description available] | medium | 2 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
glycogen | [no description available] | medium | 2 | 1 | | |
interleukin-8 | [no description available] | medium | 6 | 1 | | |
ractopamine | [no description available] | medium | 5 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
limonene | [no description available] | medium | 2 | 0 | cycloalkene; p-menthadiene | human metabolite |
luminol | [no description available] | medium | 3 | 0 | | |
sodium sulfide | [no description available] | medium | 1 | 0 | | |
methylprednisolone hemisuccinate | [no description available] | medium | 1 | 0 | corticosteroid hormone; hemisuccinate | |
phosphocreatine | [no description available] | medium | 2 | 1 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
triisopropanolamine | [no description available] | medium | 1 | 0 | amino alcohol | |
diisopropanolamine | [no description available] | medium | 1 | 0 | aminodiol; secondary alcohol; secondary amino compound | buffer; emulsifier; surfactant |
phenolsulfonphthalein | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
isostearate | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
caprylates | [no description available] | medium | 1 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
2-chloromandelic acid | [no description available] | medium | 1 | 0 | | |
methacholine chloride | [no description available] | medium | 29 | 12 | quaternary ammonium salt | |
herbimycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; lactam; macrocycle | antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor |
xylazine | [no description available] | medium | 3 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
vilanterol | [no description available] | medium | 1 | 0 | benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
erythritol | [no description available] | medium | 1 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
zirconium | [no description available] | medium | 1 | 0 | titanium group element atom | |
deuterium | [no description available] | medium | 3 | 0 | dihydrogen | |
phloroglucinol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | algal metabolite |
melamine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | xenobiotic metabolite |
natriuretic peptide, c-type | [no description available] | medium | 1 | 0 | | |
fluticasone | [no description available] | medium | 9 | 4 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
okadaic acid | [no description available] | medium | 1 | 0 | ketal | |
iik7 | [no description available] | medium | 1 | 0 | | |
butoxamine | [no description available] | medium | 20 | 0 | | |
tetramethylpyrazine | [no description available] | medium | 1 | 1 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
pyrazines | [no description available] | medium | 1 | 1 | diazine; pyrazines | Daphnia magna metabolite |
pyridostigmine bromide | [no description available] | medium | 1 | 1 | pyridinium salt | |
uridine triphosphate | [no description available] | medium | 5 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
4-hydroxy-3-methoxymethamphetamine | [no description available] | medium | 1 | 0 | | |
sodium hydroxide | [no description available] | medium | 2 | 0 | alkali metal hydroxide | |
chlorine | [no description available] | medium | 26 | 1 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
methanesulfonic acid | [no description available] | medium | 1 | 0 | alkanesulfonic acid; one-carbon compound | Escherichia coli metabolite |
diphenhydramine hydrochloride | [no description available] | medium | 7 | 1 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
n-(ethoxycarbonylmethyl)-6-methoxyquinolinium | [no description available] | medium | 1 | 0 | | |
5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 2 | 0 | nitrobenzoic acid | |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 3 | 0 | | |
europium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
potassium chloride | [no description available] | medium | 9 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
3,5-dibromotyrosine | [no description available] | medium | 1 | 1 | monocarboxylic acid | |
3-bromotyrosine | [no description available] | medium | 1 | 1 | monocarboxylic acid | |
eudragit rs | [no description available] | medium | 2 | 0 | | |
rolipram | [no description available] | medium | 7 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
roflumilast | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor |
alpha-aminopyridine | [no description available] | medium | 3 | 0 | | |
salicylates | [no description available] | medium | 2 | 0 | monohydroxybenzoate | plant metabolite |
zinc chloride | [no description available] | medium | 1 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
trimethaphan | [no description available] | medium | 3 | 0 | sulfonium compound | anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent |
h 89 | [no description available] | medium | 5 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
cyclosporine | [no description available] | medium | 2 | 0 | | |
ethyl cellulose | [no description available] | medium | 3 | 0 | glycoside | |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
cellulose | [no description available] | medium | 4 | 0 | glycoside | |
fumaric acid | [no description available] | medium | 1 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
methylcellulose | [no description available] | medium | 3 | 0 | | |
fumarates | [no description available] | medium | 1 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
cl 316243 | [no description available] | medium | 2 | 0 | | |
angiotensin ii | [no description available] | medium | 7 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
methoxamine | [no description available] | medium | 9 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
hexamethonium | [no description available] | medium | 3 | 0 | quaternary ammonium salt | |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 1 | 0 | | |
phosphatidylcholines | [no description available] | medium | 40 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
phorbolol myristate acetate | [no description available] | medium | 1 | 0 | | |
tetradecanoylphorbol acetate | [no description available] | medium | 35 | 0 | acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester | antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator |
sq-23377 | [no description available] | medium | 15 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
chelerythrine | [no description available] | medium | 1 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
bisindolylmaleimide i | [no description available] | medium | 1 | 0 | | |
imidazole | [no description available] | medium | 1 | 0 | imidazole | |
zinc sulfate | [no description available] | medium | 1 | 0 | metal sulfate; zinc molecular entity | fertilizer |
deoxyglucose | [no description available] | medium | 1 | 0 | | |
fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
insulin glargine | [no description available] | medium | 1 | 1 | | |
bedoradrine | [no description available] | medium | 1 | 0 | | |
brefeldin a | [no description available] | medium | 2 | 0 | macrolide antibiotic | Penicillium metabolite |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
acepromazine | [no description available] | medium | 1 | 0 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
dantrolene | [no description available] | medium | 3 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
detomidine | [no description available] | medium | 1 | 0 | | |
technetium tc 99m sulfur colloid | [no description available] | medium | 1 | 1 | | |
chlorine | [no description available] | medium | 6 | 1 | diatomic chlorine; gas molecular entity | bleaching agent |
omega-n-methylarginine | [no description available] | medium | 2 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
thapsigargin | [no description available] | medium | 3 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
nitrates | [no description available] | medium | 3 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
n-acetylphenylalanine | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; phenylalanine derivative | antidepressant; metabolite |
ng-nitroarginine methyl ester | [no description available] | medium | 3 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
muscarine | [no description available] | medium | 2 | 0 | monosaccharide | |
tetraisopropylpyrophosphamide | [no description available] | medium | 1 | 0 | phosphoramide | |
rhodamine 6g | [no description available] | medium | 2 | 0 | | |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 11 | 0 | adenosines; monocarboxylic acid amide | adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
jasplakinolide | [no description available] | medium | 1 | 0 | cyclodepsipeptide; phenols | actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent |
mercuric chloride | [no description available] | medium | 1 | 0 | mercury coordination entity | sensitiser |
potassium permanganate | [no description available] | medium | 1 | 0 | | |
dibutyryl cyclic gmp | [no description available] | medium | 3 | 0 | | |
sodium glutamate | [no description available] | medium | 1 | 0 | monosodium glutamate | flavouring agent |
hydrogen | [no description available] | medium | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
chlorpyrifos | [no description available] | medium | 6 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
mannans | [no description available] | medium | 1 | 0 | | |
methylene blue | [no description available] | medium | 1 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
op 41483-alpha-cyclodextrin | [no description available] | medium | 1 | 0 | | |
benzamil | [no description available] | medium | 3 | 0 | guanidines; pyrazines | |
beta-escin | [no description available] | medium | 1 | 0 | | |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
beta-hederin | [no description available] | medium | 1 | 0 | triterpenoid | |
barium chloride | [no description available] | medium | 1 | 0 | barium salt; inorganic chloride | potassium channel blocker |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
cimaterol | [no description available] | medium | 2 | 0 | benzenes; nitrile | |
brombuterol | [no description available] | medium | 1 | 0 | | |
adenosine diphosphate | [no description available] | medium | 3 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 3 | 0 | | |
mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 3 | 0 | tripeptide | |
haloxon | [no description available] | medium | 1 | 0 | | |
cgp 20712a | [no description available] | medium | 4 | 0 | | |
ryanodine | [no description available] | medium | 1 | 0 | | |
egtazic acid | [no description available] | medium | 4 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
isoleucine | [no description available] | medium | 4 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
broxaterol | [no description available] | medium | 2 | 1 | | |
valine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
isoxazoles | [no description available] | medium | 2 | 1 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
vatalanib | [no description available] | medium | 1 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
acebutolol | [no description available] | medium | 3 | 1 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
glycine hydrazide | [no description available] | medium | 1 | 0 | | |
zd 7114 | [no description available] | medium | 1 | 0 | | |
brl 37344 | [no description available] | medium | 4 | 0 | monocarboxylic acid | |
st 91 | [no description available] | medium | 2 | 0 | substituted aniline | |
apaflurane | [no description available] | medium | 1 | 0 | | |
ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
tetramethylsilane | [no description available] | medium | 1 | 0 | organosilicon compound | NMR chemical shift reference compound |
asparagine | [no description available] | medium | 1 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
alanine | [no description available] | medium | 4 | 3 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 12 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
8-bromoadenosine-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
titanium dioxide | [no description available] | medium | 1 | 0 | titanium oxides | food colouring |
cyclic gmp | [no description available] | medium | 12 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
bradykinin | [no description available] | medium | 8 | 1 | oligopeptide | human blood serum metabolite; vasodilator agent |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
ips 339 | [no description available] | medium | 5 | 0 | | |
kwd 2131 | [no description available] | medium | 16 | 10 | | |
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 |
tretoquinol | [no description available] | medium | 11 | 1 | isoquinolines | |
tazolol | [no description available] | medium | 6 | 0 | | |
thiazoles | [no description available] | medium | 7 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
piperidines | [no description available] | medium | 11 | 3 | | |
cholecystokinin | [no description available] | medium | 5 | 0 | | |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 3 | 3 | aromatic ether; secondary amino compound | metabolite |
glycolipids | [no description available] | medium | 3 | 0 | | |
tetrodotoxin | [no description available] | medium | 3 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
d 2343 | [no description available] | medium | 7 | 3 | | |
octopamine | [no description available] | medium | 7 | 3 | phenylethanolamines; tyramines | neurotransmitter |
carbon monoxide | [no description available] | medium | 2 | 1 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
guanosine triphosphate | [no description available] | medium | 3 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
h 35-25 | [no description available] | medium | 3 | 0 | | |
xenon radioisotopes | [no description available] | medium | 4 | 1 | | |
picrotoxin | [no description available] | medium | 1 | 0 | | |
pregnenolone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
zinterol | [no description available] | medium | 1 | 0 | | |
fluorescein-5-isothiocyanate | [no description available] | medium | 3 | 0 | fluorescein isothiocyanate | |
erythrosine | [no description available] | medium | 4 | 0 | | |
pamatolol | [no description available] | medium | 1 | 0 | | |
hydroxyindoleacetic acid | [no description available] | medium | 2 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
methylatropine | [no description available] | medium | 2 | 1 | | |
thiourea | [no description available] | medium | 1 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
pyrilamine | [no description available] | medium | 4 | 1 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
metiamide | [no description available] | medium | 1 | 0 | imidazoles | |
dimaprit | [no description available] | medium | 1 | 0 | imidothiocarbamic ester | |
fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
adenosine monophosphate | [no description available] | medium | 8 | 5 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 4 | 0 | methoxybenzenes | |
glucagon | [no description available] | medium | 19 | 3 | peptide hormone | |
2-chloroadenosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
oxyphenonium | [no description available] | medium | 1 | 1 | acylcholine | |
thiophenes | [no description available] | medium | 2 | 1 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
amiphenazole | [no description available] | medium | 1 | 0 | thiazoles | |
5,10-methylenetetrahydrofolic acid | [no description available] | medium | 1 | 0 | benzamides; methylenetetrahydrofolic acid | |
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 |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
bufrolin | [no description available] | medium | 1 | 1 | | |
1,7-phenanthroline | [no description available] | medium | 1 | 1 | phenanthroline | |
technetium | [no description available] | medium | 11 | 3 | manganese group element atom | |
phosphorus | [no description available] | medium | 3 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
butyric acid | [no description available] | medium | 3 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
ibuterol | [no description available] | medium | 8 | 3 | | |
c-peptide | [no description available] | medium | 7 | 2 | | |
technetium tc 99m pentetate | [no description available] | medium | 3 | 1 | | |
etofylline | [no description available] | medium | 1 | 1 | oxopurine | |
cholinophyllin | [no description available] | medium | 1 | 1 | | |
hydrogen carbonate | [no description available] | medium | 7 | 2 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
taurine | [no description available] | medium | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 2 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
diatrizoate meglumine | [no description available] | medium | 1 | 0 | monocarboxylic acid anion | radioopaque medium |
nafamostat | [no description available] | medium | 1 | 0 | benzoic acids; guanidines | |
pyrroles | [no description available] | medium | 4 | 0 | pyrrole; secondary amine | |
substance p | [no description available] | medium | 6 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
cromakalim | [no description available] | medium | 3 | 0 | | |
xanthine | [no description available] | medium | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
brimonidine tartrate | [no description available] | medium | 4 | 0 | | |
quinoxalines | [no description available] | medium | 4 | 0 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
leukotriene c4 | [no description available] | medium | 1 | 0 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
leukotriene b4 | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
calcimycin | [no description available] | medium | 10 | 0 | benzoxazole | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
peptide yy | [no description available] | medium | 3 | 0 | | |
fibrinogen | [no description available] | medium | 1 | 1 | iditol | fungal metabolite |
fenamic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
maclurin | [no description available] | medium | 3 | 0 | benzophenones | |
ethylisopropylamiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
sodium metabisulfite | [no description available] | medium | 1 | 1 | inorganic sodium salt | food antioxidant |
sulfites | [no description available] | medium | 1 | 1 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
fluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
potassium iodide | [no description available] | medium | 2 | 0 | potassium salt | expectorant; radical scavenger |
2,3-diphosphoglycerate | [no description available] | medium | 1 | 1 | bisphosphoglyceric acid; tetronic acid derivative | human metabolite |
concanavalin a | [no description available] | medium | 4 | 0 | | |
3-hydroxybutyric acid | [no description available] | medium | 1 | 1 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
ornithine | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 4 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 1 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | [no description available] | medium | 3 | 0 | | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 2 | 0 | stilbenoid | |
capsazepine | [no description available] | medium | 1 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
8-((4-chlorophenyl)thio)cyclic-3',5'-amp | [no description available] | medium | 2 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound | protein kinase agonist |
calpain inhibitor 2 | [no description available] | medium | 1 | 0 | peptide | |
calpain | [no description available] | medium | 2 | 0 | | |
1-propanol | [no description available] | medium | 3 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
dimethindene | [no description available] | medium | 2 | 0 | indene | |
trimethylchlorosilane | [no description available] | medium | 1 | 0 | silyl chloride | chromatographic reagent |
n,n-bis(trimethylsilyl)-2,2,2-trifluoroacetamide | [no description available] | medium | 1 | 0 | | |
laurocapram | [no description available] | medium | 1 | 0 | | |
leptin | [no description available] | medium | 1 | 0 | | |
cyclopentane | [no description available] | medium | 1 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
mandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
phorbol 12,13-dibutyrate | [no description available] | medium | 2 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
gastrins | [no description available] | medium | 4 | 0 | | |
sdz mks 492 | [no description available] | medium | 1 | 0 | | |
ah 21-132 | [no description available] | medium | 1 | 0 | | |
guanosine 5'-o-(2-thiodiphosphate) | [no description available] | medium | 1 | 0 | nucleoside diphosphate analogue | |
guanosine diphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 2 | 0 | isoquinolines; sulfonamide | |
glucagon-like peptide 1 (7-36)amide | [no description available] | medium | 1 | 0 | | |
glucagon-like peptide 1 | [no description available] | medium | 1 | 0 | | |
oxyntomodulin | [no description available] | medium | 1 | 0 | | |
gentamicin | [no description available] | medium | 1 | 0 | | |
palmitoyl trifluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
d 609 | [no description available] | medium | 1 | 0 | | |
kn 62 | [no description available] | medium | 1 | 0 | piperazines | |
metallothionein | [no description available] | medium | 1 | 0 | | |
arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | medium | 1 | 0 | carbamate ester; organonitrogen compound | |
4-amylcinnamoylanthranilic acid | [no description available] | medium | 1 | 0 | amidobenzoic acid; cinnamamides; secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker |
tiletamine hydrochloride | [no description available] | medium | 1 | 0 | | |
technetium tc 99m medronate | [no description available] | medium | 1 | 0 | | |
technetium tc 99m hydroxymethylene diphosphonate | [no description available] | medium | 1 | 0 | | |
iodoacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
inosinic acid | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
ro 20683 | [no description available] | medium | 1 | 0 | | |
pd 98059 | [no description available] | medium | 1 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
kt 5720 | [no description available] | medium | 1 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
h 85 | [no description available] | medium | 1 | 0 | | |
cefotiam | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
cephalosporin c | [no description available] | medium | 1 | 0 | cephalosporin | fungal metabolite |
fura-2 | [no description available] | medium | 3 | 0 | | |
8-bromocyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
phlorhizin | [no description available] | medium | 2 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
y 27632 | [no description available] | medium | 1 | 0 | aromatic amide | |
nitroarginine | [no description available] | medium | 1 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
endothelin-1 | [no description available] | medium | 1 | 0 | | |
enkephalin, leucine | [no description available] | medium | 1 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
neuropeptide y | [no description available] | medium | 2 | 0 | | |
angiotensin iii | [no description available] | medium | 1 | 0 | | |
enkephalin, ser(2), leu(5), thr(6)- | [no description available] | medium | 1 | 0 | oligopeptide | |
2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl isothiocyanate | [no description available] | medium | 1 | 0 | | |
iberiotoxin | [no description available] | medium | 1 | 0 | | |
charybdotoxin | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 2 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
onapristone | [no description available] | medium | 1 | 0 | | |
amibegron | [no description available] | medium | 2 | 0 | monocarboxylic acid | |
nitrofen | [no description available] | medium | 1 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 2 | 0 | 1,2-diglyceride | |
4-nitro-2-(3-phenylpropylamino)benzoate | [no description available] | medium | 1 | 0 | | |
cyanopindolol | [no description available] | medium | 2 | 0 | indoles | |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
sodium pertechnetate tc 99m | [no description available] | medium | 1 | 1 | | |
sodium fluoride | [no description available] | medium | 2 | 0 | fluoride salt | mutagen |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental barium | |
dihydroergotoxine | [no description available] | medium | 1 | 0 | | |
cosyntropin | [no description available] | medium | 1 | 1 | | |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
chloralose | [no description available] | medium | 1 | 0 | | |
puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine; primary amino compound | toxin |
heme | [no description available] | medium | 1 | 0 | | |
nitroblue tetrazolium | [no description available] | medium | 1 | 0 | organic cation | |
piperoxan | [no description available] | medium | 1 | 0 | | |
lypressin | [no description available] | medium | 1 | 0 | cyclic peptide | |
pituitrin | [no description available] | medium | 3 | 0 | | |
tropolone | [no description available] | medium | 1 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
adenosine diphosphate ribose | [no description available] | medium | 1 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
sym-trinitrobenzene | [no description available] | medium | 1 | 0 | trinitrobenzene | explosive |
quinazolines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
4-hydroxypropranolol | [no description available] | medium | 2 | 0 | naphthols | |
bwa 4c | [no description available] | medium | 1 | 0 | | |
spermine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
nafronyl | [no description available] | medium | 1 | 0 | naphthalenes | |
prostaglandin d2 | [no description available] | medium | 3 | 0 | prostaglandins D | human metabolite; mouse metabolite |
thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxanes B | human metabolite; mouse metabolite |
monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
8-phenyltheophylline | [no description available] | medium | 2 | 0 | | |
inositol 1,4,5-trisphosphate | [no description available] | medium | 1 | 0 | myo-inositol trisphosphate | mouse metabolite |
adp beta s | [no description available] | medium | 1 | 0 | | |
afdx 116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
4-diphenylacetoxy-1,1-dimethylpiperidinium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | cholinergic antagonist; muscarinic antagonist |
toluene 2,4-diisocyanate | [no description available] | medium | 1 | 0 | toluene meta-diisocyanate | allergen; hapten |
atrial natriuretic factor | [no description available] | medium | 1 | 0 | polypeptide | |
transferrin | [no description available] | medium | 3 | 0 | | |
vasoactive intestinal peptide | [no description available] | medium | 7 | 0 | | |
aminoimidazole carboxamide | [no description available] | medium | 1 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
ip 66 | [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 |
nordefrin | [no description available] | medium | 2 | 0 | catecholamine | |
cumene hydroperoxide | [no description available] | medium | 1 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
thiocholine | [no description available] | medium | 1 | 0 | | |
nitroaniline | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
androsterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
cystine | [no description available] | medium | 1 | 0 | | |
n-monoacetylcystine | [no description available] | medium | 1 | 0 | | |
chlorobutanol | [no description available] | medium | 1 | 1 | tertiary alcohol | |
1-deaza-2-chloro-n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
n(6)-cyclopentyladenosine | [no description available] | medium | 1 | 0 | | |
1,2-dioctanoylglycerol | [no description available] | medium | 1 | 0 | | |
sphingosine | [no description available] | medium | 1 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
phosphoadenosine phosphosulfate | [no description available] | medium | 2 | 0 | acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate | Escherichia coli metabolite; mouse metabolite |
pyrrolidonecarboxylic acid | [no description available] | medium | 1 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
physalaemin | [no description available] | medium | 1 | 0 | | |
substance p (5-11), pglu(5)-mephe(8)-megly(9)- | [no description available] | medium | 1 | 0 | | |
gramicidin a | [no description available] | medium | 1 | 0 | | |
triphenylmethylphosphonium | [no description available] | medium | 1 | 0 | | |
pancreastatin | [no description available] | medium | 1 | 0 | | |
levoleucovorin | [no description available] | medium | 1 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
phosphoramidon | [no description available] | medium | 1 | 0 | deoxyaldohexose phosphate; dipeptide | bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
ammonium chloride | [no description available] | medium | 1 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
methyl carbamate | [no description available] | medium | 1 | 0 | carbamate ester | |
cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
tert-butylhydroperoxide | [no description available] | medium | 1 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
phosgene | [no description available] | medium | 1 | 0 | acyl chloride | |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
enkephalin, methionine | [no description available] | medium | 1 | 0 | | |
beta-endorphin | [no description available] | medium | 1 | 0 | | |
dynorphins | [no description available] | medium | 1 | 0 | | |
chiniofon | [no description available] | medium | 2 | 0 | | |
oxyquinoline | [no description available] | medium | 2 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
indium oxine | [no description available] | medium | 2 | 0 | | |
quin2 | [no description available] | medium | 2 | 0 | | |
nigericin | [no description available] | medium | 1 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein | [no description available] | medium | 1 | 0 | | |
carprazidil | [no description available] | medium | 1 | 0 | | |
tetragastrin | [no description available] | medium | 1 | 0 | peptidyl amide; tetrapeptide | anxiogenic; human metabolite |
fepradinol | [no description available] | medium | 1 | 0 | aralkylamine | |
indium | [no description available] | medium | 1 | 0 | boron group element atom | |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
carbuterol | [no description available] | medium | 1 | 0 | ureas | |
iodoacetamide | [no description available] | medium | 1 | 0 | | |
kemptide | [no description available] | medium | 1 | 0 | | |
4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
dehydroepiandrosterone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
w 7 | [no description available] | medium | 1 | 0 | | |
peptide phi | [no description available] | medium | 1 | 0 | | |
benzofurans | [no description available] | medium | 1 | 0 | | |
fura-2-am | [no description available] | medium | 1 | 0 | | |
metaraminol | [no description available] | high | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
iodine | [no description available] | medium | 1 | 0 | diatomic iodine | nutrient |
4-nitroaniline | [no description available] | medium | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
carboprost | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | abortifacient; oxytocic |
iodine | [no description available] | medium | 1 | 1 | halide anion; monoatomic iodine | human metabolite |
propane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | food propellant |
pentolinium tartrate | [no description available] | medium | 1 | 0 | tartrate salt | antihypertensive agent |
nitrous oxide | [no description available] | medium | 1 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
levobunolol | [no description available] | medium | 1 | 0 | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
dibenzylchlorethamine | [no description available] | medium | 1 | 0 | | |
pteridines | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
methanol | [no description available] | medium | 1 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
iodinated glycerol | [no description available] | medium | 1 | 0 | dioxolane | |
vendex | [no description available] | medium | 2 | 2 | organotin acaricide | |
cetylpyridinium chloride anhydrous | [no description available] | medium | 1 | 1 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
exudates | [no description available] | medium | 1 | 1 | | |
apnea | [no description available] | medium | 3 | 0 | purine nucleoside | |
fomesafen | [no description available] | medium | 4 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
phenylephrine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
eye | [no description available] | medium | 3 | 1 | | |
isomethyleugenol | [no description available] | medium | 2 | 0 | isomethyleugenol | |
apraclonidine | [no description available] | low | 0 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
bambuterol hydrochloride | [no description available] | medium | 0 | 0 | carbamate ester; hydrochloride; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent |
arbutamine | [no description available] | low | 0 | 0 | catecholamine | beta-adrenergic agonist; cardiotonic drug |
dobutamine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
arformoterol | [no description available] | low | 0 | 0 | N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent |
fenoterol | [no description available] | low | 0 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
nab-365 | [no description available] | low | 0 | 0 | hydrochloride | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
mirabegron | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic amide; ethanolamines; monocarboxylic acid amide | beta-adrenergic agonist |
solabegron | [no description available] | low | 0 | 0 | carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline | beta-adrenergic agonist |
olodaterol | [no description available] | low | 0 | 0 | aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
acephate | [no description available] | low | 0 | 0 | mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
bendiocarb | [no description available] | low | 0 | 0 | benzodioxoles; carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
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 |
diazinon | [no description available] | low | 0 | 0 | organic thiophosphate; pyrimidines | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; nematicide; xenobiotic |
dichlorvos | [no description available] | low | 0 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide | anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
dimethoate | [no description available] | low | 0 | 0 | monocarboxylic acid amide; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
disulfoton | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
ethion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
ethoprophos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; antinematodal drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
fenthion | [no description available] | low | 0 | 0 | organic thiophosphate | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
methomyl | [no description available] | low | 0 | 0 | aliphatic sulfide; carbamate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; nematicide; xenobiotic |
methyl parathion | [no description available] | low | 0 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; genotoxin |
naled | [no description available] | low | 0 | 0 | dialkyl phosphate; organobromine compound; organochlorine compound; organophosphate insecticide | acaricide; agrochemical; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
phorate | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
phosalone | [no description available] | low | 0 | 0 | 1,3-benzoxazoles; carbamate ester; organochlorine insecticide; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
propoxur | [no description available] | low | 0 | 0 | aromatic ether; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
temefos | [no description available] | low | 0 | 0 | organic sulfide; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; ectoparasiticide |
famophos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
fensulfothion | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide; sulfoxide | agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
pyridafenthion | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide; pyridazinone | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
paraoxon | [no description available] | low | 0 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
chlorfenvinphos | [no description available] | low | 0 | 0 | dichlorobenzene; organic phosphate; organochlorine acaricide; organochlorine insecticide; organophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
liriodenine | [no description available] | low | 0 | 0 | alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid | antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
imperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
thiometon | [no description available] | low | 0 | 0 | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
phosmet | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide; phthalimides | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
demeton-s-methyl | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
fonofos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
methidathion | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
dimethoxon | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
metolcarb | [no description available] | low | 0 | 0 | carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
aminocarb | [no description available] | low | 0 | 0 | carbamate ester; toluenes | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; molluscicide |
methiocarb | [no description available] | low | 0 | 0 | aryl sulfide; carbamate ester; methyl sulfide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; molluscicide; xenobiotic |
phenylphosphonothioic acid, 2-ethyl 2-(4-nitrophenyl) ester | [no description available] | low | 0 | 0 | organic phosphonate; organothiophosphate insecticide; phosphonic ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
mecarbam | [no description available] | low | 0 | 0 | carbamate ester; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
phenthoate, (+-)-isomer | [no description available] | low | 0 | 0 | ethyl ester; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
isoprocarb | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
cyanophos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
azinphos ethyl | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
sulfotepp | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
bpmc | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; herbicide; insecticide |
chlorpyrifos-methyl | [no description available] | low | 0 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
hypochlorous acid | [no description available] | low | 0 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
terbufos | [no description available] | low | 0 | 0 | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
quinalphos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
edifenphos | [no description available] | low | 0 | 0 | organic thiophosphate | antifungal agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin; phospholipid biosynthesis inhibitor |
fenamiphos | [no description available] | low | 0 | 0 | organophosphate insecticide; organophosphate nematicide; phosphoramidate ester | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
formetanate | [no description available] | low | 0 | 0 | carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
fenitrothion | [no description available] | low | 0 | 0 | C-nitro compound; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
pirimicarb | [no description available] | low | 0 | 0 | aminopyrimidine; carbamate ester; tertiary amino compound | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
triazophos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
isofenphos | [no description available] | low | 0 | 0 | isopropyl ester; organic phosphonate; organothiophosphate insecticide; phosphonic ester; salicylates | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
pirimiphos methyl | [no description available] | low | 0 | 0 | aminopyrimidine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide |
croneton | [no description available] | low | 0 | 0 | carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
prothiophos | [no description available] | low | 0 | 0 | dichlorobenzene; organic thiophosphate; organosulfur compound | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
sulprofos | [no description available] | low | 0 | 0 | organic thiophosphate; organosulfur compound; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
profenofos | [no description available] | low | 0 | 0 | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
vx | [no description available] | low | 0 | 0 | organic thiophosphate; tertiary amino compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin |
dibutylaminosulfenylcarbofuran | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
deltanit | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
benfuracarb | [no description available] | low | 0 | 0 | 1-benzofurans; carbamate ester; ethyl ester | agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
heptenophos | [no description available] | low | 0 | 0 | organochlorine compound; organophosphate insecticide; trialkyl phosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
isoimperatorin | [no description available] | low | 0 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
azamethiphos | [no description available] | low | 0 | 0 | organic thiophosphate; organochlorine acaricide; organochlorine insecticide; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
loganin | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; enoate ester; iridoid monoterpenoid; methyl ester; monosaccharide derivative; secondary alcohol | anti-inflammatory agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.4.23.46 (memapsin 2) inhibitor; neuroprotective agent; plant metabolite |
bay 93820 | [no description available] | low | 0 | 0 | isopropyl ester; organic phosphonate; organothiophosphate insecticide; phosphonic ester; salicylates | agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
cadusafos | [no description available] | low | 0 | 0 | organic thiophosphate; organothiophosphate insecticide | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
fosthiazate | [no description available] | low | 0 | 0 | organic phosphonate; organothiophosphate insecticide; phosphonic ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide |
pyraclofos | [no description available] | low | 0 | 0 | monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organosulfur compound; organothiophosphate insecticide; pyrazoles | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
ar-turmerone | [no description available] | low | 0 | 0 | enone; sesquiterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
corynoline | [no description available] | low | 0 | 0 | benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol | antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite |
decursinol | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol | analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
huperzine a | [no description available] | low | 0 | 0 | organic heterotricyclic compound; primary amino compound; pyridone; sesquiterpene alkaloid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent; nootropic agent; plant metabolite |
cyclanoline | [no description available] | low | 0 | 0 | berberine alkaloid; quaternary ammonium ion | EC 3.1.1.7 (acetylcholinesterase) inhibitor; plant metabolite |
geissospermine | [no description available] | low | 0 | 0 | indole alkaloid; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
bellidifolin | [no description available] | low | 0 | 0 | polyphenol; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; metabolite |
demethylbellidifolin | [no description available] | low | 0 | 0 | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
norswertianolin | [no description available] | low | 0 | 0 | beta-D-glucoside; xanthones | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
tetrachlorvinphos | [no description available] | low | 0 | 0 | alkenyl phosphate; dialkyl phosphate; organochlorine insecticide; organophosphate insecticide; trichlorobenzene | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
erucyl amide | [no description available] | low | 0 | 0 | 13-docosenamide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite |
dicrotophos | [no description available] | low | 0 | 0 | dialkyl phosphate; organophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
monocrotophos | [no description available] | low | 0 | 0 | alkenyl phosphate; dialkyl phosphate; monocarboxylic acid amide; organophosphate insecticide | acaricide; agrochemical; avicide; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor |
propetamphos | [no description available] | low | 0 | 0 | isopropyl ester; organophosphate insecticide; phosphoramidate ester | agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
bis(7)-tacrine | [no description available] | low | 0 | 0 | secondary amino compound | apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent |
arisugacin | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol | antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite |
11-hydroxysugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; cyclic terpene ketone; meroterpenoid | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
xyloketal a | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound; xyloketal | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
lycojapodine a | [no description available] | low | 0 | 0 | alkaloid; bridged compound; cyclic ketone; lactone; organic heterotetracyclic compound | anti-HIV-1 agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
ly 171883 | [no description available] | low | 0 | 0 | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
zardaverine | [no description available] | low | 0 | 0 | organofluorine compound; pyridazinone | anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug |
acetosyringone | [no description available] | low | 0 | 0 | acetophenones; dimethoxybenzene; phenols | anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
azelastine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
skullcapflavone ii | [no description available] | low | 0 | 0 | dihydroxyflavone; tetramethoxyflavone | anti-asthmatic drug; plant metabolite |
rp 73401 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide | anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor |
cinalukast | [no description available] | low | 0 | 0 | 1,3-thiazoles; carboxylic acid | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
fluticasone furoate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester | anti-allergic agent; anti-asthmatic drug; prodrug |
methylprednisolone suleptanate | [no description available] | low | 0 | 0 | organic sodium salt | anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug |
theobromine | [no description available] | low | 0 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
diphemanil methylsulfate | [no description available] | low | 0 | 0 | piperidines; quaternary ammonium salt | bronchodilator agent; muscarinic antagonist; parasympatholytic |
s-nitrosoglutathione | [no description available] | low | 0 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
dipivefrin | [no description available] | low | 0 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
oxymetazoline | [no description available] | low | 0 | 0 | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
phenmetrazine | [no description available] | low | 0 | 0 | morpholines | metabolite; sympathomimetic agent |
tetrahydrozoline | [no description available] | low | 0 | 0 | carboxamidine; imidazolines | nasal decongestant; sympathomimetic agent |
tetrahydrozoline hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
midodrine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
st 1059 | [no description available] | low | 0 | 0 | aromatic ether; primary amino compound; secondary alcohol | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
oxymetazoline hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
dipivefrin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | adrenergic agonist; antiglaucoma drug; sympathomimetic agent |
amezinium | [no description available] | low | 0 | 0 | aromatic ether; primary arylamine; pyridazinium ion | adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent |
acebutolol hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
syringaldehyde | [no description available] | low | 0 | 0 | dimethoxybenzene; hydroxybenzaldehyde | hypoglycemic agent; plant metabolite |
metformin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | environmental contaminant; hypoglycemic agent; xenobiotic |
5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite |
1-deoxynojirimycin | [no description available] | low | 0 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
octyl gallate | [no description available] | low | 0 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
norvaline | [no description available] | low | 0 | 0 | 2-aminopentanoic acid; L-alpha-amino acid zwitterion | bacterial metabolite; hypoglycemic agent; neuroprotective agent |
guanidinopropionic acid | [no description available] | low | 0 | 0 | guanidines; zwitterion | hypoglycemic agent |
masoprocol | [no description available] | low | 0 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
pinoresinol | [no description available] | low | 0 | 0 | pinoresinol | hypoglycemic agent; phytoestrogen; plant metabolite |
prunin protein, prunus | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative | antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite |
cafestol | [no description available] | low | 0 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
medica 16 | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; G-protein-coupled receptor agonist; hypoglycemic agent |
swertisin | [no description available] | low | 0 | 0 | dihydroxyflavone; flavone C-glycoside; monomethoxyflavone; monosaccharide derivative; polyphenol | adenosine A1 receptor antagonist; anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
marsupsin | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; polyphenol | antilipemic drug; hypoglycemic agent; metabolite |
salvigenin | [no description available] | low | 0 | 0 | monohydroxyflavone; trimethoxyflavone | antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite |
stevioside | [no description available] | low | 0 | 0 | beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent |
theasinensin a | [no description available] | low | 0 | 0 | biflavonoid; gallate ester; proanthocyanidin | anti-inflammatory agent; anticoronaviral agent; apoptosis inducer; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; melanin synthesis inhibitor; plant metabolite |
rhapontin | [no description available] | low | 0 | 0 | rhaponticin | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite |
cinnamaldehyde | [no description available] | low | 0 | 0 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
butylidenephthalide | [no description available] | low | 0 | 0 | 2-benzofurans; gamma-lactone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; hypoglycemic agent; metabolite |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 0 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
fraxetin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent |
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 |
mangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
swerchirin | [no description available] | low | 0 | 0 | aromatic ether; phenols; xanthones | hypoglycemic agent; metabolite |
myricetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
pterostilbene | [no description available] | low | 0 | 0 | diether; methoxybenzenes; stilbenol | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger |
lespenefril | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite |
salvianolic acid B | [no description available] | low | 0 | 0 | 1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol | anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite |
ginsenoside rb2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antiviral agent; hypoglycemic agent; plant metabolite |
capsiate | [no description available] | low | 0 | 0 | carboxylic ester; monomethoxybenzene; phenols | angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite |
dapagliflozin | [no description available] | low | 0 | 0 | aromatic ether; C-glycosyl compound; monochlorobenzenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
linagliptin | [no description available] | low | 0 | 0 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
aspalathin | [no description available] | low | 0 | 0 | C-glycosyl compound; catechols; dihydrochalcones; polyketide; polyphenol | antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; hypoglycemic agent; plant metabolite |
alogliptin | [no description available] | low | 0 | 0 | nitrile; piperidines; primary amino compound; pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
empagliflozin | [no description available] | low | 0 | 0 | aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
ginsenoside rc | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | hypoglycemic agent; plant metabolite |
azd 7545 | [no description available] | low | 0 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
canagliflozin | [no description available] | low | 0 | 0 | C-glycosyl compound; organofluorine compound; thiophenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
chir 98014 | [no description available] | low | 0 | 0 | aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator |
chromium tripicolinate | [no description available] | low | 0 | 0 | chromium coordination entity | anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical |
semaglutide | [no description available] | low | 0 | 0 | lipopeptide; polypeptide | anti-obesity agent; appetite depressant; glucagon-like peptide-1 receptor agonist; hypoglycemic agent; neuroprotective agent |
saroglitazar | [no description available] | low | 0 | 0 | aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles | hypoglycemic agent; PPARalpha agonist; PPARgamma agonist |
9-PAHSA | [no description available] | low | 0 | 0 | FAHFA; long-chain fatty acid | anti-inflammatory agent; human metabolite; hypoglycemic agent |
as 1842856 | [no description available] | low | 0 | 0 | organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound | anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent |
ambrein | [no description available] | low | 0 | 0 | tertiary alcohol; triterpenoid | hypoglycemic agent; mammalian metabolite |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant metabolite |
2-hydroxyphenethylamine | [no description available] | low | 0 | 0 | phenylethanolamines | human metabolite |
resveratrol | [no description available] | low | 0 | 0 | polyphenol; resorcinols; stilbenol | antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin |
resacetophenone | [no description available] | low | 0 | 0 | dihydroxyacetophenone; resorcinols | plant metabolite |
alpha-resorcylic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | metabolite |
olivetol | [no description available] | low | 0 | 0 | resorcinols | lichen metabolite |
pyoluteorin | [no description available] | low | 0 | 0 | aromatic ketone; beta-hydroxy ketone; diol; organochlorine compound; organochlorine pesticide; polyketide; pyrroles; resorcinols | antibacterial agent; antifungal agent; apoptosis inducer; bacterial metabolite; marine metabolite |
orsellinic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | fungal metabolite; marine metabolite; metabolite |
5-methoxyresorcinol | [no description available] | low | 0 | 0 | monomethoxybenzene; resorcinols | Brassica napus metabolite |
Zearalanone | [no description available] | low | 0 | 0 | macrolide; resorcinols | |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | [no description available] | low | 0 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone | [no description available] | low | 0 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
2,4,6-triiodoresorcinol | [no description available] | low | 0 | 0 | resorcinols | |
cannabidiolic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; phytocannabinoid; polyketide; resorcinols | |
stemphol | [no description available] | low | 0 | 0 | resorcinols | |
4-n-butylresorcinol | [no description available] | low | 0 | 0 | resorcinols | |
dihydropinosylvin | [no description available] | low | 0 | 0 | diphenylethane; resorcinols | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
3,5-dihydroxyphenylglycine | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | |
gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; plant metabolite |
licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans; aromatic ether; resorcinols | antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
vedelianin | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; plant metabolite |
cct018159 | [no description available] | low | 0 | 0 | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
olivetolic acid | [no description available] | low | 0 | 0 | benzoic acids; monocarboxylic acid; polyketide; resorcinols | metabolite |
ver-49009 | [no description available] | low | 0 | 0 | aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols | Hsp90 inhibitor |
zearalenone | [no description available] | low | 0 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
kuwanon g | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | anti-inflammatory agent; plant metabolite |
kuwanon h | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | plant metabolite |
cannabigerol | [no description available] | low | 0 | 0 | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether; coumarins; resorcinols | antispasmodic drug; plant metabolite |
isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols | antioxidant; plant metabolite |
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside; resorcinols; stilbenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; cyclooxygenase 2 inhibitor; platelet aggregation inhibitor |
noreugenin | [no description available] | low | 0 | 0 | chromones; resorcinols | plant metabolite |
ascofuranone | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone | angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite |
cannabigerolic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; diterpenoid; phytocannabinoid; polyketide; resorcinols | |
LL-Z1640-1 | [no description available] | low | 0 | 0 | macrolide; resorcinols | metabolite |
2',4'-dihydroxy-6'-methoxy-3',5'-dimethylchalcone | [no description available] | low | 0 | 0 | chalcones; monomethoxybenzene; resorcinols | EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; plant metabolite |
ascochlorin | [no description available] | low | 0 | 0 | cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid | angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite |
at 13387 | [no description available] | low | 0 | 0 | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one | [no description available] | low | 0 | 0 | alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound | anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite |
4-methyl-5-pentylbenzene-1,3-diol | [no description available] | low | 0 | 0 | resorcinols | antineoplastic agent |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
violaceol II | [no description available] | low | 0 | 0 | aromatic ether; catechols; resorcinols | mycotoxin |
schweinfurthin f | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | metabolite |
3,5-dimethylorsellinic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid; resorcinols | Aspergillus metabolite |
brartemicin | [no description available] | low | 0 | 0 | benzoate ester; glycosyl glycoside derivative; resorcinols | antimicrobial agent; metabolite |
ver 52296 | [no description available] | low | 0 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |