Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
acitretin | [no description available] | high | 211 | 31 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
acitretin | [no description available] | high | 211 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
methyl retinoate | [no description available] | medium | 13 | 0 | | |
geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
genipin | [no description available] | medium | 1 | 0 | iridoid monoterpenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor |
geniposidic acid | [no description available] | medium | 1 | 0 | terpene glycoside | |
isotretinoin | [no description available] | high | 1,005 | 90 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
isotretinoin | [no description available] | high | 1,005 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
tamibarotene | [no description available] | medium | 55 | 0 | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
tamibarotene | [no description available] | medium | 55 | 4 | dicarboxylic acid monoamide; retinoid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
3,5-di-tert-butylchalcone 4'-carboxylic acid | [no description available] | medium | 9 | 0 | | |
am 555s | [no description available] | medium | 3 | 0 | | |
re 80 | [no description available] | medium | 4 | 0 | | |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | medium | 99 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid | [no description available] | medium | 99 | 1 | benzoic acids; naphthalenes; retinoid | antineoplastic agent; retinoic acid receptor agonist; teratogenic agent |
4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid | [no description available] | medium | 4 | 0 | | |
6-(1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-naphthyl)-2-naphthalenecarboxylic acid | [no description available] | medium | 6 | 0 | | |
am 580 | [no description available] | medium | 58 | 0 | amidobenzoic acid; tetralins | antineoplastic agent; retinoic acid receptor alpha/beta agonist |
colforsin | [no description available] | medium | 95 | 0 | 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 |
1,9-dideoxyforskolin | [no description available] | medium | 1 | 0 | acetate ester; labdane diterpenoid; organic heterotricyclic compound | plant metabolite |
ginsenoside re | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite |
ginsenoside rg1 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | neuroprotective agent; pro-angiogenic agent |
retinol | [no description available] | high | 1,706 | 74 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
retinol | [no description available] | high | 1,706 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
retinaldehyde | [no description available] | high | 238 | 4 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
retinaldehyde | [no description available] | high | 238 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
retinol acetate | [no description available] | medium | 98 | 0 | acetate ester | |
etretinate | [no description available] | high | 407 | 51 | enoate ester; ethyl ester; retinoid | keratolytic drug |
etretinate | [no description available] | high | 407 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
motretinide | [no description available] | medium | 20 | 7 | retinoid | |
ginsenoside rb2 | [no description available] | medium | 2 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antiviral agent; hypoglycemic agent; plant metabolite |
ginsenoside rb1 | [no description available] | medium | 3 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
ginsenoside rd | [no description available] | medium | 1 | 0 | beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-inflammatory drug; apoptosis inducer; immunosuppressive agent; neuroprotective agent; plant metabolite; vulnerary |
ginsenoside ro | [no description available] | medium | 1 | 0 | triterpenoid saponin | metabolite |
ginsenoside rc | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | hypoglycemic agent; plant metabolite |
ginsenoside rb3 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antidepressant; antioxidant; cardioprotective agent; neuroprotective agent; NMDA receptor antagonist; plant metabolite |
ginsenoside rg2 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | anticoagulant; cardioprotective agent; plant metabolite |
alitretinoin | [no description available] | high | 754 | 40 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
alitretinoin | [no description available] | high | 754 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
vitamin a acid ethylamide | [no description available] | medium | 16 | 0 | | |
fenretinide | [no description available] | high | 215 | 13 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
fenretinide | [no description available] | high | 215 | 0 | monocarboxylic acid amide; retinoid | antineoplastic agent; antioxidant |
n-(2-hydroxyethyl)retinamide | [no description available] | medium | 14 | 0 | | |
tocoretinate | [no description available] | medium | 16 | 0 | tocol | |
ro 13-6298 | [no description available] | medium | 20 | 0 | | |
ro 13-6298 | [no description available] | medium | 20 | 2 | | |
thiouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
agn 193109 | [no description available] | medium | 18 | 0 | | |
agn 191659 | [no description available] | medium | 1 | 0 | | |
agn 191701 | [no description available] | medium | 1 | 0 | | |
bexarotene | [no description available] | high | 49 | 2 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
bexarotene | [no description available] | high | 49 | 0 | benzoic acids; naphthalenes; retinoid | antineoplastic agent |
sr 11237 | [no description available] | medium | 13 | 0 | | |
sr 11217 | [no description available] | medium | 7 | 0 | | |
4-oxoretinoic acid | [no description available] | medium | 75 | 0 | enone; retinoid | human xenobiotic metabolite |
4-oxoretinoic acid | [no description available] | medium | 75 | 2 | enone; retinoid | human xenobiotic metabolite |
le 135 | [no description available] | medium | 12 | 0 | dibenzodiazepine | |
ro 41-5253 | [no description available] | medium | 40 | 0 | aromatic ether; benzoic acids; sulfone; thiochromane | apoptosis inducer; retinoic acid receptor alpha antagonist |
lg 100268 | [no description available] | medium | 26 | 0 | | |
adapalene | [no description available] | medium | 87 | 0 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
adapalene | [no description available] | medium | 87 | 33 | adamantanes; monocarboxylic acid; naphthoic acid | dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug |
cd 437 | [no description available] | medium | 26 | 0 | adamantanes; monocarboxylic acid; naphthoic acid; phenols | apoptosis inducer; retinoic acid receptor gamma agonist |
cd 2019 | [no description available] | medium | 5 | 0 | | |
lg 100567 | [no description available] | medium | 3 | 0 | | |
dimethyl sulfoxide | [no description available] | medium | 344 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
dimethyl sulfoxide | [no description available] | medium | 344 | 2 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
cytarabine | [no description available] | high | 357 | 88 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
cytarabine | [no description available] | high | 357 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
vidarabine | [no description available] | high | 16 | 3 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
vidarabine | [no description available] | high | 16 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
hx 600 | [no description available] | medium | 3 | 0 | | |
hx 630 | [no description available] | medium | 2 | 0 | | |
benzo(a)pyrene | [no description available] | medium | 31 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
erythromycin | [no description available] | medium | 61 | 0 | cyclic ketone; erythromycin | |
erythromycin | [no description available] | medium | 61 | 8 | cyclic ketone; erythromycin | |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
benzoic acid | [no description available] | medium | 3 | 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 |
benzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
butyric acid | [no description available] | medium | 111 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
salicylic acid | [no description available] | high | 48 | 9 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
salicylic acid | [no description available] | high | 48 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
salicylic acid | [no description available] | high | 48 | 8 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
gallic acid | [no description available] | high | 3 | 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 |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
4-aminophenol | [no description available] | medium | 6 | 0 | aminophenol | allergen; metabolite |
hydroquinone | [no description available] | medium | 114 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
hydroquinone | [no description available] | medium | 114 | 46 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
methanol | [no description available] | high | 9 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline; tertiary amine | |
4-nitrophenol | [no description available] | medium | 2 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
phenol | [no description available] | medium | 3 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
pyrogallol | [no description available] | medium | 2 | 0 | benzenetriol; phenolic donor | plant metabolite |
tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite |
vanillin | [no description available] | medium | 2 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
catechin | [no description available] | medium | 2 | 0 | hydroxyflavan | |
menthol | [no description available] | medium | 4 | 0 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
2-aminofluorene | [no description available] | medium | 1 | 0 | | |
homovanillic acid | [no description available] | medium | 3 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
6-hydroxymelatonin | [no description available] | medium | 2 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
oxyquinoline | [no description available] | medium | 2 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
acetaminophen | [no description available] | medium | 15 | 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 |
amitriptyline | [no description available] | medium | 7 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
aspirin | [no description available] | medium | 23 | 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 |
beta-naphthoflavone | [no description available] | medium | 3 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
bumetanide | [no description available] | medium | 11 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
carbamazepine | [no description available] | medium | 18 | 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 |
chlorpheniramine | [no description available] | medium | 7 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpromazine | [no description available] | medium | 14 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
ciprofibrate | [no description available] | medium | 9 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clofibrate | [no description available] | medium | 19 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
clofibric acid | [no description available] | high | 8 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 3 | 0 | sulfonamide | |
4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
cyproheptadine | [no description available] | medium | 3 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
danthron | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | apoptosis inducer; plant metabolite |
dapsone | [no description available] | medium | 13 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
decanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
desipramine | [no description available] | medium | 10 | 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 |
diflunisal | [no description available] | medium | 9 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
diphenhydramine | [no description available] | medium | 5 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
valproic acid | [no description available] | medium | 99 | 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 |
valproic acid | [no description available] | medium | 99 | 13 | 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 |
doxepin | [no description available] | medium | 6 | 0 | dibenzooxepine; tertiary amino compound | antidepressant |
doxylamine | [no description available] | medium | 5 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
emodin | [no description available] | high | 6 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase 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 |
fenoprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
berotek | [no description available] | medium | 3 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
fluphenazine | [no description available] | medium | 4 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluorescite | [no description available] | medium | 4 | 0 | benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye | fluorescent dye; radioopaque medium |
furosemide | [no description available] | medium | 15 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
ibuprofen | [no description available] | medium | 16 | 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 |
imipramine | [no description available] | medium | 6 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
indomethacin | [no description available] | medium | 61 | 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 |
ketoprofen | [no description available] | medium | 10 | 0 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
ketotifen | [no description available] | medium | 5 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
labetalol | [no description available] | medium | 9 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
lamotrigine | [no description available] | medium | 9 | 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 |
lauric acid | [no description available] | medium | 3 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
lorazepam | [no description available] | medium | 3 | 0 | benzodiazepine | |
losartan | [no description available] | medium | 9 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
loxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
meperidine | [no description available] | medium | 5 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
mesalamine | [no description available] | medium | 7 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mexiletine | [no description available] | medium | 5 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mitoxantrone | [no description available] | high | 56 | 15 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
mitoxantrone | [no description available] | high | 56 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
nortriptyline | [no description available] | medium | 6 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
oxazepam | [no description available] | medium | 4 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
oxyphenbutazone | [no description available] | medium | 3 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
aminosalicylic acid | [no description available] | medium | 7 | 0 | aminobenzoic acid; phenols | antitubercular agent |
pheniramine | [no description available] | medium | 1 | 0 | pyridines; tertiary amino compound | |
phenobarbital | [no description available] | medium | 25 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenolphthalein | [no description available] | medium | 4 | 0 | phenols | |
phenolsulfonphthalein | [no description available] | medium | 2 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
phenylbutazone | [no description available] | medium | 9 | 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 |
probenecid | [no description available] | medium | 10 | 0 | benzoic acids; sulfonamide | uricosuric drug |
promethazine | [no description available] | medium | 5 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propofol | [no description available] | medium | 7 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propranolol | [no description available] | medium | 16 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propyl gallate | [no description available] | medium | 4 | 0 | trihydroxybenzoic acid | |
pyrilamine | [no description available] | medium | 3 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
salicylamide | [no description available] | medium | 4 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sulfadimethoxine | [no description available] | medium | 4 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; 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 |
sulfinpyrazone | [no description available] | medium | 6 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
suprofen | [no description available] | medium | 3 | 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 |
temazepam | [no description available] | medium | 5 | 0 | benzodiazepine | |
terfenadine | [no description available] | medium | 11 | 0 | diarylmethane | |
thonzylamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
tiaprofenic acid | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | drug allergen; non-steroidal anti-inflammatory drug |
trifluoperazine | [no description available] | medium | 12 | 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 |
triflupromazine | [no description available] | medium | 3 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
zomepirac | [no description available] | medium | 5 | 0 | aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles | cardiovascular drug; non-steroidal anti-inflammatory drug |
corticosterone | [no description available] | high | 17 | 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 |
estriol | [no description available] | high | 8 | 1 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
estriol | [no description available] | high | 8 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
thyroxine | [no description available] | high | 35 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
aldosterone | [no description available] | high | 13 | 0 | 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 |
tetrahydrocortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
prednisone | [no description available] | high | 41 | 4 | 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] | high | 41 | 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 |
tetrahydrocortisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
estrone | [no description available] | high | 16 | 1 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
estrone | [no description available] | high | 16 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
androsterone | [no description available] | high | 5 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
dehydroepiandrosterone | [no description available] | high | 22 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
hydroxyacetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | |
triiodothyronine | [no description available] | high | 208 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
benz(a)anthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | |
chloramphenicol | [no description available] | medium | 9 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
chloramphenicol | [no description available] | medium | 9 | 1 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
ethinyl estradiol | [no description available] | medium | 16 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
ethinyl estradiol | [no description available] | medium | 16 | 1 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
desoxycorticosterone | [no description available] | high | 5 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
norethindrone | [no description available] | medium | 6 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethynodrel | [no description available] | medium | 3 | 0 | oxo steroid | |
17-alpha-hydroxyprogesterone | [no description available] | high | 5 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
ampicillin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
alizarin | [no description available] | medium | 5 | 0 | dihydroxyanthraquinone | chromophore; dye; plant metabolite |
linalool | [no description available] | medium | 1 | 0 | monoterpenoid; tertiary alcohol | antimicrobial agent; fragrance; plant metabolite; volatile oil component |
1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
cyclizine | [no description available] | medium | 3 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen; plant metabolite |
9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
1-naphthol | [no description available] | medium | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
2-aminodiphenyl | [no description available] | medium | 1 | 0 | | |
2-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | antifungal agrochemical; environmental food contaminant |
quinoline | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
2-naphthylamine | [no description available] | medium | 3 | 0 | naphthylamine | carcinogenic agent |
4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
benzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | carcinogenic agent |
4,4'-dihydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
propylparaben | [no description available] | medium | 2 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
methylparaben | [no description available] | medium | 2 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
4-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | flavouring agent |
4-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
4-benzylphenol | [no description available] | medium | 1 | 0 | | |
2-ethylhexanol | [no description available] | medium | 1 | 0 | primary alcohol | plant metabolite; volatile oil component |
2,2,2-trichloroethanol | [no description available] | medium | 1 | 0 | chloroethanol | mouse metabolite |
anthrarufin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
2-toluic acid | [no description available] | medium | 1 | 0 | methylbenzoic acid | xenobiotic metabolite |
ethyl-p-hydroxybenzoate | [no description available] | medium | 1 | 0 | ethyl ester; paraben | antifungal agent; antimicrobial food preservative; phytoestrogen; plant metabolite |
3-tert-butyl-4-hydroxyanisole | [no description available] | medium | 1 | 0 | aromatic ether; phenols | antioxidant; human xenobiotic metabolite |
1-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | human xenobiotic metabolite |
2-naphthol | [no description available] | medium | 6 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
shikimic acid | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
citronellol | [no description available] | medium | 1 | 0 | monoterpenoid | plant metabolite |
hexanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
pregnenolone | [no description available] | high | 4 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
ditiocarb | [no description available] | medium | 4 | 0 | dithiocarbamic acids | chelator; copper chelator |
mequinol | [no description available] | medium | 15 | 0 | methoxybenzenes; phenols | metabolite |
mequinol | [no description available] | medium | 15 | 5 | methoxybenzenes; phenols | metabolite |
catechin | [no description available] | high | 22 | 0 | catechin | antioxidant; plant metabolite |
phenetidine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound; substituted aniline | drug metabolite |
4-hydroxyphenobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
lithocholic acid | [no description available] | high | 10 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
chenodeoxycholic acid | [no description available] | high | 17 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
epitestosterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; human metabolite |
chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
carvacrol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
dihydrotestosterone | [no description available] | high | 28 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
1,2,3,4-tetrahydro-1-naphthalenol | [no description available] | medium | 1 | 0 | | |
4-iodophenol | [no description available] | medium | 1 | 0 | iodophenol | |
myristic acid | [no description available] | high | 3 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 1 | 0 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
3-hydroxyflavone | [no description available] | medium | 2 | 0 | flavonols; monohydroxyflavone | |
6-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | |
3-hydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
diphenylamine | [no description available] | high | 3 | 0 | aromatic amine; bridged diphenyl fungicide; secondary amino compound | antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger |
alpha-naphthoflavone | [no description available] | medium | 8 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor |
4-propylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
hexafluoroisopropanol | [no description available] | medium | 1 | 0 | organofluorine compound; secondary alcohol | drug metabolite |
d-alpha tocopherol | [no description available] | high | 106 | 6 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
d-alpha tocopherol | [no description available] | high | 106 | 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 |
fenchol | [no description available] | medium | 1 | 0 | | |
4-n-Butylphenol | [no description available] | medium | 1 | 0 | phenols | |
4-hydroxyazobenzene | [no description available] | medium | 1 | 0 | | |
4-nitrothiophenolate | [no description available] | medium | 1 | 0 | | |
5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 3 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite |
menthol | [no description available] | medium | 1 | 0 | p-menthan-3-ol | antipruritic drug; antispasmodic drug; antitussive |
hydroxyphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione; phenols | metabolite |
mono-(2-ethylhexyl)phthalate | [no description available] | medium | 3 | 0 | phthalic acid monoester | |
1-naphthalenemethanol | [no description available] | medium | 1 | 0 | naphthylmethanol | mouse metabolite |
dexpropranolol | [no description available] | medium | 1 | 0 | propranolol | |
butylated hydroxyanisole | [no description available] | medium | 1 | 0 | | |
3-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
4-n-Pentylphenol | [no description available] | medium | 1 | 0 | phenols | |
9-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
daunorubicin | [no description available] | high | 161 | 45 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
daunorubicin | [no description available] | high | 161 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
n-phenylethanolamine | [no description available] | medium | 1 | 0 | aralkylamine | |
4-ethylphenol | [no description available] | medium | 1 | 0 | phenols | fungal xenobiotic metabolite |
ursodeoxycholic acid | [no description available] | high | 12 | 1 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
ursodeoxycholic acid | [no description available] | high | 12 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
pregnanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
butylated hydroxytoluene | [no description available] | medium | 4 | 0 | phenols | antioxidant; ferroptosis inhibitor; food additive; geroprotector |
zidovudine | [no description available] | medium | 15 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
6-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
dexibuprofen | [no description available] | medium | 2 | 0 | ibuprofen | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
benoxaprofen | [no description available] | medium | 7 | 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 |
2-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant; hypoglycemic agent; plant metabolite |
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 3 | 0 | stilbenoid | |
2',7'-dichlorofluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans | fluorochrome |
16-hydroxytestosterone | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid; diol; secondary alcohol | androgen |
2-methoxyestradiol | [no description available] | high | 9 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
5,6,7,8-tetrahydro-1-naphthol | [no description available] | medium | 1 | 0 | tetralins | |
alfatradiol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 3-hydroxy steroid; estradiol | estrogen; geroprotector |
4-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolone | |
17-alpha-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
5-(3-hydroxyphenyl)-5-phenylhydantoin | [no description available] | medium | 1 | 0 | | |
7-amino-4-methylcoumarin | [no description available] | medium | 1 | 0 | 7-aminocoumarins | fluorochrome |
11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 2 | 0 | 11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid | |
brexanolone | [no description available] | medium | 3 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
3,5-diiodothyronine, (l)-isomer | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
harmol hydrochloride | [no description available] | medium | 2 | 0 | | |
diosgenin | [no description available] | high | 3 | 0 | 3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal | antineoplastic agent; antiviral agent; apoptosis inducer; metabolite |
sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | medium | 1 | 0 | sapogenin | gout suppressant; plant metabolite |
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone | human urinary metabolite |
2-methoxyestriol | [no description available] | medium | 1 | 0 | | |
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | hydroxylamine; imidazopyridine | carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite |
ecopipam | [no description available] | medium | 1 | 0 | benzazepine | |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
11-hydroxytestosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid; C19-steroid | bacterial xenobiotic metabolite; human xenobiotic metabolite; marine metabolite |
norbuprenorphine | [no description available] | medium | 1 | 0 | phenanthrenes | |
benzo(a)pyrene-3,6-quinol | [no description available] | medium | 1 | 0 | | |
naproxen | [no description available] | medium | 12 | 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 |
cortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
carbocysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
cholic acid | [no description available] | high | 5 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
5 alpha-androstane-3 beta,17 beta-diol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol | Daphnia magna metabolite; human metabolite |
cortol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
21-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone | mouse metabolite |
2-hydroxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
epietiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
naringenin | [no description available] | medium | 3 | 0 | (2S)-flavan-4-one; naringenin | expectorant; plant metabolite |
2-hydroxyestrone | [no description available] | medium | 1 | 0 | 2-hydroxy steroid; catechols | human metabolite |
epiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human metabolite |
naringin | [no description available] | medium | 3 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
1-alpha-terpineol | [no description available] | medium | 1 | 0 | alpha-terpineol | plant metabolite |
diprenorphine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
ergosterol | [no description available] | medium | 3 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
ferulic acid | [no description available] | medium | 5 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
mycophenolic acid | [no description available] | high | 14 | 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 |
diethylstilbestrol | [no description available] | high | 13 | 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 |
geraniol | [no description available] | medium | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol | allergen; fragrance; plant metabolite; volatile oil component |
dienestrol | [no description available] | medium | 2 | 0 | | |
captax | [no description available] | medium | 1 | 0 | aryl thiol; benzothiazoles | carcinogenic agent; metabolite |
thiothixene | [no description available] | medium | 7 | 0 | N-methylpiperazine | anticoronaviral agent |
chlorogenic acid | [no description available] | medium | 5 | 0 | cinnamate ester; tannin | food component; plant metabolite |
sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
digitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | |
quercetin | [no description available] | high | 16 | 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 |
bilirubin | [no description available] | high | 9 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
apigenin | [no description available] | high | 6 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
scopoletin | [no description available] | medium | 2 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
hymecromone | [no description available] | medium | 2 | 0 | hydroxycoumarin | antineoplastic agent; hyaluronic acid synthesis inhibitor |
vitamin d 2 | [no description available] | medium | 11 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
cholecalciferol | [no description available] | high | 177 | 2 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
cholecalciferol | [no description available] | high | 177 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
esculetin | [no description available] | medium | 2 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe; food component; plant metabolite |
baicalein | [no description available] | medium | 4 | 0 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
baicalein | [no description available] | medium | 4 | 1 | trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger |
chrysin | [no description available] | medium | 3 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
fisetin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
galangin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
4-hydroxyestradiol | [no description available] | medium | 2 | 0 | 4-hydroxy steroid | metabolite |
hyodeoxycholic acid | [no description available] | medium | 2 | 0 | 5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid | human metabolite; mouse metabolite |
codeine | [no description available] | medium | 5 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
hydromorphone | [no description available] | medium | 4 | 0 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
nalmefene | [no description available] | medium | 6 | 0 | morphinane alkaloid | |
nalorphine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
naloxone | [no description available] | medium | 11 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
oxycodone | [no description available] | medium | 2 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxymorphone | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 2 | 0 | 6alpha-hydroxy steroid | |
morphine | [no description available] | medium | 16 | 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 | 6 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
levorphanol | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
naltrexone | [no description available] | medium | 10 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naltrindole benzofuran | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
naltrindole | [no description available] | medium | 1 | 0 | isoquinolines | |
19-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholestanoid | |
borneol | [no description available] | medium | 1 | 0 | borneol | |
norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4-hydroxyestrone | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-hydroxy steroid; 4-hydroxy steroid; catechols; phenolic steroid | carcinogenic agent; estrogen; human urinary metabolite |
11 beta-hydroxyandrosterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
2-hydroxyestriol | [no description available] | medium | 1 | 0 | | |
novobiocin | [no description available] | medium | 5 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
tetracycline | [no description available] | medium | 57 | 0 | | |
tetracycline | [no description available] | medium | 57 | 4 | | |
4-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
rifampin | [no description available] | high | 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 |
clozapine | [no description available] | medium | 19 | 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 |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
coumarin | [no description available] | medium | 5 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
phenytoin | [no description available] | medium | 16 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
tacrine | [no description available] | medium | 8 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
acebutolol | [no description available] | medium | 4 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
albuterol | [no description available] | medium | 10 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
alprazolam | [no description available] | medium | 3 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
alprenolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
amantadine | [no description available] | medium | 5 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
theophylline | [no description available] | high | 40 | 1 | 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 | 40 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
amiodarone | [no description available] | medium | 12 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
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 | |
atenolol | [no description available] | medium | 10 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
bepridil | [no description available] | medium | 5 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
betaxolol | [no description available] | medium | 4 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bevantolol | [no description available] | medium | 1 | 0 | propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; calcium channel blocker |
bisoprolol | [no description available] | medium | 4 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
brotizolam | [no description available] | medium | 2 | 0 | organic molecular entity | |
caffeine | [no description available] | medium | 22 | 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 |
verapamil | [no description available] | medium | 19 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
carteolol | [no description available] | medium | 3 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carvedilol | [no description available] | medium | 7 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
chlorambucil | [no description available] | high | 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 | 5 | 0 | benzodiazepine | |
chloroquine | [no description available] | medium | 14 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorothiazide | [no description available] | medium | 4 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chlorpropamide | [no description available] | medium | 10 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
chlorthalidone | [no description available] | medium | 4 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
cifenline | [no description available] | medium | 2 | 0 | diarylmethane | |
cimetidine | [no description available] | medium | 20 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cisapride | [no description available] | medium | 6 | 0 | benzamides | |
citalopram | [no description available] | medium | 6 | 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 | 8 | 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 | 2 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
clonidine | [no description available] | medium | 5 | 0 | clonidine; imidazoline | |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
diazepam | [no description available] | medium | 10 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazoxide | [no description available] | medium | 7 | 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 | 13 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
disopyramide | [no description available] | medium | 6 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
domperidone | [no description available] | medium | 5 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
doxazosin | [no description available] | medium | 3 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
ethosuximide | [no description available] | medium | 7 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
etilefrine | [no description available] | medium | 1 | 0 | phenols | |
etodolac | [no description available] | medium | 6 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
felodipine | [no description available] | medium | 10 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenfluramine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
flecainide | [no description available] | medium | 5 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
fluconazole | [no description available] | medium | 18 | 0 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
flucytosine | [no description available] | medium | 8 | 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 | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
fluorouracil | [no description available] | high | 87 | 9 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluorouracil | [no description available] | high | 87 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
fluoxetine | [no description available] | medium | 11 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
flurbiprofen | [no description available] | medium | 11 | 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 | 12 | 0 | aromatic ether | antilipemic drug |
glipizide | [no description available] | medium | 8 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 10 | 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 | 15 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hexobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
hydralazine | [no description available] | medium | 6 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
hydrochlorothiazide | [no description available] | medium | 11 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
lidocaine | [no description available] | medium | 10 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
amrinone | [no description available] | medium | 9 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
isoniazid | [no description available] | medium | 13 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isoproterenol | [no description available] | medium | 21 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isradipine | [no description available] | medium | 5 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
ketamine | [no description available] | medium | 6 | 0 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketamine | [no description available] | medium | 6 | 1 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
ketorolac | [no description available] | medium | 3 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
lansoprazole | [no description available] | medium | 9 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
lofepramine | [no description available] | medium | 3 | 0 | aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound | antidepressant |
mabuterol | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
maprotiline | [no description available] | medium | 7 | 0 | anthracenes | |
mebendazole | [no description available] | medium | 8 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
metaproterenol | [no description available] | medium | 3 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
methadone | [no description available] | medium | 4 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
methadone | [no description available] | medium | 4 | 1 | benzenes; diarylmethane; ketone; tertiary amino compound | |
metoclopramide | [no description available] | medium | 5 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metoprolol | [no description available] | medium | 6 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metronidazole | [no description available] | medium | 13 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
mianserin | [no description available] | medium | 5 | 0 | dibenzoazepine | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist |
midazolam | [no description available] | medium | 5 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
milrinone | [no description available] | medium | 4 | 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 | 5 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
moclobemide | [no description available] | medium | 3 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
nabumetone | [no description available] | medium | 5 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nevirapine | [no description available] | medium | 9 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nicardipine | [no description available] | medium | 8 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | high | 21 | 0 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nilvadipine | [no description available] | medium | 2 | 0 | dihydropyridine; isopropyl ester; methyl ester; nitrile | |
nimodipine | [no description available] | medium | 13 | 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 | 10 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
nitrazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 8 | 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 | 4 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
omeprazole | [no description available] | medium | 11 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
omeprazole | [no description available] | medium | 11 | 1 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
ondansetron | [no description available] | medium | 5 | 0 | carbazoles | |
oxaprozin | [no description available] | medium | 9 | 0 | 1,3-oxazoles; monocarboxylic acid | analgesic; non-steroidal anti-inflammatory drug |
oxprenolol | [no description available] | medium | 3 | 0 | aromatic ether | |
pentoxifylline | [no description available] | medium | 11 | 0 | oxopurine | |
perphenazine | [no description available] | medium | 9 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
pindolol | [no description available] | medium | 9 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
pirenzepine | [no description available] | medium | 3 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
prazosin | [no description available] | medium | 6 | 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 | 8 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
primidone | [no description available] | medium | 9 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
probucol | [no description available] | high | 8 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
procainamide | [no description available] | medium | 5 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
prochlorperazine | [no description available] | medium | 8 | 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 | 3 | 0 | pyrrolidines; tertiary alcohol | antidyskinesia agent; antiparkinson drug; muscarinic antagonist |
propafenone | [no description available] | medium | 6 | 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 | 6 | 0 | 1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
ranitidine | [no description available] | medium | 8 | 0 | aralkylamine | |
riluzole | [no description available] | medium | 11 | 0 | benzothiazoles | |
risperidone | [no description available] | medium | 11 | 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 | 7 | 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 | 7 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
sulfisoxazole | [no description available] | medium | 3 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sulpiride | [no description available] | medium | 7 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
sumatriptan | [no description available] | medium | 6 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
terazosin | [no description available] | medium | 6 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terbutaline | [no description available] | medium | 5 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
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 | 5 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolbutamide | [no description available] | medium | 9 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
tolmetin | [no description available] | medium | 4 | 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 | 4 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trazodone | [no description available] | medium | 6 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
triamterene | [no description available] | medium | 5 | 0 | pteridines | diuretic; sodium channel blocker |
triazolam | [no description available] | medium | 3 | 0 | triazolobenzodiazepine | sedative |
trimethoprim | [no description available] | medium | 14 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
urapidil | [no description available] | medium | 3 | 0 | piperazines | |
venlafaxine | [no description available] | medium | 7 | 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] | high | 26 | 3 | 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] | high | 26 | 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 |
spironolactone | [no description available] | medium | 10 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
phenylephrine | [no description available] | medium | 4 | 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 | 2 | 0 | penicillin | antibacterial agent; antibacterial drug |
methylprednisolone | [no description available] | medium | 19 | 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 | 19 | 1 | 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 | 3 | 0 | penicillin allergen; penicillin | antibacterial drug |
betamethasone | [no description available] | medium | 22 | 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 | 22 | 4 | 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 | 3 | 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 | 3 | 0 | ethanolamines; ethylenediamine derivative | antitubercular agent; environmental contaminant; xenobiotic |
dronabinol | [no description available] | medium | 5 | 0 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
amiloride | [no description available] | medium | 9 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
pimozide | [no description available] | medium | 10 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
dicloxacillin | [no description available] | medium | 4 | 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 | 8 | 0 | selegiline; terminal acetylenic compound | geroprotector |
clemastine | [no description available] | medium | 3 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
du-21220 | [no description available] | medium | 2 | 0 | benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound | |
timolol | [no description available] | medium | 6 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
indoramin | [no description available] | medium | 3 | 0 | tryptamines | |
moricizine | [no description available] | medium | 3 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
medifoxamine | [no description available] | medium | 1 | 0 | aromatic ether | |
dobutamine | [no description available] | medium | 5 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
penbutolol | [no description available] | medium | 3 | 0 | ethanolamines | |
tocainide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
sq-11725 | [no description available] | medium | 7 | 0 | | |
diltiazem | [no description available] | medium | 7 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
meptazinol | [no description available] | medium | 1 | 0 | azepanes | |
prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
lorcainide | [no description available] | medium | 2 | 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 | 12 | 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 | 3 | 0 | benzamides; piperidines | anti-arrhythmia drug; sodium channel blocker |
lovastatin | [no description available] | high | 18 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
enoximone | [no description available] | medium | 4 | 0 | aromatic ketone | |
simvastatin | [no description available] | medium | 18 | 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 |
simvastatin | [no description available] | medium | 18 | 1 | 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 | 3 | 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 | 1 | 0 | aromatic compound | |
uk 68798 | [no description available] | medium | 5 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
bufuralol | [no description available] | medium | 2 | 0 | benzofurans | |
epanolol | [no description available] | medium | 2 | 0 | acetamides | |
methotrimeprazine | [no description available] | medium | 2 | 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 | 3 | 0 | hydroxy-1,2-naphthoquinone | |
nicotine | [no description available] | medium | 13 | 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 |
nicotine | [no description available] | medium | 13 | 1 | 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] | high | 102 | 15 | 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 |
methotrexate | [no description available] | high | 102 | 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 | 2 | 0 | morpholines | |
atropine | [no description available] | medium | 11 | 0 | | |
rimiterol | [no description available] | medium | 1 | 0 | catechols | |
quinidine | [no description available] | medium | 12 | 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 | 2 | 0 | organic molecular entity | |
mercaptopurine | [no description available] | high | 65 | 14 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
mercaptopurine | [no description available] | high | 65 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
terbinafine | [no description available] | medium | 4 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
raclopride | [no description available] | medium | 1 | 0 | salicylamides | |
quinine | [no description available] | medium | 10 | 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 |
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 | 7 | 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 | 8 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
famotidine | [no description available] | medium | 9 | 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 | 2 | 0 | nitrofuran antibiotic | |
scopolamine hydrobromide | [no description available] | medium | 3 | 0 | | |
mobiflex | [no description available] | medium | 4 | 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 |
warfarin | [no description available] | medium | 23 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
ajmaline | [no description available] | medium | 3 | 0 | | |
olanzapine | [no description available] | medium | 8 | 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 | 16 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
pivalyloxymethyl butyrate | [no description available] | medium | 1 | 0 | | |
bms 961 | [no description available] | medium | 1 | 0 | | |
cd 666 | [no description available] | medium | 3 | 0 | | |
agn 190121 | [no description available] | medium | 3 | 0 | | |
agn 193836 | [no description available] | medium | 3 | 0 | | |
ketoconazole | [no description available] | medium | 49 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoconazole | [no description available] | medium | 49 | 5 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
liarozole | [no description available] | medium | 40 | 0 | benzimidazoles | |
liarozole | [no description available] | medium | 40 | 4 | benzimidazoles | |
thalidomide | [no description available] | medium | 30 | 0 | phthalimides; piperidones | |
thalidomide | [no description available] | medium | 30 | 2 | phthalimides; piperidones | |
n-hydroxythalidomide | [no description available] | medium | 1 | 0 | | |
2-(2,6-diisopropylphenyl)-5-amino-1h-isoindole-1,3-dione | [no description available] | medium | 1 | 0 | | |
calcitriol | [no description available] | high | 446 | 8 | 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 |
calcitriol | [no description available] | high | 446 | 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 |
5-hydroxythalidomide | [no description available] | medium | 1 | 0 | phthalimides | |
pp-33 | [no description available] | medium | 1 | 0 | | |
2-(2,6-diisopropylphenyl)-5-hydroxy-1h-isoindole-1,3-dione | [no description available] | medium | 1 | 0 | | |
nrx 194204 | [no description available] | medium | 1 | 0 | | |
ac 55649 | [no description available] | medium | 5 | 0 | biphenyls; carboxybiphenyl | |
ac 261066 | [no description available] | medium | 3 | 0 | | |
methoxsalen | [no description available] | high | 15 | 2 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
methoxsalen | [no description available] | high | 15 | 0 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
glycyrrhizic acid | [no description available] | medium | 5 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
isopimpinellin | [no description available] | medium | 1 | 0 | psoralens | |
isobavachin | [no description available] | medium | 1 | 0 | flavanones | |
xanthoangelol | [no description available] | medium | 1 | 0 | | |
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | [no description available] | medium | 2 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
isobavachalcone | [no description available] | medium | 1 | 0 | chalcones; polyphenol | antibacterial agent; metabolite; platelet aggregation inhibitor |
osthenol | [no description available] | medium | 1 | 0 | hydroxycoumarin | antifungal agent; plant metabolite |
sophoraflavanone a | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone | antibacterial agent; antineoplastic agent; metabolite |
bupropion | [no description available] | medium | 4 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
aminocaproic acid | [no description available] | medium | 6 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
acetohydroxamic acid | [no description available] | medium | 3 | 0 | acetohydroxamic acids; carbohydroximic acid | algal metabolite; EC 3.5.1.5 (urease) inhibitor |
alendronate | [no description available] | medium | 4 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
altretamine | [no description available] | medium | 5 | 0 | triamino-1,3,5-triazine | |
amifostine anhydrous | [no description available] | high | 5 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
aminoglutethimide | [no description available] | high | 8 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amlexanox | [no description available] | medium | 2 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
amoxapine | [no description available] | medium | 9 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
anastrozole | [no description available] | medium | 4 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
apraclonidine | [no description available] | medium | 1 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
astemizole | [no description available] | medium | 6 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
azathioprine | [no description available] | high | 16 | 1 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azathioprine | [no description available] | high | 16 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
azelaic acid | [no description available] | medium | 28 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelaic acid | [no description available] | medium | 28 | 2 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelastine | [no description available] | medium | 1 | 0 | monochlorobenzenes; phthalazines; tertiary amino compound | anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor |
baclofen | [no description available] | medium | 5 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
bicalutamide | [no description available] | medium | 9 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol | |
brimonidine | [no description available] | medium | 4 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
buspirone | [no description available] | medium | 7 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
busulfan | [no description available] | high | 14 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
butenafine | [no description available] | medium | 1 | 0 | naphthalenes; tertiary amine | antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor |
carmustine | [no description available] | high | 9 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
cetirizine | [no description available] | medium | 5 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
chlormezanone | [no description available] | medium | 4 | 0 | 1,3-thiazine; lactam; monochlorobenzenes; sulfone | antipsychotic agent; anxiolytic drug; muscle relaxant |
ciclopirox | [no description available] | medium | 5 | 0 | cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone | antibacterial agent; antiseborrheic |
cinoxacin | [no description available] | medium | 5 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
ciprofloxacin | [no description available] | medium | 9 | 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 |
clofazimine | [no description available] | medium | 4 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
chlorazepate | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone | anticonvulsant; anxiolytic drug; GABA modulator; prodrug |
cyclobenzaprine | [no description available] | medium | 3 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
dipivefrin | [no description available] | medium | 1 | 0 | ethanolamines; pivalate ester | adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent |
disulfiram | [no description available] | high | 30 | 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 |
droperidol | [no description available] | medium | 7 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
econazole | [no description available] | medium | 4 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
enflurane | [no description available] | medium | 2 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
enoxacin | [no description available] | medium | 3 | 0 | 1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
estazolam | [no description available] | medium | 3 | 0 | triazoles; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA modulator |
etidronate | [no description available] | high | 6 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
brl 42810 | [no description available] | medium | 4 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
felbamate | [no description available] | medium | 9 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fentanyl | [no description available] | medium | 2 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fexofenadine | [no description available] | medium | 5 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
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 | |
flutamide | [no description available] | high | 13 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
foscarnet | [no description available] | medium | 4 | 0 | carboxylic acid; one-carbon compound; phosphonic acids | antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor |
gabapentin | [no description available] | medium | 6 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glimepiride | [no description available] | medium | 6 | 0 | sulfonamide | |
granisetron | [no description available] | medium | 2 | 0 | aromatic amide; indazoles | |
guanfacine | [no description available] | medium | 3 | 0 | acetamides | |
halothane | [no description available] | medium | 2 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
hydroxyurea | [no description available] | high | 36 | 4 | 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 |
hydroxyurea | [no description available] | high | 36 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
hydroxyzine | [no description available] | medium | 6 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
phenelzine | [no description available] | medium | 7 | 0 | primary amine | |
ifosfamide | [no description available] | medium | 6 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
indapamide | [no description available] | medium | 6 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
iodixanol | [no description available] | medium | 1 | 0 | organoiodine compound | radioopaque medium |
iohexol | [no description available] | medium | 3 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
iopromide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
ioversol | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
isoflurane | [no description available] | medium | 3 | 0 | organofluorine compound | inhalation anaesthetic |
isoflurane | [no description available] | medium | 3 | 1 | organofluorine compound | inhalation anaesthetic |
itraconazole | [no description available] | medium | 5 | 0 | piperazines | |
lomefloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
loratadine | [no description available] | medium | 6 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
meclofenamic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mefenamic acid | [no description available] | medium | 9 | 0 | aminobenzoic acid; secondary amino compound | analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
metformin | [no description available] | medium | 13 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metformin | [no description available] | medium | 13 | 1 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
midodrine | [no description available] | medium | 3 | 0 | amino acid amide; aromatic ether; secondary alcohol | alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent |
minoxidil | [no description available] | medium | 32 | 0 | dialkylarylamine; tertiary amino compound | |
minoxidil | [no description available] | medium | 32 | 3 | dialkylarylamine; tertiary amino compound | |
nefazodone | [no description available] | medium | 8 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nilutamide | [no description available] | medium | 5 | 0 | (trifluoromethyl)benzenes; C-nitro compound; imidazolidinone | androgen antagonist; antineoplastic agent |
masoprocol | [no description available] | medium | 6 | 0 | catechols; lignan; tetrol | antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite |
norfloxacin | [no description available] | medium | 6 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
ofloxacin | [no description available] | medium | 9 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
pamidronate | [no description available] | medium | 6 | 0 | phosphonoacetic acid | |
pemoline | [no description available] | medium | 6 | 0 | 1,3-oxazoles | central nervous system stimulant |
pentamidine | [no description available] | medium | 5 | 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 |
pirbuterol | [no description available] | medium | 1 | 0 | pyridines | |
prazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
praziquantel | [no description available] | medium | 10 | 0 | isoquinolines | |
procarbazine | [no description available] | high | 6 | 1 | benzamides; hydrazines | antineoplastic agent |
procarbazine | [no description available] | high | 6 | 0 | benzamides; hydrazines | antineoplastic agent |
sch 16134 | [no description available] | medium | 2 | 0 | benzodiazepine | |
rimantadine | [no description available] | medium | 2 | 0 | alkylamine | |
salmeterol xinafoate | [no description available] | medium | 2 | 0 | ether; phenols; primary alcohol; secondary alcohol; secondary amino compound | |
sevoflurane | [no description available] | medium | 2 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
sotalol | [no description available] | medium | 6 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sulconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
sulfasalazine | [no description available] | medium | 10 | 0 | | |
tazarotene | [no description available] | medium | 44 | 0 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
tazarotene | [no description available] | medium | 44 | 8 | acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane | keratolytic drug; prodrug; teratogenic agent |
thiotepa | [no description available] | medium | 8 | 0 | aziridines | |
thiotepa | [no description available] | medium | 8 | 2 | aziridines | |
ticlopidine | [no description available] | medium | 7 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
tioconazole | [no description available] | medium | 2 | 0 | dichlorobenzene; ether; imidazoles; thiophenes | |
tiopronin | [no description available] | medium | 3 | 0 | N-acyl-amino acid | |
trientine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | copper chelator |
trimethadione | [no description available] | medium | 5 | 0 | oxazolidinone | anticonvulsant; geroprotector |
trimetrexate | [no description available] | medium | 2 | 0 | | |
trimipramine | [no description available] | medium | 2 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
ici 204,219 | [no description available] | medium | 7 | 0 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
zolpidem | [no description available] | medium | 6 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
floxuridine | [no description available] | high | 7 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent |
penicillamine | [no description available] | medium | 7 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
pilocarpine | [no description available] | medium | 10 | 0 | pilocarpine | antiglaucoma drug |
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 |
testosterone propionate | [no description available] | medium | 3 | 0 | steroid ester | |
bretylium tosylate | [no description available] | medium | 4 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
trifluridine | [no description available] | high | 4 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
medroxyprogesterone acetate | [no description available] | high | 7 | 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 | 6 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
estradiol dipropionate | [no description available] | medium | 1 | 0 | steroid ester | |
methohexital | [no description available] | medium | 2 | 0 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
estradiol 17 beta-cypionate | [no description available] | medium | 1 | 0 | steroid ester | |
testosterone enanthate | [no description available] | medium | 2 | 0 | heptanoate ester; sterol ester | androgen |
podophyllotoxin | [no description available] | high | 8 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
levocarnitine | [no description available] | medium | 2 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
megestrol acetate | [no description available] | medium | 5 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
acetylcysteine | [no description available] | high | 40 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
levonorgestrel | [no description available] | medium | 5 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
estradiol valerate | [no description available] | medium | 3 | 0 | steroid ester | |
betamethasone valerate | [no description available] | medium | 11 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
betamethasone valerate | [no description available] | medium | 11 | 2 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester | anti-inflammatory drug |
methylprednisolone hemisuccinate | [no description available] | medium | 2 | 0 | corticosteroid hormone; hemisuccinate | |
stavudine | [no description available] | medium | 8 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
tranylcypromine | [no description available] | medium | 8 | 0 | 2-phenylcyclopropan-1-amine | |
tranylcypromine | [no description available] | medium | 8 | 2 | 2-phenylcyclopropan-1-amine | |
cladribine | [no description available] | high | 12 | 1 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
cladribine | [no description available] | high | 12 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
beclomethasone | [no description available] | medium | 6 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
estradiol enanthate | [no description available] | medium | 1 | 0 | steroid ester | |
betamethasone-17,21-dipropionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester | antipsoriatic |
olsalazine | [no description available] | medium | 2 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
levamisole | [no description available] | medium | 8 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator |
cephalexin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
isosorbide-5-mononitrate | [no description available] | medium | 2 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
danazol | [no description available] | medium | 18 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
danazol | [no description available] | medium | 18 | 2 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
cephapirin | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
bromocriptine | [no description available] | medium | 7 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
bromocriptine | [no description available] | medium | 7 | 1 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
cefazolin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
amoxicillin | [no description available] | medium | 9 | 0 | penicillin allergen; penicillin | antibacterial drug |
bitolterol | [no description available] | medium | 1 | 0 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
tobramycin | [no description available] | medium | 5 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
paclitaxel | [no description available] | high | 67 | 4 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
paclitaxel | [no description available] | high | 67 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | high | 87 | 15 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
etoposide | [no description available] | high | 87 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
ribavirin | [no description available] | medium | 19 | 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 |
ribavirin | [no description available] | medium | 19 | 1 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
guanadrel | [no description available] | medium | 1 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
methyldopa | [no description available] | medium | 9 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
levobunolol | [no description available] | medium | 1 | 0 | aromatic ether; cyclic ketone; propanolamine | antiglaucoma drug; beta-adrenergic antagonist |
vecuronium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
permethrin | [no description available] | medium | 7 | 0 | cyclopropanecarboxylate ester; cyclopropanes | agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide |
sufentanil | [no description available] | medium | 2 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
torsemide | [no description available] | medium | 4 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
cefmetazole | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
desflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
idarubicin | [no description available] | medium | 183 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
idarubicin | [no description available] | medium | 183 | 48 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
cefonicid | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
piperacillin | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug |
cefoperazone | [no description available] | medium | 4 | 0 | cephalosporin | antibacterial drug |
lodoxamide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
atracurium | [no description available] | medium | 2 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
butoconazole | [no description available] | medium | 1 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
naftifine | [no description available] | medium | 1 | 0 | allylamine antifungal drug; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor |
pergolide | [no description available] | medium | 3 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
cefadroxil anhydrous | [no description available] | medium | 6 | 0 | cephalosporin | antibacterial drug |
nedocromil | [no description available] | medium | 2 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
cefaclor anhydrous | [no description available] | medium | 6 | 0 | cephalosporin | antibacterial drug; drug allergen |
alfentanil | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
cefotetan | [no description available] | medium | 6 | 0 | | |
levocabastine | [no description available] | medium | 1 | 0 | piperidines | |
pravastatin | [no description available] | medium | 7 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
cabergoline | [no description available] | high | 9 | 0 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
quinapril | [no description available] | medium | 7 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
fosphenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | |
finasteride | [no description available] | medium | 11 | 0 | 3-oxo steroid; aza-steroid; delta-lactam | androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor |
esmolol | [no description available] | medium | 2 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
sparfloxacin | [no description available] | medium | 4 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | |
zileuton | [no description available] | medium | 9 | 0 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
cidofovir anhydrous | [no description available] | medium | 4 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
topotecan | [no description available] | high | 5 | 0 | pyranoindolizinoquinoline | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
gemcitabine | [no description available] | high | 13 | 2 | 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 |
gemcitabine | [no description available] | high | 13 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
ibutilide | [no description available] | medium | 2 | 0 | benzenes; organic amino compound | |
remifentanil | [no description available] | medium | 2 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
atorvastatin | [no description available] | medium | 12 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
lamivudine | [no description available] | medium | 7 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
irinotecan | [no description available] | high | 8 | 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 |
valsartan | [no description available] | medium | 8 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
adenosine | [no description available] | high | 25 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
cefprozil | [no description available] | medium | 3 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
methylprednisolone aceponate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
dexamethasone 17-valerate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dexamethasone dipropionate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
iopamidol | [no description available] | medium | 3 | 0 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
dexfenfluramine | [no description available] | medium | 2 | 0 | fenfluramine | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
sertraline | [no description available] | medium | 9 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
erythromycin propionate | [no description available] | medium | 1 | 0 | erythromycin derivative | |
dexrazoxane | [no description available] | high | 4 | 0 | razoxane | antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent |
antebate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
flunisolide | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
clarithromycin | [no description available] | medium | 8 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 2 | 0 | peptide | |
docetaxel | [no description available] | medium | 2 | 0 | hydrate; secondary alpha-hydroxy ketone | antineoplastic agent |
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 |
ropivacaine | [no description available] | medium | 2 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
estradiol 3-benzoate | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
estramustine | [no description available] | high | 4 | 0 | 17beta-hydroxy steroid; carbamate ester; organochlorine compound | alkylating agent; antineoplastic agent; radiation protective agent |
ritonavir | [no description available] | medium | 8 | 0 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
ritonavir | [no description available] | medium | 8 | 1 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
pentostatin | [no description available] | high | 6 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
meropenem | [no description available] | medium | 5 | 0 | alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide | antibacterial agent; antibacterial drug; drug allergen |
griseofulvin | [no description available] | medium | 9 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
cefoxitin | [no description available] | medium | 4 | 0 | beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative | antibacterial drug |
saquinavir | [no description available] | medium | 5 | 0 | L-asparagine derivative; quinolines | antiviral drug; HIV protease inhibitor |
netilmicin | [no description available] | medium | 2 | 0 | | |
metyrosine | [no description available] | medium | 4 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
rocuronium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent |
terconazole | [no description available] | medium | 1 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
erythromycin ethylsuccinate | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin derivative; ethyl ester; succinate ester | |
amcinonide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal | anti-inflammatory drug |
betamethasone acetate | [no description available] | medium | 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 | |
acarbose | [no description available] | medium | 2 | 0 | amino cyclitol; glycoside | |
mupirocin | [no description available] | medium | 4 | 0 | alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol | antibacterial drug; bacterial metabolite; protein synthesis inhibitor |
fosfomycin | [no description available] | medium | 3 | 0 | epoxide; phosphonic acids | antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
zithromax | [no description available] | medium | 8 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
teniposide | [no description available] | medium | 4 | 0 | aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
dactinomycin | [no description available] | medium | 130 | 0 | actinomycin | mutagen |
melphalan | [no description available] | high | 12 | 1 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
melphalan | [no description available] | high | 12 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
sch 22219 | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester | anti-inflammatory drug |
mezlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
cholinophyllin | [no description available] | medium | 1 | 0 | | |
fludarabine | [no description available] | medium | 12 | 0 | purine nucleoside | |
fludarabine | [no description available] | medium | 12 | 3 | purine nucleoside | |
propylthiouracil | [no description available] | high | 11 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
ipratropium bromide anhydrous | [no description available] | medium | 3 | 0 | | |
etomidate | [no description available] | medium | 5 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
benztropine | [no description available] | medium | 3 | 0 | diarylmethane | |
sulindac | [no description available] | high | 13 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
enclomiphene | [no description available] | medium | 2 | 0 | | |
thioguanine anhydrous | [no description available] | high | 28 | 4 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
thioguanine anhydrous | [no description available] | high | 28 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
succimer | [no description available] | medium | 3 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
streptozocin | [no description available] | medium | 5 | 0 | | |
tamoxifen | [no description available] | high | 90 | 6 | 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 |
tamoxifen | [no description available] | high | 90 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
ethionamide | [no description available] | medium | 5 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
dezocine | [no description available] | medium | 1 | 0 | phenols; primary amino compound | opioid analgesic |
dapiprazole | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-arylpiperazine; pyridines | alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug |
flosequinan | [no description available] | medium | 2 | 0 | quinolines | |
alprostadil | [no description available] | high | 26 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
amphotericin b | [no description available] | medium | 14 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
pulmicort | [no description available] | medium | 10 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; bronchodilator agent; drug allergen |
olopatadine | [no description available] | medium | 1 | 0 | | |
bw b1090u | [no description available] | medium | 1 | 0 | isoquinolines | |
7432 s | [no description available] | medium | 2 | 0 | cephalosporin; dicarboxylic acid | antibacterial drug |
misoprostol | [no description available] | medium | 2 | 0 | | |
epoprostenol | [no description available] | medium | 2 | 0 | prostaglandins I | mouse metabolite |
betamethasone benzoate | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiophenes | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
ly 163892 | [no description available] | medium | 4 | 0 | carbacephem; zwitterion | antibacterial drug; antimicrobial agent |
topiramate | [no description available] | medium | 6 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
calcipotriene | [no description available] | medium | 1 | 0 | cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol | antipsoriatic; drug allergen |
clobetasol | [no description available] | medium | 21 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
clobetasol | [no description available] | medium | 21 | 5 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
fluticasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
halobetasol | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
latanoprost | [no description available] | medium | 2 | 0 | isopropyl ester; prostaglandins Falpha; triol | antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug |
rimexolone | [no description available] | medium | 1 | 0 | 20-oxo steroid | |
vinorelbine | [no description available] | medium | 4 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid | antineoplastic agent; photosensitizing agent |
oxiconazole | [no description available] | medium | 2 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
butorphanol | [no description available] | medium | 4 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
cefixime | [no description available] | medium | 5 | 0 | cephalosporin | antibacterial drug; drug allergen |
lisinopril | [no description available] | medium | 8 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
benazepril | [no description available] | medium | 5 | 0 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ramipril | [no description available] | medium | 4 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
indinavir sulfate | [no description available] | medium | 7 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 4 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
cefuroxime | [no description available] | medium | 2 | 0 | 3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether | drug allergen |
ceftriaxone | [no description available] | medium | 5 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
cefepime | [no description available] | medium | 2 | 0 | cephalosporin; oxime O-ether | antibacterial drug |
ceftazidime | [no description available] | medium | 5 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
trandolapril | [no description available] | medium | 4 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
guanabenz | [no description available] | medium | 3 | 0 | dichlorobenzene | |
cefotaxime | [no description available] | medium | 3 | 0 | 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen |
aztreonam | [no description available] | medium | 6 | 0 | beta-lactam antibiotic allergen; monobactam | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
cci 15641 | [no description available] | medium | 2 | 0 | cephalosporin | |
cefpodoxime | [no description available] | medium | 2 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
dirithromycin | [no description available] | medium | 2 | 0 | macrolide antibiotic | prodrug |
cefpodoxime proxetil | [no description available] | medium | 2 | 0 | carboxylic acid; carboxylic ester; cephalosporin | antibacterial drug; prodrug |
ceftizoxime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug |
dantrolene | [no description available] | medium | 4 | 0 | | |
fosinopril | [no description available] | medium | 3 | 0 | | |
nystatin a1 | [no description available] | medium | 3 | 0 | nystatins | |
mesna | [no description available] | medium | 4 | 0 | organosulfonic acid | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug; prodrug |
minocycline | [no description available] | medium | 24 | 0 | | |
minocycline | [no description available] | medium | 24 | 2 | | |
piroxicam | [no description available] | medium | 12 | 0 | benzothiazine; monocarboxylic acid amide; pyridines | analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
meclocycline | [no description available] | medium | 2 | 0 | | |
acyclovir | [no description available] | medium | 15 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
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 | 16 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
valacyclovir | [no description available] | medium | 3 | 0 | L-valyl ester | antiviral drug |
penciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; propane-1,3-diols | antiviral drug |
rifabutin | [no description available] | medium | 6 | 0 | | |
ag-1296 | [no description available] | medium | 3 | 0 | quinoxaline derivative | |
celecoxib | [no description available] | medium | 15 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
celecoxib | [no description available] | medium | 15 | 1 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ciglitazone | [no description available] | medium | 20 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
clotrimazole | [no description available] | medium | 13 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
fenofibrate | [no description available] | medium | 16 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
go 6976 | [no description available] | medium | 4 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
beta-lapachone | [no description available] | medium | 6 | 0 | benzochromenone; orthoquinones | anti-inflammatory agent; antineoplastic agent; plant metabolite |
letrozole | [no description available] | high | 7 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 29 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
niclosamide | [no description available] | medium | 5 | 0 | benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide | anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor |
patulin | [no description available] | medium | 3 | 0 | furopyran; gamma-lactone; lactol | antimicrobial agent; Aspergillus metabolite; carcinogenic agent; mutagen; mycotoxin; Penicillium metabolite |
pd 153035 | [no description available] | medium | 2 | 0 | aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
pd 158780 | [no description available] | medium | 1 | 0 | aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pd 98059 | [no description available] | medium | 35 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
pioglitazone | [no description available] | medium | 19 | 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 |
quetiapine | [no description available] | medium | 2 | 0 | dibenzothiazepine; N-alkylpiperazine; N-arylpiperazine | adrenergic antagonist; dopaminergic antagonist; histamine antagonist; second generation antipsychotic; serotonergic antagonist |
rofecoxib | [no description available] | medium | 4 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
rolipram | [no description available] | medium | 4 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
imatinib | [no description available] | medium | 4 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
troglitazone | [no description available] | high | 37 | 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 |
zm 336372 | [no description available] | medium | 1 | 0 | benzamides | |
zonisamide | [no description available] | high | 4 | 0 | 1,2-benzoxazoles; sulfonamide | anticonvulsant; antioxidant; central nervous system drug; protective agent; T-type calcium channel blocker |
rotenone | [no description available] | high | 10 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
camptothecin | [no description available] | high | 22 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
aromasil | [no description available] | medium | 3 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic |
ziprasidone | [no description available] | medium | 2 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
mevastatin | [no description available] | medium | 8 | 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 |
rosiglitazone | [no description available] | medium | 47 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
fulvestrant | [no description available] | high | 9 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
tadalafil | [no description available] | medium | 3 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
valdecoxib | [no description available] | medium | 3 | 0 | isoxazoles; sulfonamide | antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
cyc 202 | [no description available] | medium | 10 | 0 | 2,6-diaminopurines | antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
angiotensin ii | [no description available] | high | 18 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
sb 203580 | [no description available] | medium | 15 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
wortmannin | [no description available] | high | 18 | 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 |
acetylleucyl-leucyl-norleucinal | [no description available] | medium | 4 | 0 | aldehyde; tripeptide | cysteine protease inhibitor |
trichostatin a | [no description available] | medium | 62 | 0 | antibiotic antifungal agent; hydroxamic acid; trichostatin | bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
cerivastatin | [no description available] | medium | 6 | 0 | dihydroxy monocarboxylic acid; pyridines; statin (synthetic) | |
rosuvastatin | [no description available] | medium | 3 | 0 | dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide | anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic |
y 27632 | [no description available] | medium | 4 | 0 | aromatic amide | |
epothilone a | [no description available] | high | 2 | 0 | epothilone; epoxide | antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator |
h 89 | [no description available] | medium | 10 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 16 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
cinnarizine | [no description available] | medium | 5 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
toremifene | [no description available] | medium | 3 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
sc 560 | [no description available] | medium | 4 | 0 | aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug |
genistein | [no description available] | high | 25 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
sirolimus | [no description available] | high | 46 | 2 | 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 |
sirolimus | [no description available] | high | 46 | 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 |
brefeldin a | [no description available] | medium | 11 | 0 | macrolide antibiotic | Penicillium metabolite |
geldanamycin | [no description available] | medium | 2 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound | antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor |
lysophosphatidic acid | [no description available] | medium | 2 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
bay 11-7082 | [no description available] | medium | 2 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
tanespimycin | [no description available] | medium | 3 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
gw 1929 | [no description available] | medium | 5 | 0 | benzophenones | |
2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole | [no description available] | medium | 1 | 0 | aryl sulfide | |
ci 940 | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; leptomycin | antifungal agent; bacterial metabolite |
pifithrin-alpha | [no description available] | medium | 1 | 0 | | |
sildenafil | [no description available] | medium | 5 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
vardenafil | [no description available] | medium | 2 | 0 | imidazotriazine; N-alkylpiperazine; N-sulfonylpiperazine | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
4-dodecylaminophenol | [no description available] | medium | 6 | 0 | | |
p-decylaminophenol | [no description available] | medium | 5 | 0 | | |
gamma-aminobutyric acid | [no description available] | high | 31 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
acetamide | [no description available] | medium | 2 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
quinacrine | [no description available] | medium | 8 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
catechol | [no description available] | medium | 3 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
taxifolin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; dihydroflavonols; pentahydroxyflavanone; secondary alpha-hydroxy ketone | |
phosphonoacetic acid | [no description available] | medium | 4 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
3,4-dihydroxyphenylacetic acid | [no description available] | high | 6 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
diacetyl | [no description available] | medium | 2 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
melatonin | [no description available] | high | 30 | 1 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
melatonin | [no description available] | high | 30 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
n-acetylserotonin | [no description available] | medium | 1 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
pyrazinamide | [no description available] | medium | 8 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
quinolinic acid | [no description available] | high | 2 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
taurine | [no description available] | high | 11 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
2-amino-5-phosphonovalerate | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
alpha-methyl-4-carboxyphenylglycine | [no description available] | medium | 1 | 0 | | |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
1-hydroxy-3-amino-2-pyrrolidone | [no description available] | medium | 1 | 0 | | |
ibotenic acid | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane | [no description available] | medium | 1 | 0 | | |
sk&f-38393 | [no description available] | medium | 2 | 0 | benzazepine; catechols; secondary amino compound | |
vanilmandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
1,10-diaminodecane | [no description available] | medium | 2 | 0 | | |
1,3-diethyl-8-phenylxanthine | [no description available] | medium | 1 | 0 | | |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 3 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
1,3-dipropyl-8-(4-sulfophenyl)xanthine | [no description available] | medium | 1 | 0 | | |
1,5-dihydroxyisoquinoline | [no description available] | medium | 2 | 0 | isoquinolinol | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
pk 11195 | [no description available] | medium | 3 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
1-(2-trifluoromethylphenyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
1-aminobenzotriazole | [no description available] | medium | 2 | 0 | | |
1-methylimidazole | [no description available] | medium | 1 | 0 | imidazoles | |
edelfosine | [no description available] | medium | 2 | 0 | glycerophosphocholine | |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 2 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
2,2'-dipyridyl | [no description available] | medium | 4 | 0 | bipyridine | chelator; ferroptosis inhibitor |
2-hydroxysaclofen | [no description available] | medium | 1 | 0 | organochlorine compound | |
3,4-dichloroisocoumarin | [no description available] | medium | 2 | 0 | isocoumarins; organochlorine compound | geroprotector; serine protease inhibitor |
phaclofen | [no description available] | medium | 1 | 0 | organophosphate oxoanion; zwitterion | |
3-aminobenzamide | [no description available] | medium | 7 | 0 | benzamides; substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
3-bromo-7-nitroindazole | [no description available] | medium | 1 | 0 | | |
enprofylline | [no description available] | medium | 2 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
3-nitropropionic acid | [no description available] | medium | 2 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
4-amino-1,8-naphthalimide | [no description available] | medium | 2 | 0 | benzoisoquinoline; dicarboximide | |
4-aminopyridine | [no description available] | medium | 5 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
4-hydroxybenzoic acid hydrazide | [no description available] | medium | 1 | 0 | carbohydrazide; phenols | |
4-phenyl-3-furoxancarbonitrile | [no description available] | medium | 2 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
5,5-dimethyl-1-pyrroline-1-oxide | [no description available] | medium | 1 | 0 | 1-pyrroline nitrones | neuroprotective agent; spin trapping reagent |
5,7-dichlorokynurenic acid | [no description available] | medium | 1 | 0 | quinolines | |
5-(n,n-hexamethylene)amiloride | [no description available] | medium | 2 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
ethylisopropylamiloride | [no description available] | medium | 2 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
5-fluoroindole-2-carboxylic acid | [no description available] | medium | 3 | 0 | indolyl carboxylic acid | |
hydroxyindoleacetic acid | [no description available] | high | 2 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
phenanthridone | [no description available] | medium | 2 | 0 | lactam; phenanthridines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; immunosuppressive agent; mutagen |
6-chloromelatonin | [no description available] | medium | 1 | 0 | acetamides | |
6-methoxytryptoline | [no description available] | medium | 1 | 0 | | |
6-nitroso-1,2-benzopyrone | [no description available] | medium | 2 | 0 | | |
7-chlorokynurenic acid | [no description available] | medium | 1 | 0 | organochlorine compound; quinolinemonocarboxylic acid | neuroprotective agent; NMDA receptor antagonist |
7-nitroindazole | [no description available] | medium | 2 | 0 | | |
8-(4-sulfophenyl)theophylline | [no description available] | medium | 2 | 0 | | |
8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
8-phenyltheophylline | [no description available] | medium | 1 | 0 | | |
acetazolamide | [no description available] | medium | 13 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetazolamide | [no description available] | medium | 13 | 1 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
acetohexamide | [no description available] | medium | 4 | 0 | acetophenones; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
ag 127 | [no description available] | medium | 3 | 0 | nitrophenol | |
rtki cpd | [no description available] | medium | 2 | 0 | aromatic ether; monochlorobenzenes; quinazolines | antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector |
tyrphostin a23 | [no description available] | medium | 2 | 0 | catechols | |
tyrphostin 25 | [no description available] | medium | 2 | 0 | benzenetriol | |
tyrphostin a1 | [no description available] | medium | 1 | 0 | methoxybenzenes | geroprotector |
1-aminoindan-1,5-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
alpha-methyltyrosine methyl ester | [no description available] | medium | 1 | 0 | | |
amfonelic acid | [no description available] | medium | 1 | 0 | | |
aniracetam | [no description available] | medium | 2 | 0 | N-acylpyrrolidine; pyrrolidin-2-ones | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 3 | 0 | | |
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate | [no description available] | medium | 1 | 0 | alpha-amino acid | |
aurintricarboxylic acid | [no description available] | medium | 6 | 0 | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
bay-k-8644 | [no description available] | medium | 7 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
bml 190 | [no description available] | medium | 2 | 0 | N-acylindole | |
carbetapentane | [no description available] | medium | 1 | 0 | benzenes | |
carisoprodol | [no description available] | medium | 4 | 0 | carbamate ester | muscle relaxant |
cgs 12066 | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; pyrroloquinoxaline | serotonergic agonist |
cgs 15943 | [no description available] | medium | 2 | 0 | aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline | adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant |
chlorzoxazone | [no description available] | medium | 8 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
cilostamide | [no description available] | medium | 2 | 0 | quinolines | |
cilostazol | [no description available] | medium | 6 | 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 |
cx546 | [no description available] | medium | 1 | 0 | | |
cyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
dephostatin | [no description available] | medium | 3 | 0 | | |
nonivamide | [no description available] | medium | 1 | 0 | capsaicinoid; phenols | lachrymator |
r 59022 | [no description available] | medium | 1 | 0 | diarylmethane | |
pentetic acid | [no description available] | medium | 3 | 0 | pentacarboxylic acid | copper chelator |
diphenyleneiodonium | [no description available] | medium | 3 | 0 | organic cation | |
dipyridamole | [no description available] | medium | 13 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
2-amino-7-phosphonoheptanoic acid | [no description available] | medium | 1 | 0 | | |
thiorphan | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
2,3-dimethoxy-1,4-naphthoquinone | [no description available] | medium | 3 | 0 | 1,4-naphthoquinones | |
ebselen | [no description available] | medium | 4 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
ellipticine | [no description available] | medium | 4 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
fluspirilene | [no description available] | medium | 4 | 0 | diarylmethane | |
formoterol fumarate | [no description available] | medium | 2 | 0 | formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound | |
fpl 64176 | [no description available] | medium | 2 | 0 | carboxylic ester; pyrroles | calcium channel agonist |
furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
fusaric acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; pyridines | |
4-amino-5-hexynoic acid | [no description available] | medium | 1 | 0 | | |
1-(5-isoquinolinesulfonyl)piperazine | [no description available] | medium | 1 | 0 | isoquinolines | |
hemicholinium 3 | [no description available] | medium | 1 | 0 | morpholines | |
4-fluorohexahydrosiladifenidol | [no description available] | medium | 1 | 0 | | |
ibudilast | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
ic 261 | [no description available] | medium | 2 | 0 | indoles | |
ifenprodil | [no description available] | medium | 1 | 0 | piperidines | |
indirubin-3'-monoxime | [no description available] | medium | 2 | 0 | | |
iodoacetamide | [no description available] | medium | 3 | 0 | | |
1-methyl-3-isobutylxanthine | [no description available] | medium | 48 | 0 | 3-isobutyl-1-methylxanthine | |
4-piperidinecarboxylic acid | [no description available] | medium | 2 | 0 | | |
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | [no description available] | medium | 1 | 0 | | |
jl 18 | [no description available] | medium | 2 | 0 | | |
nsc 664704 | [no description available] | medium | 3 | 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 |
kynurenic acid | [no description available] | medium | 1 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
2-amino-3-phosphonopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
leflunomide | [no description available] | high | 9 | 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 |
linopirdine | [no description available] | medium | 2 | 0 | indoles | |
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 |
meclofenamate sodium anhydrous | [no description available] | medium | 4 | 0 | organic sodium salt | |
methiothepin | [no description available] | medium | 1 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
methoctramine | [no description available] | medium | 1 | 0 | aromatic ether; tetramine | muscarinic antagonist |
nocodazole | [no description available] | high | 12 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
metolazone | [no description available] | medium | 5 | 0 | organochlorine compound; quinazolines; sulfonamide | antihypertensive agent; diuretic; ion transport inhibitor |
mitotane | [no description available] | medium | 5 | 0 | diarylmethane | |
ml 7 | [no description available] | medium | 4 | 0 | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 2 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
n-bromoacetamide | [no description available] | medium | 1 | 0 | | |
ethylmaleimide | [no description available] | medium | 9 | 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 |
fg 7142 | [no description available] | medium | 2 | 0 | beta-carbolines | |
fenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
n 0840 | [no description available] | medium | 2 | 0 | | |
nialamide | [no description available] | medium | 5 | 0 | organonitrogen compound; organooxygen compound | |
niflumic acid | [no description available] | medium | 3 | 0 | aromatic carboxylic acid; pyridines | |
nimesulide | [no description available] | medium | 9 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nipecotic acid | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid | |
5-nitro-2-(3-phenylpropylamino)benzoic acid | [no description available] | medium | 2 | 0 | nitrobenzoic acid | |
ns 2028 | [no description available] | medium | 1 | 0 | | |
ns 1619 | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener |
o(6)-benzylguanine | [no description available] | medium | 2 | 0 | | |
olomoucine | [no description available] | medium | 2 | 0 | 2,6-diaminopurines; ethanolamines | EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
oxatomide | [no description available] | medium | 2 | 0 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
oxiracetam | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
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 |
quinone | [no description available] | medium | 3 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
palmidrol | [no description available] | medium | 2 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
1,7-dimethylxanthine | [no description available] | medium | 1 | 0 | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite |
phenyl biguanide | [no description available] | medium | 2 | 0 | guanidines | central nervous system drug |
phloretin | [no description available] | medium | 3 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
picotamide | [no description available] | medium | 2 | 0 | benzamides | |
pinacidil | [no description available] | medium | 7 | 0 | pyridines | |
piperidine-4-sulfonic acid | [no description available] | medium | 1 | 0 | | |
piracetam | [no description available] | medium | 4 | 0 | organonitrogen compound; organooxygen compound | |
pirenperone | [no description available] | medium | 3 | 0 | aromatic ketone | |
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 |
propentofylline | [no description available] | medium | 2 | 0 | oxopurine | |
pf 5901 | [no description available] | medium | 3 | 0 | quinolines | |
ritanserin | [no description available] | medium | 3 | 0 | organofluorine compound; piperidines; thiazolopyrimidine | antidepressant; antipsychotic agent; anxiolytic drug; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 3 | 0 | methoxybenzenes | |
sb 202190 | [no description available] | medium | 11 | 0 | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
sobuzoxane | [no description available] | medium | 3 | 0 | organic molecular entity | |
spiroxatrine | [no description available] | medium | 2 | 0 | imidazolidines | |
sq 22536 | [no description available] | medium | 1 | 0 | nucleoside analogue; oxolanes | EC 4.6.1.1 (adenylate cyclase) inhibitor |
sulfaphenazole | [no description available] | medium | 3 | 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 |
t0156 | [no description available] | medium | 2 | 0 | naphthyridine derivative | |
1,4-bis(2-(3,5-dichloropyridyloxy))benzene | [no description available] | medium | 4 | 0 | | |
tetraisopropylpyrophosphamide | [no description available] | medium | 2 | 0 | phosphoramide | |
theobromine | [no description available] | medium | 2 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
tolazamide | [no description available] | medium | 7 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid | [no description available] | medium | 1 | 0 | | |
ici 136,753 | [no description available] | medium | 2 | 0 | pyrazolopyridine | |
tropicamide | [no description available] | medium | 2 | 0 | acetamides | |
tyrphostin a9 | [no description available] | medium | 2 | 0 | alkylbenzene | geroprotector |
vigabatrin | [no description available] | medium | 4 | 0 | gamma-amino acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine | [no description available] | medium | 2 | 0 | | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole | [no description available] | medium | 2 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
zardaverine | [no description available] | medium | 1 | 0 | organofluorine compound; pyridazinone | anti-asthmatic drug; bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; peripheral nervous system drug |
cortisone acetate | [no description available] | medium | 3 | 0 | corticosteroid hormone | |
reserpine | [no description available] | medium | 8 | 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 |
procaine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
isoproterenol hydrochloride | [no description available] | medium | 4 | 0 | catechols | |
histamine dihydrochloride | [no description available] | medium | 2 | 0 | | |
carbachol | [no description available] | medium | 15 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
promazine hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | |
pilocarpine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 3 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
pentylenetetrazole | [no description available] | medium | 3 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
racepinephrine hydrochloride | [no description available] | medium | 2 | 0 | | |
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 2 | 0 | | |
hexamethonium bromide | [no description available] | medium | 1 | 0 | | |
cystamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
cantharidin | [no description available] | medium | 5 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
tetraethylammonium chloride | [no description available] | medium | 2 | 0 | organic chloride salt; quaternary ammonium salt | potassium channel blocker |
aspartic acid | [no description available] | medium | 9 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
glutamine | [no description available] | high | 12 | 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 |
physostigmine | [no description available] | medium | 8 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
apomorphine | [no description available] | medium | 6 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
promethazine hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
bromodeoxyuridine | [no description available] | high | 80 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
levodopa | [no description available] | high | 13 | 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 |
methoxamine hydrochloride | [no description available] | medium | 5 | 0 | dimethoxybenzene | |
papaverine hydrochloride | [no description available] | medium | 4 | 0 | | |
berlition | [no description available] | medium | 3 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
methacholine chloride | [no description available] | medium | 7 | 0 | quaternary ammonium salt | |
androstenedione | [no description available] | high | 7 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
colchicine | [no description available] | high | 31 | 1 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
colchicine | [no description available] | high | 31 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
yohimbine hydrochloride | [no description available] | medium | 3 | 0 | | |
gallamine triethiodide | [no description available] | medium | 3 | 0 | | |
cycloheximide | [no description available] | medium | 202 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
egtazic acid | [no description available] | medium | 10 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
cycloserine | [no description available] | medium | 4 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
quinacrine monohydrochloride | [no description available] | medium | 2 | 0 | | |
chlorpromazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug |
cytarabine hydrochloride | [no description available] | medium | 2 | 0 | | |
tryptophan | [no description available] | high | 15 | 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 |
lidocaine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-arrhythmia drug; local anaesthetic |
arginine | [no description available] | medium | 31 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
synephrine | [no description available] | medium | 3 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
pyridostigmine bromide | [no description available] | medium | 5 | 0 | pyridinium salt | |
imipramine hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | antidepressant |
neostigmine bromide | [no description available] | medium | 4 | 0 | bromide salt | |
edrophonium chloride | [no description available] | medium | 4 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
suramin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | 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 |
pyrazolanthrone | [no description available] | medium | 7 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
methapyrilene hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
tetrracaine hydrochloride | [no description available] | medium | 4 | 0 | benzoate ester | |
chelidamic acid | [no description available] | medium | 1 | 0 | | |
2-chloroadenosine | [no description available] | medium | 5 | 0 | purine nucleoside | |
diphenhydramine hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
cysteamine hydrochloride | [no description available] | medium | 1 | 0 | | |
propantheline bromide | [no description available] | medium | 4 | 0 | xanthenes | |
hydralazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; vasodilator agent |
ethamivan | [no description available] | medium | 2 | 0 | methoxybenzenes; phenols | |
pargyline hydrochloride | [no description available] | medium | 3 | 0 | | |
aminophylline | [no description available] | medium | 7 | 0 | mixture | bronchodilator agent; cardiotonic drug |
azacitidine | [no description available] | high | 93 | 5 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
azacitidine | [no description available] | high | 93 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
orphenadrine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 2 | 0 | | |
cyproterone acetate | [no description available] | medium | 12 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
cyproterone acetate | [no description available] | medium | 12 | 1 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
bicuculline | [no description available] | medium | 6 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
kainic acid | [no description available] | medium | 9 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
tetrahydrozoline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
dequalinium chloride | [no description available] | medium | 2 | 0 | organic chloride salt | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
decamethonium dibromide | [no description available] | medium | 2 | 0 | | |
amitriptyline hydrochloride | [no description available] | medium | 5 | 0 | organic tricyclic compound | |
naphazoline hydrochloride | [no description available] | medium | 3 | 0 | organic molecular entity | |
doxylamine succinate | [no description available] | medium | 4 | 0 | organic molecular entity | |
carbamylhydrazine monohydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
formestane | [no description available] | medium | 3 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
debrisoquin sulfate | [no description available] | medium | 1 | 0 | organic sulfate salt | |
betaine hydrochloride | [no description available] | medium | 3 | 0 | | |
bethanechol chloride | [no description available] | medium | 2 | 0 | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist |
Mecamylamine hydrochloride | [no description available] | medium | 2 | 0 | monoterpenoid | |
vinblastine | [no description available] | medium | 2 | 0 | | |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 5 | 0 | hydrochloride | |
azetidyl-2-carboxylic acid | [no description available] | medium | 1 | 0 | azetidine-2-carboxylic acid | |
muscarine | [no description available] | medium | 2 | 0 | | |
antazoline hydrochloride | [no description available] | medium | 3 | 0 | | |
doxifluridine | [no description available] | medium | 2 | 0 | organofluorine compound; pyrimidine 5'-deoxyribonucleoside | antimetabolite; antineoplastic agent; prodrug |
meclofenoxate hydrochloride | [no description available] | medium | 1 | 0 | | |
clonidine hydrochloride | [no description available] | medium | 3 | 0 | dichlorobenzene | |
buthionine sulfoximine | [no description available] | medium | 8 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
mexiletine hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | anti-arrhythmia drug |
cyclophosphamide | [no description available] | medium | 1 | 0 | hydrate | alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent |
suxamethonium chloride | [no description available] | medium | 1 | 0 | chloride salt | muscle relaxant |
cyclobenzaprine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant; muscle relaxant |
n-methylaspartate | [no description available] | medium | 15 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
3-deazaadenosine | [no description available] | medium | 3 | 0 | | |
metoclopramide hydrochloride | [no description available] | medium | 5 | 0 | | |
isoetharine mesylate | [no description available] | medium | 3 | 0 | | |
propionylpromazine hydrochloride | [no description available] | medium | 2 | 0 | | |
nsc-145,668 | [no description available] | medium | 1 | 0 | hydrochloride | antimetabolite; antineoplastic agent |
clodronic acid | [no description available] | high | 3 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
benserazide hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
pancuronium bromide | [no description available] | medium | 3 | 0 | bromide salt | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
tetradecanoylphorbol acetate | [no description available] | high | 769 | 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 |
metergoline | [no description available] | medium | 4 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
lisuride | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent; antiparkinson drug; dopamine agonist; serotonergic agonist |
disopyramide phosphate | [no description available] | medium | 4 | 0 | organoammonium phosphate | |
ergocristine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
triamcinolone | [no description available] | medium | 14 | 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 |
triamcinolone | [no description available] | medium | 14 | 2 | 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 |
buspirone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
propafenone hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | anti-arrhythmia drug |
etazolate hydrochloride | [no description available] | medium | 2 | 0 | | |
butaclamol | [no description available] | medium | 1 | 0 | amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound | dopaminergic antagonist |
carbidopa | [no description available] | medium | 4 | 0 | catechols; hydrate; hydrazines; monocarboxylic acid | antidyskinesia agent; antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
cephradine | [no description available] | medium | 5 | 0 | beta-lactam antibiotic allergen; cephalosporin | antibacterial drug |
lonidamine | [no description available] | medium | 2 | 0 | dichlorobenzene; indazoles; monocarboxylic acid | antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector |
quisqualic acid | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
pirfenidone | [no description available] | medium | 3 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flecainide acetate | [no description available] | medium | 5 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 6 | 0 | dihydropyridine | geroprotector |
terazosin hydrochloride anhydrous | [no description available] | medium | 3 | 0 | | |
pergolide mesylate | [no description available] | medium | 4 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
alo 2145 | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist; antiglaucoma drug |
atomoxetine | [no description available] | medium | 5 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
raloxifene hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
mifepristone | [no description available] | medium | 21 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
quinpirole hydrochloride | [no description available] | medium | 1 | 0 | | |
imazodan | [no description available] | medium | 1 | 0 | | |
mibefradil dihydrochloride | [no description available] | medium | 2 | 0 | | |
aptiganel hydrochloride | [no description available] | medium | 2 | 0 | | |
phenelzine sulfate | [no description available] | medium | 2 | 0 | organic molecular entity | |
fluoxetine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
propranolol hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
bupropion hydrochloride | [no description available] | medium | 5 | 0 | aromatic ketone | |
diltiazem hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
trazodone hydrochloride | [no description available] | medium | 6 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 6 | 0 | | |
doxazosin mesylate | [no description available] | medium | 4 | 0 | methanesulfonate salt | geroprotector |
terfenadine | [no description available] | medium | 2 | 0 | diarylmethane | |
amantadine hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
dobutamine hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
desipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | drug allergen |
dopamine hydrochloride | [no description available] | medium | 3 | 0 | catecholamine | |
proadifen hydrochloride | [no description available] | medium | 2 | 0 | | |
4-nitrobenzylthioinosine | [no description available] | medium | 5 | 0 | purine nucleoside | |
metrifudil | [no description available] | medium | 1 | 0 | | |
rutecarpine | [no description available] | medium | 4 | 0 | beta-carbolines | |
trihexyphenidyl hydrochloride | [no description available] | medium | 3 | 0 | aralkylamine | |
thioridazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
procainamide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anti-arrhythmia drug |
siquil | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent |
sotalol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; beta-adrenergic antagonist |
oxymetazoline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
alprenolol hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
fluphenazine hydrochloride | [no description available] | medium | 2 | 0 | phenothiazines | anticoronaviral agent |
tryptamine monohydrochloride | [no description available] | medium | 2 | 0 | | |
clomipramine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
amiloride hydrochloride | [no description available] | medium | 4 | 0 | hydrate | diuretic; sodium channel blocker |
prazosin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | |
mianserin hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | geroprotector |
lomefloxacin hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | antimicrobial agent; antitubercular agent; photosensitizing agent |
fenspiride hydrochloride | [no description available] | medium | 2 | 0 | | |
nilverm | [no description available] | medium | 2 | 0 | organic molecular entity | |
sanguinarine chloride | [no description available] | medium | 2 | 0 | | |
ropinirole hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
plasmenylserine | [no description available] | medium | 2 | 0 | O-phosphoserine | EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-aminovaleric acid hydrochloride | [no description available] | medium | 1 | 0 | | |
n-acetyltryptamine | [no description available] | medium | 1 | 0 | acetamides; indoles | |
D-serine | [no description available] | medium | 1 | 0 | D-alpha-amino acid; serine zwitterion; serine | Escherichia coli metabolite; human metabolite; NMDA receptor agonist |
dihydroergotamine mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent |
ranolazine hydrochloride | [no description available] | medium | 2 | 0 | | |
loxapine succinate | [no description available] | medium | 4 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | medium | 3 | 0 | acetamides | geroprotector |
pirenzepine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
labetalol hydrochloride | [no description available] | medium | 3 | 0 | salicylamides | |
acecainide hydrochloride | [no description available] | medium | 2 | 0 | | |
loperamide hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
maprotiline hydrochloride | [no description available] | medium | 3 | 0 | anthracenes | |
protoporphyrin ix, disodium salt | [no description available] | medium | 1 | 0 | | |
siguazodan | [no description available] | medium | 1 | 0 | pyridazinone | |
3-octadecanamido-2-ethoxypropylphosphocholine | [no description available] | medium | 1 | 0 | | |
chelerythrine chloride | [no description available] | medium | 3 | 0 | | |
tosyllysine chloromethyl ketone | [no description available] | medium | 2 | 0 | | |
5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 2 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | EC 2.7.11.13 (protein kinase C) inhibitor |
amperozide hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
pyrrolidine dithiocarbamic acid | [no description available] | medium | 2 | 0 | | |
agroclavine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
s-methylisothiourea sulfate | [no description available] | medium | 1 | 0 | | |
p-Aminobenzamidine dihydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
benzamidine hydrochloride | [no description available] | medium | 1 | 0 | | |
ketorolac tromethamine | [no description available] | medium | 4 | 0 | organoammonium salt | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor |
methionine sulfoximine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfoximine; non-proteinogenic L-alpha-amino acid | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; geroprotector |
tretazicar | [no description available] | medium | 1 | 0 | | |
carbetapentane citrate | [no description available] | medium | 2 | 0 | carbonyl compound | |
phentolamine mesylate | [no description available] | medium | 5 | 0 | | |
mephentermine | [no description available] | medium | 2 | 0 | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite |
oxybutynin hydrochloride | [no description available] | medium | 5 | 0 | hydrochloride | |
nimustine | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent |
cordium | [no description available] | medium | 3 | 0 | hydrate; hydrochloride | |
L-2-aminoadipic acid | [no description available] | medium | 1 | 0 | 2-aminoadipic acid | Escherichia coli metabolite; human metabolite |
prilocaine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | local anaesthetic |
mor-14 | [no description available] | medium | 1 | 0 | hydroxypiperidine; piperidine alkaloid; tertiary amino compound | anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite |
phenylisopropyladenosine | [no description available] | medium | 1 | 0 | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent |
hexamethonium chloride | [no description available] | medium | 1 | 0 | | |
6-(4-nitrobenzylthio)guanosine | [no description available] | medium | 2 | 0 | | |
3-aminopropylphosphonic acid | [no description available] | medium | 1 | 0 | phosphonic acids; primary amino compound; zwitterion | GABAB receptor agonist |
5'-n-methylcarboxamideadenosine | [no description available] | medium | 1 | 0 | | |
3,7-dimethyl-1-propargylxanthine | [no description available] | medium | 1 | 0 | | |
zpck | [no description available] | medium | 3 | 0 | | |
n(6)-phenyladenosine | [no description available] | medium | 2 | 0 | purine nucleoside | |
tetrahydrodeoxycorticosterone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
mizoribine | [no description available] | medium | 3 | 0 | imidazoles | anticoronaviral agent |
1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 1 | 0 | | |
u 73122 | [no description available] | medium | 3 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
alphaxalone | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
s-nitrosoglutathione | [no description available] | high | 3 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
cp-55,940 | [no description available] | medium | 2 | 0 | | |
vanoxerine | [no description available] | medium | 2 | 0 | hydrochloride | dopamine uptake inhibitor |
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate | [no description available] | medium | 2 | 0 | beta-carbolines | |
u 69593 | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; N-alkylpyrrolidine; organic heterobicyclic compound; oxaspiro compound | anti-inflammatory agent; diuretic; kappa-opioid receptor agonist |
cv 3988 | [no description available] | medium | 2 | 0 | | |
beta-carboline-3-carboxylic acid methyl ester | [no description available] | medium | 2 | 0 | beta-carbolines | |
methoctramine | [no description available] | medium | 2 | 0 | hydrochloride | muscarinic antagonist |
hypotaurine | [no description available] | medium | 1 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
dihydrokainate | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
gabazine | [no description available] | medium | 1 | 0 | | |
cl 218872 | [no description available] | medium | 1 | 0 | pyridazines; ring assembly | |
betaxolol hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
catechin | [no description available] | medium | 2 | 0 | hydrate | geroprotector |
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine | [no description available] | medium | 2 | 0 | hydrobromide | serotonergic antagonist |
s-methylthiocitrulline | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent |
dihydrocapsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | |
ml 9 | [no description available] | medium | 1 | 0 | | |
parthenolide | [no description available] | medium | 6 | 0 | germacranolide | |
3',4'-dichlorobenzamil | [no description available] | medium | 2 | 0 | guanidines; pyrazines | |
1-(carboxymethylthio)tetradecane | [no description available] | medium | 1 | 0 | straight-chain fatty acid | |
2-iodomelatonin | [no description available] | medium | 1 | 0 | acetamides | |
arcaine, sulfate | [no description available] | medium | 1 | 0 | | |
gr 113808 | [no description available] | medium | 2 | 0 | indolyl carboxylate ester; piperidines; sulfonamide | serotonergic antagonist |
gallopamil hydrochloride | [no description available] | medium | 3 | 0 | | |
gamma-glutamylaminomethylsulfonic acid | [no description available] | medium | 1 | 0 | | |
buthionine sulfoximine | [no description available] | medium | 2 | 0 | 2-amino-4-(S-butylsulfonimidoyl)butanoic acid | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
sb 204070a | [no description available] | medium | 3 | 0 | | |
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; N-alkylpiperazine; N-arylpiperazine; primary arylamine; substituted aniline | geroprotector; serotonergic agonist |
l 655240 | [no description available] | medium | 1 | 0 | methylindole | |
san 58035 | [no description available] | medium | 2 | 0 | | |
nnc 711 | [no description available] | medium | 1 | 0 | | |
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide | [no description available] | medium | 2 | 0 | diarylmethane | |
e 64 | [no description available] | medium | 3 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
azetidine-2,4-dicarboxylic acid | [no description available] | medium | 1 | 0 | | |
pre 084 | [no description available] | medium | 2 | 0 | morpholines | |
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol | [no description available] | medium | 2 | 0 | | |
sr 2640 | [no description available] | medium | 2 | 0 | quinolines | |
ici 204448 | [no description available] | medium | 1 | 0 | | |
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride | [no description available] | medium | 1 | 0 | | |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide | [no description available] | medium | 2 | 0 | phenylindole | |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 1 | 0 | | |
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | [no description available] | medium | 2 | 0 | | |
l 741626 | [no description available] | medium | 2 | 0 | piperidines | |
nisoxetine hydrochloride | [no description available] | medium | 2 | 0 | | |
ng-nitroarginine methyl ester | [no description available] | medium | 1 | 0 | hydrochloride | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
tilarginine acetate | [no description available] | medium | 1 | 0 | | |
alpha-guanidinoglutaric acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative | |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [no description available] | medium | 3 | 0 | | |
imidazole-4-acetic acid hydrochloride | [no description available] | medium | 1 | 0 | | |
nsc-141549 | [no description available] | medium | 4 | 0 | | |
2-chloro-2-deoxyglucose | [no description available] | medium | 1 | 0 | | |
idazoxan hydrochloride | [no description available] | medium | 3 | 0 | | |
isoguvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
8-methoxymethyl-3-isobutyl-1-methylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
Serotonin hydrochloride | [no description available] | medium | 1 | 0 | tryptamines | |
n-phthaloylglutamic acid | [no description available] | medium | 1 | 0 | L-glutamic acid derivative; phthalimides | |
1,3-dipropyl-7-methylxanthine | [no description available] | medium | 1 | 0 | | |
ag 3-5 | [no description available] | medium | 1 | 0 | C-nitro compound | |
n-n-propylnorapomorphine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
urapidil monohydrochloride | [no description available] | medium | 2 | 0 | | |
aminopterin | [no description available] | medium | 4 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
azepexole, dihydrochloride | [no description available] | medium | 1 | 0 | | |
2,5-dimethoxy-4-iodoamphetamine hydrochloride | [no description available] | medium | 1 | 0 | | |
abt 980 | [no description available] | medium | 2 | 0 | | |
sk&f 75670 | [no description available] | medium | 2 | 0 | | |
esatenolol | [no description available] | medium | 1 | 0 | atenolol | beta-adrenergic antagonist |
nbi 27914 | [no description available] | medium | 2 | 0 | dialkylarylamine; tertiary amino compound | |
sb 216763 | [no description available] | medium | 4 | 0 | indoles; maleimides | |
(R)-atenolol | [no description available] | medium | 1 | 0 | atenolol | |
memantine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
pefabloc | [no description available] | medium | 1 | 0 | | |
pongidae | [no description available] | medium | 2 | 0 | | |
succinylproline | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
sb 205384 | [no description available] | medium | 2 | 0 | thienopyridine | |
hydrastine | [no description available] | medium | 2 | 0 | isoquinolines | metabolite |
gabaculine hydrochloride | [no description available] | medium | 1 | 0 | | |
etiron monohydrobromide | [no description available] | medium | 1 | 0 | | |
bmy 7378 | [no description available] | medium | 1 | 0 | | |
vesamicol | [no description available] | medium | 1 | 0 | | |
cortisone | [no description available] | high | 7 | 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 |
vincristine sulfate | [no description available] | medium | 6 | 0 | organic sulfate salt | antineoplastic agent; geroprotector |
n-methylserotonin oxalate salt | [no description available] | medium | 1 | 0 | | |
nsc 95397 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones | |
lithium chloride | [no description available] | medium | 28 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
canavanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
ouabain | [no description available] | medium | 14 | 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 |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 12 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
monoiodotyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite |
nitroarginine | [no description available] | medium | 1 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
willardiine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | |
cortodoxone | [no description available] | high | 4 | 1 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cortodoxone | [no description available] | high | 4 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
amiodarone hydrochloride | [no description available] | medium | 3 | 0 | aromatic ketone | |
dicyclomine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antispasmodic drug; muscarinic antagonist |
nortriptyline hydrochloride | [no description available] | medium | 5 | 0 | organic tricyclic compound | geroprotector |
paromomycin sulfate | [no description available] | medium | 3 | 0 | | |
Dubinidine | [no description available] | medium | 2 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
cyclopamine | [no description available] | medium | 10 | 0 | piperidines | glioma-associated oncogene inhibitor |
s-(4-azidophenacyl)glutathione | [no description available] | medium | 2 | 0 | peptide | |
hydroxylamine hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
sb 228357 | [no description available] | medium | 2 | 0 | indolyl carboxylic acid | |
3,5-dihydroxyphenylglycine | [no description available] | medium | 1 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | |
actinonin | [no description available] | medium | 2 | 0 | | |
vinpocetine | [no description available] | medium | 4 | 0 | alkaloid | geroprotector |
dihydroergocristine monomesylate | [no description available] | medium | 4 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
resveratrol | [no description available] | high | 24 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
oleic acid | [no description available] | high | 19 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
thapsigargin | [no description available] | medium | 13 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
brivudine | [no description available] | medium | 1 | 0 | | |
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol | [no description available] | medium | 2 | 0 | carbotetracyclic compound; polyphenol | estrogen receptor agonist; estrogen receptor antagonist; geroprotector; neuroprotective agent |
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid | [no description available] | medium | 1 | 0 | | |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 2 | 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 |
L-cycloserine | [no description available] | medium | 2 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
1,4-dideoxy-1,4-imino-d-arabinitol | [no description available] | medium | 1 | 0 | | |
purvalanol a | [no description available] | medium | 1 | 0 | purvalanol | |
isoliquiritigenin | [no description available] | medium | 3 | 0 | chalcones | antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist |
rauwolscine | [no description available] | medium | 2 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | |
gw9662 | [no description available] | medium | 9 | 0 | benzamides | |
calmidazolium | [no description available] | medium | 3 | 0 | organic chloride salt | apoptosis inducer; calmodulin antagonist |
tropisetron hydrochloride | [no description available] | medium | 2 | 0 | | |
Reactive blue 2 | [no description available] | medium | 1 | 0 | anthraquinone | |
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one | [no description available] | medium | 1 | 0 | dichlorobenzene | |
quinidine sulfate | [no description available] | medium | 2 | 0 | | |
methamilane methiodide | [no description available] | medium | 2 | 0 | | |
pilocarpine nitrate | [no description available] | medium | 2 | 0 | | |
r 59949 | [no description available] | medium | 2 | 0 | diarylmethane | |
n(6)-cyclopentyladenosine | [no description available] | medium | 3 | 0 | | |
methylatropine nitrate | [no description available] | medium | 2 | 0 | | |
sb 366791 | [no description available] | medium | 2 | 0 | | |
ag-213 | [no description available] | medium | 2 | 0 | | |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 6 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
bemesetron | [no description available] | medium | 2 | 0 | | |
(S)-(-)-pindolol | [no description available] | medium | 1 | 0 | pindolol | |
levosulpiride | [no description available] | medium | 2 | 0 | sulpiride | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
caffeic acid | [no description available] | medium | 11 | 0 | caffeic acid | geroprotector; mouse metabolite |
4-fluorophenyl-L-alanine | [no description available] | medium | 2 | 0 | 4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid | |
urocanic acid | [no description available] | medium | 2 | 0 | urocanic acid | human metabolite |
cotinine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
cysteine sulfinic acid | [no description available] | medium | 1 | 0 | organosulfinic acid; S-substituted L-cysteine | Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite |
d-ap7 | [no description available] | medium | 1 | 0 | | |
(1R,2S)-tranylcypromine hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride | |
tacrine hydrochloride | [no description available] | medium | 4 | 0 | | |
4-bromotetramisole, oxalate (1:1), salt(s)-isomer | [no description available] | medium | 2 | 0 | | |
3-hydroxybenzylhydrazine hydrochloride | [no description available] | medium | 2 | 0 | | |
1-(3-chlorophenyl)biguanide hydrochloride | [no description available] | medium | 2 | 0 | | |
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer | [no description available] | medium | 1 | 0 | | |
capsazepine | [no description available] | medium | 2 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
diphenyleneiodium chloride | [no description available] | medium | 2 | 0 | organic chloride salt | EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; G-protein-coupled receptor agonist |
azetidine-2,4-dicarboxylic acid, (cis)-isomer | [no description available] | medium | 1 | 0 | | |
tamoxifen citrate | [no description available] | medium | 2 | 0 | citrate salt | angiogenesis inhibitor; anticoronaviral agent |
pimagedine hydrochloride | [no description available] | medium | 1 | 0 | | |
Betaine Aldehyde Chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
eskazine | [no description available] | medium | 3 | 0 | | |
monastrol | [no description available] | medium | 1 | 0 | enoate ester; ethyl ester; phenols; racemate; thioureas | antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor |
u 0126 | [no description available] | medium | 18 | 0 | aryl sulfide; dinitrile; enamine; substituted aniline | antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent |
4-diphenylacetoxy-n-methylpiperidine methiodide | [no description available] | medium | 2 | 0 | iodide salt; quaternary ammonium salt | cholinergic antagonist; muscarinic antagonist |
1-(4-hydroxybenzyl)imidazole-2-thiol | [no description available] | medium | 1 | 0 | | |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 2 | 0 | | |
bp 897 | [no description available] | medium | 2 | 0 | naphthalenecarboxamide | |
trequinsin hydrochloride | [no description available] | medium | 2 | 0 | | |
neboglamine | [no description available] | medium | 1 | 0 | | |
benzatropine methanesulfonate | [no description available] | medium | 2 | 0 | | |
sb 203186 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | medium | 2 | 0 | 1,2-thiazoles; indoles; ureas | receptor modulator; serotonergic antagonist |
gw 7647 | [no description available] | medium | 5 | 0 | aryl sulfide; monocarboxylic acid; ureas | PPARalpha agonist |
ro 41-0960 | [no description available] | medium | 2 | 0 | | |
cgp 13501 | [no description available] | medium | 1 | 0 | alkylbenzene | |
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide | [no description available] | medium | 2 | 0 | | |
brl 15572 | [no description available] | medium | 2 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol | geroprotector; serotonergic antagonist |
mrs 1523 | [no description available] | medium | 2 | 0 | | |
or486 | [no description available] | medium | 1 | 0 | | |
fg 9041 | [no description available] | medium | 3 | 0 | quinoxaline derivative | |
iik7 | [no description available] | medium | 1 | 0 | | |
sb 415286 | [no description available] | medium | 3 | 0 | C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline | antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
dm 235 | [no description available] | medium | 2 | 0 | | |
jhw 015 | [no description available] | medium | 2 | 0 | indolecarboxamide | |
bw 723c86 | [no description available] | medium | 2 | 0 | tryptamines | |
sc-19220 | [no description available] | medium | 1 | 0 | aromatic ether | |
le 300 | [no description available] | medium | 2 | 0 | indoles | |
ly 367265 | [no description available] | medium | 2 | 0 | dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline | antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor |
diclofenac sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
cgp 7930 | [no description available] | medium | 2 | 0 | alkylbenzene | |
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | medium | 2 | 0 | phenols; pyrazoles | estrogen receptor agonist |
sib 1757 | [no description available] | medium | 2 | 0 | | |
sphingosine | [no description available] | high | 28 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
luteolin | [no description available] | high | 4 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
daphnetin | [no description available] | medium | 2 | 0 | hydroxycoumarin | |
timolol maleate | [no description available] | medium | 5 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 6 | 0 | maleate salt | anti-allergic agent |
chlorpheniramine maleate | [no description available] | medium | 4 | 0 | organic molecular entity | |
clemastine fumarate | [no description available] | medium | 4 | 0 | fumarate salt | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
methylergonovine maleate | [no description available] | medium | 4 | 0 | ergoline alkaloid | geroprotector |
astaxanthine | [no description available] | medium | 5 | 0 | carotenol; carotenone | animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite |
harman | [no description available] | medium | 2 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
morin | [no description available] | medium | 4 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent |
myricetin | [no description available] | medium | 4 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
daidzein | [no description available] | medium | 4 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite |
caffeic acid phenethyl ester | [no description available] | medium | 6 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
rottlerin | [no description available] | medium | 5 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
flupenthixol | [no description available] | medium | 2 | 0 | flupenthixol | dopaminergic antagonist |
n-oleoyldopamine | [no description available] | medium | 3 | 0 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
pheniramine maleate | [no description available] | medium | 3 | 0 | organic molecular entity | |
tranilast | [no description available] | medium | 5 | 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 |
trimipramine maleate | [no description available] | medium | 2 | 0 | maleate salt | antidepressant |
xylometazoline hydrochloride | [no description available] | medium | 3 | 0 | | |
flunarizine hydrochloride | [no description available] | medium | 2 | 0 | diarylmethane | |
ketotifen fumarate | [no description available] | medium | 4 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
cis-flupenthixol dihydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | geroprotector |
n-arachidonylglycine | [no description available] | medium | 2 | 0 | fatty amide; N-acylglycine | |
n-oleoylethanolamine | [no description available] | medium | 3 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
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 |
phenoxybenzamine hydrochloride | [no description available] | medium | 6 | 0 | organic molecular entity | |
phenylephrine hydrochloride | [no description available] | medium | 9 | 0 | hydrochloride | |
mepyramine maleate | [no description available] | medium | 3 | 0 | | |
l-2-(carboxypropyl)glycine | [no description available] | medium | 1 | 0 | | |
4-aminocrotonic acid | [no description available] | medium | 1 | 0 | | |
denopamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
l 655,708 | [no description available] | medium | 2 | 0 | | |
ro 41-1049 | [no description available] | medium | 1 | 0 | | |
sb 200646a | [no description available] | medium | 2 | 0 | | |
seglitide | [no description available] | medium | 1 | 0 | | |
sib 1893 | [no description available] | medium | 1 | 0 | | |
su 6656 | [no description available] | medium | 3 | 0 | | |
tyrphostin ag 555 | [no description available] | medium | 3 | 0 | | |
tyrphostin ag-494 | [no description available] | medium | 1 | 0 | | |
tyrphostin b44 | [no description available] | medium | 2 | 0 | | |
ag-490 | [no description available] | medium | 4 | 0 | catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide | anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor |
ag 112 | [no description available] | medium | 2 | 0 | | |
ag 183 | [no description available] | medium | 2 | 0 | | |
semaxinib | [no description available] | medium | 4 | 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 |
8-(3-chlorostyryl)caffeine | [no description available] | medium | 2 | 0 | monochlorobenzenes; trimethylxanthine | adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor |
bay 11-7085 | [no description available] | medium | 2 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
molsidomine | [no description available] | medium | 4 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
diamide | [no description available] | medium | 1 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
nomifensine maleate | [no description available] | medium | 2 | 0 | | |
nalbuphine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | |
isoalloxazine | [no description available] | medium | 1 | 0 | benzo[g]pteridine-2,4-dione | |
vinblastine sulfate | [no description available] | medium | 6 | 0 | | |
n-methylscopolamine bromide | [no description available] | medium | 3 | 0 | | |
dextromethorphan hydrobromide | [no description available] | medium | 4 | 0 | hydrate; hydrobromide | |
naloxone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
s-trans,trans-farnesylthiosalicylic acid | [no description available] | medium | 2 | 0 | sesquiterpenoid | |
sulindac sulfone | [no description available] | medium | 2 | 0 | monocarboxylic acid; organofluorine compound; sulfone | apoptosis inducer; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
naltrexone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
guanabenz acetate | [no description available] | medium | 4 | 0 | dichlorobenzene | geroprotector |
nylidrin hydrochloride | [no description available] | medium | 3 | 0 | alkylbenzene | |
triprolidine hydrochloride anhydrous | [no description available] | medium | 3 | 0 | hydrochloride | H1-receptor antagonist |
fenoterol | [no description available] | medium | 3 | 0 | hydrobromide | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
tiapridex | [no description available] | medium | 2 | 0 | benzamides | |
quipazine maleate | [no description available] | medium | 2 | 0 | | |
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride | [no description available] | medium | 1 | 0 | | |
tulobuterol hydrochloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
hp 029 | [no description available] | medium | 2 | 0 | | |
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide | [no description available] | medium | 1 | 0 | | |
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | [no description available] | medium | 2 | 0 | naphthalenes | |
nf023 | [no description available] | medium | 1 | 0 | | |
nf 449 | [no description available] | medium | 2 | 0 | | |
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine | [no description available] | medium | 2 | 0 | | |
gr 46611 | [no description available] | medium | 1 | 0 | | |
diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
homatropine hydrobromide, (endo-(+-)-isomer) | [no description available] | medium | 3 | 0 | | |
vancomycin hydrochloride | [no description available] | medium | 1 | 0 | | |
moxisylyte hydrochloride | [no description available] | medium | 2 | 0 | monoterpenoid | |
dizocilpine maleate | [no description available] | medium | 9 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
beta-aminopropionitrile fumarate | [no description available] | medium | 1 | 0 | | |
flupirtine | [no description available] | medium | 2 | 0 | | |
zimelidine hydrochloride | [no description available] | medium | 2 | 0 | | |
pregna-4,17-diene-3,16-dione, (17z)-isomer | [no description available] | medium | 2 | 0 | | |
su 4312 | [no description available] | medium | 2 | 0 | | |
protriptyline hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antidepressant |
n(4)-chloroacetylcytosine arabinoside | [no description available] | medium | 1 | 0 | | |
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide | [no description available] | medium | 2 | 0 | | |
n-(4-amino-2-chlorophenyl)phthalimide | [no description available] | medium | 1 | 0 | | |
cb 34 | [no description available] | medium | 1 | 0 | | |
b 43 | [no description available] | medium | 2 | 0 | aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane | [no description available] | medium | 1 | 0 | | |
2-(3,3-diphenylpropylamino)acetamide | [no description available] | medium | 2 | 0 | diarylmethane | |
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide | [no description available] | medium | 1 | 0 | | |
gw2974 | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
l 162313 | [no description available] | medium | 2 | 0 | | |
l-165041 | [no description available] | medium | 2 | 0 | aromatic ketone | |
mrs 1754 | [no description available] | medium | 1 | 0 | oxopurine | |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 2 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
pd 404182 | [no description available] | medium | 1 | 0 | | |
sb 222200 | [no description available] | medium | 2 | 0 | quinolines | |
dantrolene sodium | [no description available] | medium | 5 | 0 | | |
cr 2945 | [no description available] | medium | 2 | 0 | | |
sb 218795 | [no description available] | medium | 2 | 0 | quinolines | |
dihydroceramide | [no description available] | medium | 1 | 0 | N-acylsphinganine | |
epinephrine bitartrate | [no description available] | medium | 3 | 0 | | |
bicuculline methobromide | [no description available] | medium | 3 | 0 | | |
butylscopolammonium bromide | [no description available] | medium | 3 | 0 | | |
butaclamol hydrochloride | [no description available] | medium | 3 | 0 | | |
a 38503 | [no description available] | medium | 2 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide | [no description available] | medium | 1 | 0 | | |
sk&f 89976-a | [no description available] | medium | 1 | 0 | | |
cv 1808 | [no description available] | medium | 2 | 0 | purine nucleoside | |
fluvoxamine maleate | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes | |
naloxone benzoylhydrazone | [no description available] | medium | 2 | 0 | | |
2-methyl-6-(phenylethynyl)pyridine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | anxiolytic drug; metabotropic glutamate receptor antagonist |
amiprilose | [no description available] | medium | 1 | 0 | | |
(R)-fluoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant; serotonin uptake inhibitor |
desmethylselegiline hydrochloride | [no description available] | medium | 1 | 0 | | |
3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 3 | 0 | | |
t 1032 | [no description available] | medium | 2 | 0 | | |
qx-314 bromide | [no description available] | medium | 1 | 0 | | |
(S)-fluoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant; serotonin uptake inhibitor |
sr 59230a | [no description available] | medium | 2 | 0 | | |
u 74389g | [no description available] | medium | 2 | 0 | | |
1-(2-methoxyphenyl)piperazine hydrochloride | [no description available] | medium | 2 | 0 | | |
y 27632, dihydrochloride, (4(r)-trans)-isomer | [no description available] | medium | 1 | 0 | | |
noscapine hydrochloride | [no description available] | medium | 2 | 0 | | |
a 77636 | [no description available] | medium | 2 | 0 | hydrochloride | antiparkinson drug; dopamine agonist |
cgp 20712a | [no description available] | medium | 2 | 0 | | |
levodopa methyl ester hydrochloride | [no description available] | medium | 2 | 0 | | |
benalfocin hydrochloride | [no description available] | medium | 1 | 0 | | |
lu 19005 | [no description available] | medium | 3 | 0 | | |
benoxathian hydrochloride | [no description available] | medium | 2 | 0 | | |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer | [no description available] | medium | 2 | 0 | | |
n-cyclopropyl adenosine-5'-carboxamide | [no description available] | medium | 1 | 0 | | |
cefotaxime sodium | [no description available] | medium | 3 | 0 | organic sodium salt | |
calpain inhibitor iii | [no description available] | medium | 2 | 0 | | |
GR 127935 hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | serotonergic antagonist |
mrs 1845 | [no description available] | medium | 2 | 0 | | |
1-aminocyclopropane-1-carboxylic acid hydrochloride | [no description available] | medium | 2 | 0 | | |
alaproclate hydrochloride | [no description available] | medium | 2 | 0 | | |
ubenimex | [no description available] | medium | 2 | 0 | peptide | |
3-chloroalanine hydrochloride, (l-ala)-isomer | [no description available] | medium | 1 | 0 | | |
dsp 4 hydrochloride | [no description available] | medium | 2 | 0 | | |
calcimycin | [no description available] | medium | 41 | 0 | benzoxazole | |
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | alpha-adrenergic antagonist |
2-cyclooctyl-2-hydroxyethylamine hydrochloride | [no description available] | medium | 2 | 0 | | |
cirazoline monohydrochloride | [no description available] | medium | 2 | 0 | | |
adtn | [no description available] | medium | 2 | 0 | | |
apocodeine hydrochloride, (r)-isomer | [no description available] | medium | 2 | 0 | | |
Dihydro-beta-erythroidine hydrobromide | [no description available] | medium | 1 | 0 | indoles | |
lilly 78335 | [no description available] | medium | 2 | 0 | | |
efaroxan hydrochloride | [no description available] | medium | 2 | 0 | | |
fenoldopam hydrobromide | [no description available] | medium | 2 | 0 | | |
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | dopamine uptake inhibitor |
guvacine hydrochloride | [no description available] | medium | 1 | 0 | | |
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide | [no description available] | medium | 2 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer, | [no description available] | medium | 2 | 0 | organic molecular entity | |
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one | [no description available] | medium | 2 | 0 | hydrochloride | receptor modulator; serotonergic antagonist |
4-iodoclonidine | [no description available] | medium | 2 | 0 | | |
4-methylpyrazole monohydrochloride | [no description available] | medium | 1 | 0 | | |
tele-methylhistamine | [no description available] | medium | 1 | 0 | | |
alpha-methyltyrosine methyl ester, monohydrochloride | [no description available] | medium | 2 | 0 | | |
octoclothepine maleate | [no description available] | medium | 2 | 0 | | |
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride | [no description available] | medium | 2 | 0 | | |
du 24565 | [no description available] | medium | 2 | 0 | | |
2-methoxyidazoxan hydrochloride | [no description available] | medium | 2 | 0 | | |
ro 25-6981 | [no description available] | medium | 2 | 0 | | |
sk&f 77434 | [no description available] | medium | 2 | 0 | hydrobromide | dopamine agonist; prodrug |
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea | [no description available] | medium | 2 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
demethylcantharidin | [no description available] | medium | 2 | 0 | | |
atropine sulfate | [no description available] | medium | 3 | 0 | | |
1-deoxynojirimycin hydrochloride | [no description available] | medium | 1 | 0 | | |
win 62577 | [no description available] | medium | 2 | 0 | | |
quinine sulfate | [no description available] | medium | 4 | 0 | hydrate | |
quercetin | [no description available] | medium | 2 | 0 | | |
rv 538, (r-(r*,r*))-isomer | [no description available] | medium | 2 | 0 | | |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer | [no description available] | medium | 2 | 0 | | |
valproate sodium | [no description available] | medium | 1 | 0 | organic sodium salt | geroprotector |
u 63557a | [no description available] | medium | 1 | 0 | | |
taurocholic acid, monosodium salt | [no description available] | medium | 2 | 0 | bile salt | |
cefmetazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antimicrobial agent |
fusidate sodium | [no description available] | medium | 2 | 0 | | |
cephapirin sodium | [no description available] | medium | 3 | 0 | cephalosporin; organic sodium salt | antibacterial drug |
sodium cephalothin | [no description available] | medium | 3 | 0 | organic sodium salt | |
cefazolin sodium | [no description available] | medium | 4 | 0 | organic sodium salt | |
5-hydroxydecanoic acid, monosodium salt | [no description available] | medium | 1 | 0 | | |
ro13-9904 | [no description available] | medium | 2 | 0 | | |
phenytoin sodium | [no description available] | medium | 1 | 0 | | |
cr 1409 | [no description available] | medium | 1 | 0 | | |
cortisol succinate, sodium salt | [no description available] | medium | 3 | 0 | organic molecular entity | |
lfm a13 | [no description available] | medium | 1 | 0 | aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor |
l 701324 | [no description available] | medium | 1 | 0 | quinolines | |
hispidin | [no description available] | medium | 2 | 0 | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
minocycline hydrochloride | [no description available] | medium | 5 | 0 | | |
demeclocycline hydrochloride | [no description available] | medium | 5 | 0 | | |
sepiapterin | [no description available] | medium | 1 | 0 | sepiapterin | |
isoxanthopterin | [no description available] | medium | 1 | 0 | dihydroxypteridine | |
zaprinast | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
thiolactomycin | [no description available] | medium | 1 | 0 | | |
2,4-diaminohypoxanthine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
quazinone | [no description available] | medium | 1 | 0 | | |
8-bromocyclic gmp, sodium salt | [no description available] | medium | 2 | 0 | organic sodium salt | muscle relaxant; protein kinase G agonist |
ag-879 | [no description available] | medium | 3 | 0 | | |
bisindolylmaleimide i | [no description available] | medium | 13 | 0 | | |
ml 9 | [no description available] | medium | 2 | 0 | naphthalenes; sulfonic acid derivative | |
san 202791 | [no description available] | medium | 1 | 0 | | |
sdz pco 400 | [no description available] | medium | 1 | 0 | 1-benzopyran | |
u-50488 | [no description available] | medium | 1 | 0 | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
n,n-dimethylsphingenine | [no description available] | medium | 2 | 0 | aminodiol; sphingoid; tertiary amino compound | EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite |
kn 93 | [no description available] | medium | 2 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
phenylamil | [no description available] | medium | 1 | 0 | guanidines; pyrazines | |
adarotene | [no description available] | medium | 8 | 0 | | |
4-(3-(1-adamantyl)-4-hydroxyphenyl)-3-chlorocinnamic acid | [no description available] | medium | 4 | 0 | | |
6-(3'-(1-adamantyl)-4'-hydroxyphenyl)-5-chloronaphthalenecarboxylic acid | [no description available] | medium | 3 | 0 | | |
cycloartenol | [no description available] | medium | 1 | 0 | 3beta-sterol; pentacyclic triterpenoid; phytosterols | plant metabolite |
24-methylene cycloartanol | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
cycloleucalenol | [no description available] | medium | 1 | 0 | 3beta-sterol; pentacyclic triterpenoid; phytosterols | |
cyclolaudenol | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; pentacyclic triterpenoid | plant metabolite |
beta carotene | [no description available] | high | 122 | 6 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
beta carotene | [no description available] | high | 122 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
gamma-oryzanol | [no description available] | medium | 1 | 0 | triterpenoid | |
cycloeucalenone | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid; cyclic terpene ketone; pentacyclic triterpenoid | plant metabolite |
ginsenoside rg3 | [no description available] | medium | 1 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside rk1 | [no description available] | medium | 1 | 0 | | |
amentoflavone | [no description available] | medium | 2 | 0 | biflavonoid; hydroxyflavone; ring assembly | angiogenesis inhibitor; antiviral agent; cathepsin B inhibitor; P450 inhibitor; plant metabolite |
robustaflavone | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavone; ring assembly | anti-HBV agent; antineoplastic agent; antioxidant; metabolite |
taiwaniaflavone | [no description available] | medium | 1 | 0 | | |
retinol palmitate | [no description available] | medium | 96 | 0 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
retinol palmitate | [no description available] | medium | 96 | 1 | all-trans-retinyl ester; retinyl palmitate | antioxidant; Escherichia coli metabolite; human xenobiotic metabolite |
retinyl retinoate | [no description available] | medium | 2 | 0 | | |
ci 994 | [no description available] | medium | 2 | 0 | acetamides; benzamides; substituted aniline | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
sodium butyrate | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector |
ursolic acid | [no description available] | medium | 7 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | geroprotector; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 17 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
arbutin | [no description available] | medium | 4 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
ascorbic acid | [no description available] | medium | 92 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
ascorbic acid | [no description available] | medium | 92 | 3 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
agn 190205 | [no description available] | medium | 3 | 0 | | |
ro 15-1570 | [no description available] | medium | 5 | 0 | | |
temarotene | [no description available] | medium | 8 | 0 | | |
cgp 52411 | [no description available] | medium | 2 | 0 | phthalimides | geroprotector; tyrosine kinase inhibitor |
aa 861 | [no description available] | medium | 3 | 0 | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
bu 224 | [no description available] | medium | 1 | 0 | quinolines | |
pd 169316 | [no description available] | medium | 4 | 0 | imidazoles | |
2-bromoergocryptine mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | antiparkinson drug |
salmeterol xinafoate | [no description available] | medium | 2 | 0 | naphthoic acid | |
eliprodil | [no description available] | medium | 1 | 0 | monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound | |
sertraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; serotonin uptake inhibitor |
opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 1 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
u 78517f | [no description available] | medium | 1 | 0 | | |
mk 912 | [no description available] | medium | 1 | 0 | | |
sk&f 86466 | [no description available] | medium | 1 | 0 | benzazepine | |
w 7 | [no description available] | medium | 1 | 0 | | |
4-(benzodioxan-5-yl)-1-(indan-2-yl)piperazine | [no description available] | medium | 1 | 0 | | |
dizocilpine | [no description available] | medium | 1 | 0 | secondary amino compound; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
6-bromoindirubin-3'-oxime | [no description available] | medium | 3 | 0 | | |
phenylthiazolylthiourea | [no description available] | medium | 1 | 0 | | |
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) | [no description available] | medium | 1 | 0 | benzimidazoles | |
tg 003 | [no description available] | medium | 1 | 0 | | |
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; sulfonamide; toluenes | bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector |
l 663536 | [no description available] | medium | 6 | 0 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
su 9516 | [no description available] | medium | 1 | 0 | | |
ml 10302 | [no description available] | medium | 1 | 0 | | |
ag 538 | [no description available] | medium | 1 | 0 | | |
bw b70c | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid; organofluorine compound; ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
mg 624 | [no description available] | medium | 1 | 0 | | |
5-(4-phenylbutoxy)psoralen | [no description available] | medium | 1 | 0 | aromatic ether; benzenes; psoralens | geroprotector; immunosuppressive agent; potassium channel blocker |
bisoprolol, fumarate (1:1) salt | [no description available] | medium | 2 | 0 | | |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate hydrochloride | [no description available] | medium | 1 | 0 | | |
ro 8-4304 | [no description available] | medium | 1 | 0 | | |
sb 203186 | [no description available] | medium | 1 | 0 | | |
2-hydroxyapomorphine, (r)-isomer | [no description available] | medium | 1 | 0 | | |
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide | [no description available] | medium | 1 | 0 | hydrobromide | dopamine agonist; prodrug |
histamine | [no description available] | high | 21 | 1 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
histamine | [no description available] | high | 21 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
putrescine | [no description available] | high | 17 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
spermidine | [no description available] | medium | 10 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
spermine | [no description available] | high | 12 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
cholesterol alpha-oxide | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; epoxy steroid; oxysterol | |
docosahexaenoate | [no description available] | medium | 2 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
acetic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
adenine | [no description available] | high | 13 | 1 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adenine | [no description available] | high | 13 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allantoin | [no description available] | high | 2 | 1 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
allantoin | [no description available] | high | 2 | 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] | high | 7 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
citric acid, anhydrous | [no description available] | medium | 4 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
citric acid, anhydrous | [no description available] | medium | 4 | 1 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
creatine | [no description available] | high | 5 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
lactic acid | [no description available] | medium | 36 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
lactic acid | [no description available] | medium | 36 | 1 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
formaldehyde | [no description available] | medium | 5 | 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 | 24 | 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] | high | 20 | 2 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
glycerol | [no description available] | high | 20 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
inositol | [no description available] | medium | 13 | 0 | cyclitol; hexol | |
niacinamide | [no description available] | high | 34 | 2 | 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 |
niacinamide | [no description available] | high | 34 | 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 | 9 | 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 |
niacin | [no description available] | medium | 9 | 1 | 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 | 2 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
phenylacetic acid | [no description available] | medium | 9 | 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] | high | 2 | 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] | high | 12 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | high | 5 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
uracil | [no description available] | high | 4 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
urea | [no description available] | high | 20 | 2 | 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] | high | 20 | 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 |
albendazole | [no description available] | medium | 6 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
alfuzosin | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; quinazolines; tetrahydrofuranol | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
ambroxol | [no description available] | medium | 1 | 0 | aromatic amine | |
pimagedine | [no description available] | medium | 4 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
amsacrine | [no description available] | high | 13 | 2 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
amsacrine | [no description available] | high | 13 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
anthralin | [no description available] | medium | 23 | 0 | anthracenes | antipsoriatic |
anthralin | [no description available] | medium | 23 | 3 | anthracenes | antipsoriatic |
barbital | [no description available] | medium | 1 | 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 | 8 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bay h 4502 | [no description available] | medium | 4 | 0 | biphenyls; imidazoles | |
bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea; organobromine compound | |
bupivacaine | [no description available] | medium | 3 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
butalbital | [no description available] | medium | 1 | 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 |
chloral hydrate | [no description available] | medium | 2 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
chloroxylenol | [no description available] | medium | 2 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
clioquinol | [no description available] | medium | 3 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
clomiphene | [no description available] | medium | 5 | 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 |
deferoxamine | [no description available] | medium | 9 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
amphetamine | [no description available] | medium | 4 | 0 | primary amine | |
eflornithine | [no description available] | medium | 36 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
eflornithine | [no description available] | medium | 36 | 1 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
ddt | [no description available] | medium | 4 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
ethoxzolamide | [no description available] | medium | 2 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
flufenamic acid | [no description available] | medium | 6 | 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 | 9 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
glafenine | [no description available] | medium | 6 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
gliclazide | [no description available] | medium | 5 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
glutethimide | [no description available] | medium | 3 | 0 | piperidines | |
gossypol | [no description available] | medium | 3 | 0 | | |
guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
fasudil | [no description available] | medium | 2 | 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 | 5 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
miltefosine | [no description available] | medium | 3 | 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 | |
alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
idebenone | [no description available] | medium | 2 | 0 | 1,4-benzoquinones; primary alcohol | antioxidant; ferroptosis inhibitor |
iodipamide | [no description available] | medium | 1 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
iproniazid | [no description available] | medium | 7 | 0 | carbohydrazide; pyridines | |
avapro | [no description available] | medium | 5 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
2-propanol | [no description available] | medium | 3 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
isoxsuprine | [no description available] | medium | 3 | 0 | alkylbenzene | |
ketanserin | [no description available] | medium | 2 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
khellin | [no description available] | medium | 18 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
lomustine | [no description available] | high | 8 | 1 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
lomustine | [no description available] | high | 8 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
loperamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
malathion | [no description available] | medium | 1 | 0 | diester; ethyl ester; organic thiophosphate | |
diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
meclizine | [no description available] | medium | 3 | 0 | diarylmethane | |
meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
vitamin k 3 | [no description available] | high | 9 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
mephenytoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | anticonvulsant |
mepivacaine | [no description available] | medium | 3 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
meprobamate | [no description available] | medium | 4 | 0 | organic molecular entity | |
methoxyflurane | [no description available] | medium | 1 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
methyl salicylate | [no description available] | medium | 5 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methyl salicylate | [no description available] | medium | 5 | 1 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methylphenidate | [no description available] | medium | 4 | 0 | beta-amino acid ester; methyl ester; piperidines | |
methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
metyrapone | [no description available] | medium | 6 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
miconazole | [no description available] | medium | 11 | 0 | dichlorobenzene; ether; imidazoles | |
miconazole | [no description available] | medium | 11 | 1 | dichlorobenzene; ether; imidazoles | |
modafinil | [no description available] | medium | 5 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 2 | 0 | monoterpenoid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
nalidixic acid | [no description available] | medium | 7 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
nitroglycerin | [no description available] | medium | 5 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
orphenadrine | [no description available] | medium | 4 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxamniquine | [no description available] | medium | 1 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound | |
oxethazaine | [no description available] | medium | 2 | 0 | amino acid amide | |
oxybenzone | [no description available] | medium | 2 | 0 | hydroxybenzophenone; monomethoxybenzene | dermatologic drug; environmental contaminant; protective agent; ultraviolet filter; xenobiotic |
pantoprazole | [no description available] | medium | 4 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
pentobarbital | [no description available] | medium | 3 | 0 | barbiturates | GABAA receptor agonist |
perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacetin | [no description available] | medium | 4 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenoxybenzamine | [no description available] | medium | 3 | 0 | aromatic amine | |
moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
pipemidic acid | [no description available] | medium | 2 | 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 |
pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
pyrimethamine | [no description available] | medium | 6 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
opc 12759 | [no description available] | medium | 2 | 0 | secondary carboxamide | |
sibutramine | [no description available] | medium | 2 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector; neuroprotective agent; orphan drug; prodrug |
vorinostat | [no description available] | high | 14 | 1 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
vorinostat | [no description available] | high | 14 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulfamerazine | [no description available] | medium | 3 | 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 |
sulfamethazine | [no description available] | medium | 3 | 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 |
sulfamethizole | [no description available] | medium | 6 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfanilamide | [no description available] | medium | 4 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
sulfapyridine | [no description available] | medium | 2 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 2 | 0 | alkylbenzene | |
suramin | [no description available] | high | 8 | 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 | 5 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
tegafur | [no description available] | medium | 2 | 0 | organohalogen compound; pyrimidines | |
temozolomide | [no description available] | high | 13 | 2 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
temozolomide | [no description available] | high | 13 | 0 | imidazotetrazine; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; prodrug |
tetracaine | [no description available] | medium | 2 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
thiabendazole | [no description available] | medium | 4 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
tranexamic acid | [no description available] | medium | 11 | 0 | amino acid | |
tranexamic acid | [no description available] | medium | 11 | 2 | amino acid | |
triclosan | [no description available] | medium | 2 | 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 |
vesnarinone | [no description available] | medium | 2 | 0 | organic molecular entity | |
guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound; organic chloride salt | protein denaturant |
hydrocortisone acetate | [no description available] | medium | 3 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
mitomycin | [no description available] | high | 20 | 3 | mitomycin | alkylating agent; antineoplastic agent |
mitomycin | [no description available] | high | 20 | 0 | mitomycin | alkylating agent; antineoplastic agent |
cephaloridine | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
phentolamine | [no description available] | medium | 6 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
sorbitol | [no description available] | high | 5 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
piperonyl butoxide | [no description available] | medium | 2 | 0 | benzodioxoles | pesticide synergist |
bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue; pyrimidines | mutagen |
3,3',5-triiodothyroacetic acid | [no description available] | medium | 2 | 0 | | |
dextroamphetamine | [no description available] | medium | 2 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
norethindrone acetate | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; acetate ester; terminal acetylenic compound | progestin; synthetic oral contraceptive |
cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichlorfon | [no description available] | medium | 2 | 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 |
oxandrolone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
penicillin g | [no description available] | medium | 8 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
cetrimonium bromide | [no description available] | medium | 2 | 0 | organic bromide salt; quaternary ammonium salt | detergent; surfactant |
sucrose | [no description available] | high | 2 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
aminopyrine | [no description available] | medium | 2 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
methyltestosterone | [no description available] | high | 4 | 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 | |
cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
uridine | [no description available] | high | 10 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
kanamycin a | [no description available] | medium | 4 | 0 | kanamycins | bacterial metabolite |
niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound | |
carbaryl | [no description available] | medium | 2 | 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 | 4 | 0 | lactose | |
methionine | [no description available] | high | 28 | 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 | |
benziodarone | [no description available] | medium | 2 | 0 | aromatic ketone | |
mannitol | [no description available] | medium | 5 | 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 |
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 |
trichloroacetic acid | [no description available] | medium | 16 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
trichloroacetic acid | [no description available] | medium | 16 | 4 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
triamcinolone acetonide | [no description available] | medium | 22 | 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 |
triamcinolone acetonide | [no description available] | medium | 22 | 5 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
butobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
trichloroethylene | [no description available] | medium | 5 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
dehydrocholic acid | [no description available] | medium | 2 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
isosorbide dinitrate | [no description available] | medium | 4 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
benzoyl peroxide | [no description available] | medium | 144 | 0 | carbonyl compound | |
benzoyl peroxide | [no description available] | medium | 144 | 28 | carbonyl compound | |
furan | [no description available] | medium | 1 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
ergotamine | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
phenformin | [no description available] | medium | 3 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
mephobarbital | [no description available] | medium | 3 | 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 | 9 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
meglumine | [no description available] | medium | 2 | 0 | hexosamine; secondary amino compound | |
cinchophen | [no description available] | medium | 6 | 0 | quinolines | |
yohimbine | [no description available] | medium | 2 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
quinestrol | [no description available] | medium | 4 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
ephedrine | [no description available] | medium | 2 | 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 | 4 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
carbutamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
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 |
glycyrrhetinic acid | [no description available] | medium | 4 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
dihydralazine | [no description available] | medium | 2 | 0 | phthalazines | |
phenylpropanolamine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | plant metabolite |
dihydroergotamine | [no description available] | medium | 2 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
hesperidin | [no description available] | medium | 2 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
methamphetamine | [no description available] | medium | 5 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
gentian violet | [no description available] | medium | 3 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
hematoporphyrin | [no description available] | medium | 5 | 0 | | |
lactulose | [no description available] | medium | 2 | 0 | glycosylfructose | gastrointestinal drug; laxative |
erythromycin stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
vancomycin | [no description available] | medium | 5 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
sulfadoxine | [no description available] | medium | 3 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acadesine | [no description available] | medium | 3 | 0 | 1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue | antineoplastic agent; platelet aggregation inhibitor |
iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
streptomycin | [no description available] | medium | 4 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether; isoquinolines; pyridoisoquinoline | antileishmanial agent; antimalarial; antiprotozoal drug |
benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
trimetazidine | [no description available] | medium | 1 | 0 | aromatic amine | |
floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
stanozolol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol | anabolic agent; androgen |
xipamide | [no description available] | medium | 1 | 0 | benzamides | |
thiamphenicol | [no description available] | medium | 2 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
pizotyline | [no description available] | medium | 1 | 0 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
carbimazole | [no description available] | medium | 3 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
oxyphenisatin | [no description available] | medium | 2 | 0 | indoles | |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
butachlor | [no description available] | medium | 1 | 0 | aromatic amide; organochlorine compound; tertiary carboxamide | environmental contaminant; herbicide; xenobiotic |
rose bengal b disodium salt | [no description available] | medium | 2 | 0 | | |
glutamic acid | [no description available] | medium | 31 | 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 | 4 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
amineptin | [no description available] | medium | 2 | 0 | amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound | antidepressant; dopamine uptake inhibitor |
pirprofen | [no description available] | medium | 5 | 0 | pyrroline | |
amikacin | [no description available] | medium | 6 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
ticrynafen | [no description available] | medium | 5 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes | antihypertensive agent; hepatotoxic agent; loop diuretic |
bezafibrate | [no description available] | medium | 10 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
epirubicin | [no description available] | high | 10 | 1 | 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 |
epirubicin | [no description available] | high | 10 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
foscarnet sodium | [no description available] | medium | 2 | 0 | one-carbon compound; organic sodium salt | antiviral drug |
moxalactam | [no description available] | medium | 1 | 0 | cephalosporin; oxacephem | antibacterial drug |
nicorandil | [no description available] | medium | 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 |
piritrexim | [no description available] | medium | 1 | 0 | | |
atomoxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
clopidogrel | [no description available] | medium | 2 | 0 | methyl ester; monochlorobenzenes; thienopyridine | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
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] | high | 3 | 0 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
halofuginone | [no description available] | medium | 1 | 0 | quinazolines | |
ortho-cept | [no description available] | medium | 1 | 0 | | |
efavirenz | [no description available] | medium | 4 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nelfinavir | [no description available] | medium | 3 | 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 | 2 | 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 | 3 | 0 | carbamate ester; sulfonamide; tetrahydrofuryl ester | antiviral drug; HIV protease inhibitor |
glutathione disulfide | [no description available] | medium | 6 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
bendamustine | [no description available] | medium | 2 | 0 | benzimidazoles | |
erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
telmisartan | [no description available] | medium | 7 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
picosulfate sodium | [no description available] | medium | 1 | 0 | aryl sulfate; pyridines | |
dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; aliphatic nitrile; steroid hormone | progesterone receptor agonist; progestin; synthetic oral contraceptive |
morphazinamide | [no description available] | medium | 1 | 0 | morpholines; pyrazines; secondary carboxamide | |
voriconazole | [no description available] | medium | 7 | 0 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
voriconazole | [no description available] | medium | 7 | 1 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
clevudine | [no description available] | medium | 1 | 0 | | |
tetrandrine | [no description available] | medium | 4 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
lopinavir | [no description available] | medium | 3 | 0 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
lopinavir | [no description available] | medium | 3 | 1 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
sr141716 | [no description available] | medium | 4 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
bosentan anhydrous | [no description available] | medium | 7 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion; selenomethionine | plant metabolite |
perindopril | [no description available] | medium | 2 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
fingolimod | [no description available] | medium | 1 | 0 | aminodiol; primary amino compound | antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound | alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite |
nitisinone | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; secondary carboxamide | antineoplastic agent; matrix metalloproteinase inhibitor |
clofarabine | [no description available] | high | 5 | 0 | adenosines; organofluorine compound | antimetabolite; antineoplastic agent |
mitiglinide | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
imatinib mesylate | [no description available] | high | 37 | 1 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
imatinib mesylate | [no description available] | high | 37 | 0 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
gefitinib | [no description available] | high | 9 | 1 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
gefitinib | [no description available] | high | 9 | 0 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
antiprimod | [no description available] | medium | 2 | 0 | | |
sulbactam | [no description available] | medium | 2 | 0 | penicillanic acids | |
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 | | |
tezosentan | [no description available] | medium | 1 | 0 | | |
moxifloxacin | [no description available] | medium | 3 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
jtt 501 | [no description available] | medium | 1 | 0 | | |
paromomycin | [no description available] | medium | 3 | 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] | high | 12 | 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 | 7 | 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 | 2 | 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] | high | 12 | 3 | alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol | anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor |
homoharringtonine | [no description available] | high | 12 | 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] | high | 3 | 0 | carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide | angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist |
bortezomib | [no description available] | high | 16 | 0 | amino acid amide; L-phenylalanine derivative; pyrazines | antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor |
nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
glucosamine | [no description available] | medium | 18 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
digitoxin | [no description available] | medium | 5 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
erythromycin estolate | [no description available] | medium | 3 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
devazepide | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
tolterodine | [no description available] | medium | 2 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
doxorubicin hydrochloride | [no description available] | medium | 4 | 0 | anthracycline | |
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 | |
tacrolimus | [no description available] | medium | 16 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
cocaine | [no description available] | medium | 7 | 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 |
cocaine | [no description available] | medium | 7 | 1 | 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 |
eicosapentaenoic acid | [no description available] | high | 7 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
clindamycin | [no description available] | medium | 84 | 0 | | |
clindamycin | [no description available] | medium | 84 | 27 | | |
drf 2725 | [no description available] | medium | 3 | 0 | | |
decitabine | [no description available] | medium | 55 | 0 | 2'-deoxyribonucleoside | |
decitabine | [no description available] | medium | 55 | 4 | 2'-deoxyribonucleoside | |
tiazofurin | [no description available] | medium | 10 | 0 | 1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide | antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug |
tenofovir | [no description available] | medium | 2 | 0 | nucleoside analogue; phosphonic acids | antiviral drug; drug metabolite; HIV-1 reverse transcriptase inhibitor |
rubitecan | [no description available] | medium | 2 | 0 | C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
micafungin | [no description available] | medium | 2 | 0 | antibiotic antifungal drug; echinocandin | antiinfective agent |
riboflavin | [no description available] | high | 9 | 4 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
riboflavin | [no description available] | high | 9 | 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 | 4 | 0 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite |
dipyrone | [no description available] | medium | 1 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
carbenoxolone | [no description available] | medium | 1 | 0 | | |
discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
cannabidiol | [no description available] | medium | 2 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
prothionamide | [no description available] | medium | 2 | 0 | pyridines | |
methimazole | [no description available] | medium | 7 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
capsaicin | [no description available] | medium | 8 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug; food preservative |
digoxin | [no description available] | medium | 11 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
fusidic acid | [no description available] | medium | 4 | 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 | 2 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
hmr 3647 | [no description available] | medium | 5 | 0 | | |
telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole; cyclopropanes; oligopeptide; pyrazines | antiviral drug; hepatitis C protease inhibitor; peptidomimetic |
droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
or 1259 | [no description available] | medium | 1 | 0 | hydrazone; nitrile; pyridazinone | anti-arrhythmia drug; cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; vasodilator agent |
gestodene | [no description available] | medium | 2 | 0 | steroid | estrogen |
orlistat | [no description available] | medium | 4 | 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 | 3 | 0 | | |
chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
tolcapone | [no description available] | medium | 6 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
dinoprostone | [no description available] | high | 93 | 1 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprostone | [no description available] | high | 93 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprost | [no description available] | high | 11 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
clavulanic acid | [no description available] | medium | 2 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
oxymetholone | [no description available] | medium | 3 | 0 | | |
montelukast | [no description available] | medium | 6 | 0 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
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 |
entacapone | [no description available] | medium | 5 | 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 |
diosmin | [no description available] | medium | 2 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester; quinic acid | plant metabolite |
sdz psc 833 | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | |
coenzyme q10 | [no description available] | medium | 2 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
pitavastatin | [no description available] | medium | 4 | 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 |
dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
levetiracetam | [no description available] | medium | 5 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
alvocidib | [no description available] | medium | 3 | 0 | dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
seocalcitol | [no description available] | medium | 11 | 0 | | |
demycarosylturimycin h | [no description available] | medium | 2 | 0 | | |
iloprost | [no description available] | medium | 3 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
furazolidone | [no description available] | medium | 4 | 0 | | |
orantinib | [no description available] | medium | 1 | 0 | | |
dextromethorphan | [no description available] | medium | 3 | 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 |
nitrofurazone | [no description available] | medium | 1 | 0 | | |
bleomycin | [no description available] | medium | 3 | 0 | bleomycin | antineoplastic agent; metabolite |
enalaprilat anhydrous | [no description available] | medium | 5 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ximelagatran | [no description available] | medium | 3 | 0 | amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor |
proguanil | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
rifamycin sv | [no description available] | medium | 1 | 0 | acetate ester; cyclic ketal; lactam; macrocycle; organic heterotetracyclic compound; polyphenol; rifamycins | antimicrobial agent; antitubercular agent; bacterial metabolite |
epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
ixabepilone | [no description available] | medium | 2 | 0 | 1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle | antineoplastic agent; microtubule-destabilising agent |
azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial drug |
roxithromycin | [no description available] | medium | 2 | 0 | roxithromycin | environmental contaminant; xenobiotic |
beraprost | [no description available] | medium | 1 | 0 | enyne; monocarboxylic acid; organic heterotricyclic compound; secondary alcohol; secondary allylic alcohol | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
lanreotide | [no description available] | medium | 1 | 0 | | |
lu 208075 | [no description available] | medium | 2 | 0 | diarylmethane | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
eflucimibe | [no description available] | medium | 1 | 0 | | |
etomoxir | [no description available] | medium | 2 | 0 | aromatic ether | |
pentagastrin | [no description available] | medium | 2 | 0 | organic molecular entity | |
gentamicin sulfate | [no description available] | medium | 3 | 0 | | |
azd 6244 | [no description available] | medium | 2 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
vinflunine | [no description available] | medium | 1 | 0 | acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid | antineoplastic agent |
baci-im | [no description available] | medium | 4 | 0 | homodetic cyclic peptide; polypeptide; zwitterion | antibacterial agent; antimicrobial agent |
pf 03491390 | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 2 | 0 | | |
tannins | [no description available] | medium | 2 | 0 | tannin | |
cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt; statin (synthetic) | |
monensin | [no description available] | medium | 2 | 0 | | |
oxacillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
sodium diatrizoate | [no description available] | medium | 2 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
chlortetracycline | [no description available] | medium | 2 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 6 | 0 | | |
oxytetracycline, anhydrous | [no description available] | medium | 6 | 1 | | |
dicumarol | [no description available] | medium | 4 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
acenocoumarol | [no description available] | medium | 4 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 5 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
phenprocoumon | [no description available] | medium | 2 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
rolitetracycline | [no description available] | medium | 2 | 0 | | |
lornoxicam | [no description available] | medium | 2 | 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 | 4 | 0 | 2-aminopurines; oxopurine; primary alcohol; secondary alcohol | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
inosine | [no description available] | high | 3 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
folic acid | [no description available] | high | 44 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
dacarbazine | [no description available] | medium | 18 | 0 | dacarbazine | |
dacarbazine | [no description available] | medium | 18 | 2 | dacarbazine | |
oxypurinol | [no description available] | medium | 3 | 0 | pyrazolopyrimidine | drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor |
raltitrexed | [no description available] | medium | 3 | 0 | N-acyl-amino acid | |
leucovorin | [no description available] | medium | 3 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
alanosine | [no description available] | medium | 1 | 0 | | |
tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine; benzotriazines; N-oxide | antibacterial agent; antineoplastic agent; apoptosis inducer |
antipyrine | [no description available] | medium | 4 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
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 |
sulforaphane | [no description available] | medium | 5 | 0 | isothiocyanate; sulfoxide | antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
leucine | [no description available] | high | 23 | 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 |
phenylalanine | [no description available] | medium | 10 | 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 | |
lincomycin | [no description available] | medium | 3 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
isoxicam | [no description available] | medium | 4 | 0 | benzothiazine; isoxazoles; monocarboxylic acid amide | antirheumatic drug; non-steroidal anti-inflammatory drug |
stearic acid | [no description available] | medium | 4 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
entinostat | [no description available] | medium | 11 | 0 | benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
largazole | [no description available] | medium | 1 | 0 | | |
ethylene dichloride | [no description available] | medium | 2 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
ethylene glycol | [no description available] | medium | 2 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
hexachlorocyclohexane | [no description available] | medium | 2 | 0 | chlorocyclohexane | |
2,4-dinitrophenol | [no description available] | medium | 5 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
3-methylcholanthrene | [no description available] | medium | 27 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
bithionol | [no description available] | medium | 3 | 0 | aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol | antifungal agrochemical; antiplatyhelmintic drug |
candesartan | [no description available] | medium | 6 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
cromolyn | [no description available] | medium | 4 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
diethylcarbamazine | [no description available] | medium | 2 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
dimercaprol | [no description available] | medium | 4 | 0 | dithiol; primary alcohol | chelator |
donepezil | [no description available] | medium | 8 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 3 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
fipexide | [no description available] | medium | 3 | 0 | benzodioxoles | |
hycanthone | [no description available] | medium | 5 | 0 | thioxanthenes | mutagen; schistosomicide drug |
isocarboxazid | [no description available] | medium | 3 | 0 | benzenes | |
memantine | [no description available] | medium | 6 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
memantine | [no description available] | medium | 6 | 1 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
methapyrilene | [no description available] | medium | 3 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
nomifensine | [no description available] | medium | 4 | 0 | isoquinolines | dopamine uptake inhibitor |
oxibendazole | [no description available] | medium | 3 | 0 | benzimidazoles; carbamate ester | |
4-dichlorobenzene | [no description available] | medium | 3 | 0 | dichlorobenzene | insecticide |
pargyline | [no description available] | medium | 3 | 0 | aromatic amine | |
perhexiline | [no description available] | medium | 5 | 0 | piperidines | cardiovascular drug |
sulfabenzamide | [no description available] | medium | 3 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
pirinixic acid | [no description available] | medium | 24 | 0 | aryl sulfide; organochlorine compound; pyrimidines | |
oxyphenonium | [no description available] | medium | 2 | 0 | acylcholine | |
2-acetylaminofluorene | [no description available] | medium | 5 | 0 | 2-acetamidofluorenes | antimitotic; carcinogenic agent; epitope; mutagen |
idoxuridine | [no description available] | medium | 6 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
carbon tetrachloride | [no description available] | medium | 10 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
acetylcholine chloride | [no description available] | medium | 4 | 0 | quaternary ammonium salt | |
dimethylnitrosamine | [no description available] | medium | 9 | 0 | nitrosamine | geroprotector; mutagen |
primaquine phosphate | [no description available] | medium | 2 | 0 | | |
uracil mustard | [no description available] | medium | 2 | 0 | aminouracil; nitrogen mustard | |
chloroform | [no description available] | medium | 3 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
dimethylformamide | [no description available] | medium | 34 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
tromethamine | [no description available] | medium | 4 | 0 | primary amino compound; triol | buffer |
hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
phenothiazine | [no description available] | medium | 3 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
2-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | marine metabolite |
3-dinitrobenzene | [no description available] | medium | 1 | 0 | dinitrobenzene | neurotoxin |
4,4'-diaminodiphenylmethane | [no description available] | medium | 3 | 0 | aromatic amine | allergen; carcinogenic agent |
phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen; reagent |
4-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
2-bromoethylamine | [no description available] | medium | 2 | 0 | | |
allyl alcohol | [no description available] | medium | 2 | 0 | primary allylic alcohol; propenol | antibacterial agent; fungicide; herbicide; insecticide; plant metabolite |
bromobenzene | [no description available] | medium | 2 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
di-n-pentyl phthalate | [no description available] | medium | 3 | 0 | diester; phthalate ester | plasticiser |
phenazopyridine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tripelennamine hydrochloride | [no description available] | medium | 3 | 0 | | |
ethynodiol diacetate | [no description available] | medium | 2 | 0 | steroid ester; terminal acetylenic compound | contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive |
hydrazine | [no description available] | medium | 6 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
monocrotaline | [no description available] | medium | 6 | 0 | pyrrolizidine alkaloid | |
pseudoephedrine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | plant metabolite |
procarbazine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | antineoplastic agent |
1-naphthylisothiocyanate | [no description available] | medium | 4 | 0 | isothiocyanate | insecticide |
isoxsuprine hydrochloride | [no description available] | medium | 3 | 0 | alkylbenzene | |
3-hydroxyacetanilide | [no description available] | medium | 2 | 0 | acetamides; phenols | non-narcotic analgesic |
methoxyacetic acid | [no description available] | medium | 3 | 0 | ether; monocarboxylic acid | antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen |
pregnenolone carbonitrile | [no description available] | medium | 3 | 0 | aliphatic nitrile | |
ibufenac | [no description available] | medium | 3 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2,3,7,8-tetrachlorodibenzodioxine | [no description available] | medium | 1 | 0 | polychlorinated dibenzodioxine | |
paraquat | [no description available] | medium | 5 | 0 | organic cation | geroprotector; herbicide |
ethylene dimethanesulfonate | [no description available] | medium | 2 | 0 | | |
beclomethasone dipropionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester | anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug |
carbendazim | [no description available] | medium | 2 | 0 | benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent |
ethionine | [no description available] | medium | 2 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
moricizine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-arrhythmia drug |
serentil | [no description available] | medium | 2 | 0 | organosulfonate salt | dopaminergic antagonist; first generation antipsychotic |
nonachlazine | [no description available] | medium | 1 | 0 | | |
indacrinone | [no description available] | medium | 2 | 0 | | |
butoconazole nitrate | [no description available] | medium | 2 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
fialuridine | [no description available] | medium | 3 | 0 | | |
mitoxantrone hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antineoplastic agent |
bambuterol | [no description available] | medium | 2 | 0 | carbamate ester; phenylethanolamines | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent |
alpidem | [no description available] | medium | 5 | 0 | imidazoles | |
temafloxacin | [no description available] | medium | 2 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound | |
clinafloxacin | [no description available] | medium | 2 | 0 | quinolines | |
tasosartan | [no description available] | medium | 3 | 0 | biphenyls | |
saquinavir monomethanesulfonate | [no description available] | medium | 2 | 0 | organic molecular entity | |
allyl formate | [no description available] | medium | 2 | 0 | | |
desferrioxamine b mesylate | [no description available] | medium | 2 | 0 | methanesulfonate salt | antidote; ferroptosis inhibitor; iron chelator |
trovafloxacin | [no description available] | medium | 3 | 0 | | |
ciprofloxacin hydrochloride anhydrous | [no description available] | medium | 2 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 3 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
trimethobenzamide monohydrochloride | [no description available] | medium | 2 | 0 | | |
econazole nitrate | [no description available] | medium | 3 | 0 | | |
flunoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; monocarboxylic acid; organofluorine compound | antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist |
tianeptine | [no description available] | medium | 2 | 0 | dibenzothiazepine; monocarboxylic acid; organochlorine compound | |
grepafloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
2-naphthylisothiocyanate | [no description available] | medium | 2 | 0 | | |
orphenadrine citrate | [no description available] | medium | 2 | 0 | citrate salt | H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
n-(3,5-dichlorophenyl)succinimide | [no description available] | medium | 2 | 0 | pyrrolidines | |
1-cyano-2-hydroxy-3-butene | [no description available] | medium | 1 | 0 | secondary alcohol | |
dilevalol | [no description available] | medium | 1 | 0 | 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide | |
aflatoxin b1 | [no description available] | high | 4 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; human metabolite |
fludrocortisone acetate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone | |
acivicin | [no description available] | medium | 4 | 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 |
puromycin | [no description available] | high | 9 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
(+)-limonene | [no description available] | medium | 2 | 0 | limonene | plant metabolite |
moxalactam disodium | [no description available] | medium | 2 | 0 | | |
abacavir | [no description available] | medium | 4 | 0 | 2,6-diaminopurines | antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor |
mometasone furoate | [no description available] | medium | 5 | 0 | 11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester | anti-allergic agent; anti-inflammatory drug |
kanamycin sulfate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt | antibacterial drug; geroprotector |
chloramphenicol palmitate | [no description available] | medium | 2 | 0 | hexadecanoate ester | |
calcium pantothenate | [no description available] | medium | 2 | 0 | polymer | |
maleic acid | [no description available] | medium | 2 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
cyanoginosin lr | [no description available] | medium | 2 | 0 | microcystin | bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic |
azaserine | [no description available] | high | 4 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
arsenic trioxide | [no description available] | medium | 4 | 0 | arsenic oxide | antineoplastic agent; insecticide |
idarubicin hydrochloride | [no description available] | medium | 2 | 0 | anthracycline | |
carbenoxolone sodium | [no description available] | medium | 7 | 0 | triterpenoid | |
thioacetamide | [no description available] | medium | 4 | 0 | thiocarboxamide | hepatotoxic agent |
eprosartan | [no description available] | medium | 4 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
estradiol-17 beta-glucuronide | [no description available] | medium | 2 | 0 | 3-hydroxy steroid; steroid glucosiduronic acid | |
octylmethoxycinnamate | [no description available] | medium | 2 | 0 | cinnamate ester | |
trientine hydrochloride | [no description available] | medium | 3 | 0 | | |
enclomiphene citrate | [no description available] | medium | 1 | 0 | | |
diphenoxylate hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidiarrhoeal drug |
ergonovine maleate | [no description available] | medium | 2 | 0 | maleate salt | diagnostic agent; oxytocic |
ursodoxicoltaurine | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
molindone hydrochloride | [no description available] | medium | 2 | 0 | indoles | |
cytidine diphosphate choline | [no description available] | medium | 2 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
clindamycin hydrochloride | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
cefotiam hydrochloride | [no description available] | medium | 2 | 0 | | |
potassium aminobenzoate | [no description available] | medium | 2 | 0 | | |
methicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
nafcillin sodium | [no description available] | medium | 3 | 0 | organic sodium salt | |
penicillin g sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 3 | 0 | organic sodium salt | antibacterial drug |
dicloxacillin sodium | [no description available] | medium | 2 | 0 | hydrate | |
azlocillin sodium | [no description available] | medium | 3 | 0 | organic sodium salt | |
chlortetracycline hydrochloride | [no description available] | medium | 2 | 0 | | |
methacycline monohydrochloride | [no description available] | medium | 2 | 0 | | |
citrovorum factor | [no description available] | medium | 4 | 0 | tetrahydrofolic acid | |
sulfobromophthalein | [no description available] | medium | 2 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
telenzepine | [no description available] | medium | 2 | 0 | benzodiazepine | |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
n-pentanoic acid | [no description available] | medium | 2 | 0 | short-chain fatty acid; straight-chain saturated fatty acid | plant metabolite |
tolrestat | [no description available] | medium | 4 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
cox 189 | [no description available] | medium | 3 | 0 | amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
olmesartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
lapatinib | [no description available] | high | 6 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
taurolithocholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human metabolite |
indinavir sulfate | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt | |
ampicillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
sudoxicam | [no description available] | medium | 1 | 0 | | |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 3 | 0 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
3,4-dihydroxyphenylpropionic acid | [no description available] | medium | 1 | 0 | (dihydroxyphenyl)propanoic acid | antioxidant; human xenobiotic metabolite |
3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
kukoamine a | [no description available] | medium | 1 | 0 | amine | |
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 |
(-)-n-((2s,3r)-3-amino-2-hydroxy-4-phenyl-butyryl)-l-leucine methyl ester | [no description available] | medium | 1 | 0 | | |
cepharanthine | [no description available] | medium | 2 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
laudanosine | [no description available] | medium | 1 | 0 | isoquinolines | |
fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle | anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite |
berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
obamegine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
oxyacanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound | |
guaifenesin | [no description available] | medium | 8 | 0 | methoxybenzenes | |
mecamylamine | [no description available] | medium | 2 | 0 | primary aliphatic amine | |
methocarbamol | [no description available] | medium | 4 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
oxybutynin | [no description available] | medium | 6 | 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 | 6 | 1 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
phentermine | [no description available] | medium | 2 | 0 | primary amine | adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent |
pyridostigmine | [no description available] | medium | 2 | 0 | pyridinium ion | |
risedronic acid | [no description available] | medium | 2 | 0 | pyridines | |
metaraminol | [no description available] | medium | 2 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
zoxazolamine | [no description available] | medium | 2 | 0 | benzoxazole | |
phendimetrazine | [no description available] | medium | 1 | 0 | | |
remoxipride | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
hyoscyamine | [no description available] | medium | 3 | 0 | tropane alkaloid | |
menthofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; monoterpenoid | nematicide; plant metabolite |
leuprolide | [no description available] | medium | 1 | 0 | oligopeptide | anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist |
ipratropium | [no description available] | medium | 1 | 0 | | |
cyproterone | [no description available] | medium | 9 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
cyproterone | [no description available] | medium | 9 | 1 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
hydrocodone | [no description available] | medium | 1 | 0 | morphinane-like compound; organic heteropentacyclic compound | antitussive; mu-opioid receptor agonist; opioid analgesic |
nateglinide | [no description available] | medium | 3 | 0 | phenylalanine derivative | |
homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
guaiacol | [no description available] | medium | 2 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
acetarsol | [no description available] | medium | 2 | 0 | acetamides; anilide | |
ethacridine | [no description available] | medium | 1 | 0 | acridines | |
4-(acetylamino)benzeneacetic acid | [no description available] | medium | 1 | 0 | acetamides; anilide | |
adiphenine | [no description available] | medium | 1 | 0 | diarylmethane | |
aklomide | [no description available] | medium | 1 | 0 | carbonyl compound; organohalogen compound | |
p-aminohippuric acid | [no description available] | medium | 2 | 0 | N-acylglycine | Daphnia magna metabolite |
amodiaquine | [no description available] | medium | 3 | 0 | aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug |
amprolium | [no description available] | medium | 1 | 0 | pyridinium ion | coccidiostat |
antazoline | [no description available] | medium | 1 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
arecoline | [no description available] | medium | 2 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
bendroflumethiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzocaine | [no description available] | medium | 2 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
benzothiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzothiazide | [no description available] | medium | 3 | 1 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bethanechol | [no description available] | medium | 2 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
bisacodyl | [no description available] | medium | 4 | 0 | diarylmethane | |
bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
bromhexine | [no description available] | medium | 2 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
seratrodast | [no description available] | medium | 1 | 0 | organic molecular entity | |
butacaine | [no description available] | medium | 2 | 0 | benzoate ester | |
butamben | [no description available] | medium | 2 | 0 | amino acid ester; benzoate ester; primary amino compound; substituted aniline | local anaesthetic |
carbamylcholine | [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 |
aricine | [no description available] | medium | 1 | 0 | cinchona alkaloid | |
cloxyquin | [no description available] | medium | 1 | 0 | organochlorine compound; quinolines | |
debrisoquin | [no description available] | medium | 1 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
dibucaine | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
dichlorphenamide | [no description available] | medium | 2 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
dicyclomine | [no description available] | medium | 4 | 0 | carboxylic ester; tertiary amine | antispasmodic drug; muscarinic antagonist; parasympatholytic |
dilacor xr | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound | |
dimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | |
diphenylpyraline | [no description available] | medium | 1 | 0 | piperidines; tertiary amine | cholinergic antagonist; H1-receptor antagonist |
dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone; piperidines | topical anaesthetic |
dyphylline | [no description available] | medium | 3 | 0 | oxopurine; propane-1,2-diols | bronchodilator agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; muscle relaxant; vasodilator agent |
profenamine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
ethotoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant |
fenoldopam | [no description available] | medium | 2 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
guanethidine | [no description available] | medium | 2 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
hexoprenaline | [no description available] | medium | 1 | 0 | | |
hexamethylene bisacetamide | [no description available] | medium | 53 | 0 | acetamides | |
hydroflumethiazide | [no description available] | medium | 4 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
ly 171883 | [no description available] | medium | 2 | 0 | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
mephenesin | [no description available] | medium | 1 | 0 | aromatic ether; glycerol ether | |
benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 1 | 0 | benzoate ester | |
acecainide | [no description available] | medium | 3 | 0 | acetamides; benzamides | anti-arrhythmia drug |
nadolol | [no description available] | medium | 3 | 0 | tetralins | |
nafronyl | [no description available] | medium | 1 | 0 | naphthalenes | |
naftopidil | [no description available] | medium | 1 | 0 | piperazines | |
naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
neostigmine | [no description available] | medium | 2 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
nitromide | [no description available] | medium | 1 | 0 | | |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 2 | 0 | isoquinolines | |
nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
benoxinate | [no description available] | medium | 1 | 0 | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic |
papaverine | [no description available] | medium | 4 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | [no description available] | medium | 1 | 0 | pyrroloindole | |
piretanide | [no description available] | medium | 1 | 0 | aromatic ether | |
practolol | [no description available] | medium | 1 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
duodote | [no description available] | medium | 2 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
proadifen | [no description available] | medium | 3 | 0 | diarylmethane | |
procaine | [no description available] | medium | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
roxarsone | [no description available] | medium | 1 | 0 | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
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 |
spiperone | [no description available] | medium | 3 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
succinylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
sulfacetamide | [no description available] | medium | 5 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
tetrahydroxy-1,4-quinone | [no description available] | medium | 1 | 0 | hydroxybenzoquinone | keratolytic drug |
2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic |
tolazoline | [no description available] | medium | 1 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
tolnaftate | [no description available] | medium | 3 | 0 | monothiocarbamic ester | antifungal drug |
trapidil | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
trimebutine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
trimeprazine | [no description available] | medium | 1 | 0 | phenothiazines | |
trioxsalen | [no description available] | medium | 2 | 0 | psoralens | dermatologic drug; photosensitizing agent |
tulobuterol | [no description available] | medium | 1 | 0 | organochlorine compound | |
urethane | [no description available] | medium | 4 | 0 | carbamate ester | fungal metabolite; mutagen |
xylazine | [no description available] | medium | 2 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
xylometazoline | [no description available] | medium | 1 | 0 | alkylbenzene | |
ethopabate | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
cysteamine | [no description available] | high | 3 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
acepromazine | [no description available] | medium | 1 | 0 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
cloxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
mepenzolate bromide | [no description available] | medium | 1 | 0 | diarylmethane | |
pantothenic acid | [no description available] | medium | 2 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound; pyridazines; sulfonamide | antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
dimethisoquin | [no description available] | medium | 1 | 0 | isoquinolines | |
benzonatate | [no description available] | medium | 2 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
fluorometholone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
dimenhydrinate | [no description available] | medium | 3 | 0 | diarylmethane | |
4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
trimetozine | [no description available] | medium | 1 | 0 | morpholines | |
docosanol | [no description available] | medium | 1 | 0 | docosanol; long-chain primary fatty alcohol | antiviral drug; plant metabolite |
tetramethylpyrazine | [no description available] | medium | 2 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
flurandrenolone | [no description available] | medium | 4 | 0 | 21-hydroxy steroid | |
flumethasone | [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; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
(1S,2R)-tranylcypromine | [no description available] | medium | 2 | 0 | 2-phenylcyclopropan-1-amine | |
parbendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
fenclozic acid | [no description available] | medium | 2 | 0 | | |
capobenic acid | [no description available] | medium | 2 | 0 | benzamides | |
diftalone | [no description available] | medium | 1 | 0 | | |
carbidopa | [no description available] | medium | 3 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
indalpine | [no description available] | medium | 1 | 0 | indoles | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
talniflumate | [no description available] | medium | 2 | 0 | benzofurans | |
dazoxiben | [no description available] | medium | 1 | 0 | | |
dopexamine | [no description available] | medium | 1 | 0 | catecholamine | |
lonapalene | [no description available] | medium | 1 | 0 | naphthalenes; organochlorine compound | |
ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
sematilide | [no description available] | medium | 1 | 0 | | |
remacemide | [no description available] | medium | 1 | 0 | stilbenoid | |
paroxetine hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
proxicromil | [no description available] | medium | 1 | 0 | | |
torbafylline | [no description available] | medium | 1 | 0 | | |
enrofloxacin | [no description available] | medium | 2 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
mepindolol | [no description available] | medium | 1 | 0 | indoles | |
fpl 52791 | [no description available] | medium | 1 | 0 | | |
levcromakalim | [no description available] | medium | 2 | 0 | 1-benzopyran | |
hexylcaine hydrochloride | [no description available] | medium | 1 | 0 | | |
imipenem, anhydrous | [no description available] | medium | 2 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
sivelestat | [no description available] | medium | 2 | 0 | N-acylglycine; pivalate ester | |
fpl-52694 | [no description available] | medium | 1 | 0 | | |
ramatroban | [no description available] | medium | 1 | 0 | organic molecular entity | |
xaliproden | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine | serotonergic agonist |
n-isobutyrylcysteine | [no description available] | medium | 1 | 0 | | |
dexpanthenol | [no description available] | medium | 2 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
quilostigmine | [no description available] | medium | 1 | 0 | pyrroloindole | |
imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
aspartame | [no description available] | medium | 1 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
tempol | [no description available] | medium | 1 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
vatalanib | [no description available] | medium | 2 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
clevidipine | [no description available] | medium | 2 | 0 | dihydropyridine | |
lactitol | [no description available] | medium | 1 | 0 | glycosyl alditol | cathartic; excipient; laxative |
fpl 52757 | [no description available] | medium | 1 | 0 | | |
fpl 59257 | [no description available] | medium | 1 | 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 |
zeneca zd 6169 | [no description available] | medium | 1 | 0 | | |
sibenadet | [no description available] | medium | 1 | 0 | | |
latrepirdine | [no description available] | medium | 2 | 0 | methylpyridines; pyridoindole | geroprotector |
ramelteon | [no description available] | medium | 3 | 0 | indanes | |
sorafenib | [no description available] | high | 12 | 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 |
phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
salicin | [no description available] | medium | 2 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
linezolid | [no description available] | medium | 3 | 0 | acetamides; morpholines; organofluorine compound; oxazolidinone | antibacterial drug; protein synthesis inhibitor |
(S)-bicalutamide | [no description available] | medium | 1 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | |
halcinonide | [no description available] | medium | 1 | 0 | organic molecular entity | SMO receptor agonist |
metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
methylthiouracil | [no description available] | medium | 2 | 0 | pyrimidone | |
crotamiton | [no description available] | medium | 2 | 0 | | |
flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
scopolamine | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid | |
ranitidine | [no description available] | medium | 4 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
almokalant | [no description available] | medium | 1 | 0 | | |
vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
deracoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dasatinib | [no description available] | high | 11 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
2-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | |
rs-130830 | [no description available] | medium | 1 | 0 | | |
sitagliptin | [no description available] | medium | 3 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
vitamin k semiquinone radical | [no description available] | medium | 15 | 0 | | |
triprolidine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
homatropine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
ar c67085mx | [no description available] | medium | 1 | 0 | | |
desoximetasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
sb 223412 | [no description available] | medium | 1 | 0 | | |
su 11248 | [no description available] | high | 5 | 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 |
zimeldine | [no description available] | medium | 2 | 0 | styrenes | |
tiotropium | [no description available] | medium | 1 | 0 | | |
nw 1029 | [no description available] | medium | 1 | 0 | | |
ici d1542 | [no description available] | medium | 1 | 0 | | |
gavestinel | [no description available] | medium | 1 | 0 | | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 2 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
tipredane | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
bentiromide | [no description available] | medium | 1 | 0 | dipeptide | diagnostic agent; indicator; reagent |
gemifloxacin | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative; fluoroquinolone antibiotic; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; topoisomerase IV inhibitor |
utibapril | [no description available] | medium | 1 | 0 | | |
zd 9379 | [no description available] | medium | 1 | 0 | | |
ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
cangrelor | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound | P2Y12 receptor antagonist; platelet aggregation inhibitor |
sch 527123 | [no description available] | medium | 1 | 0 | | |
linaprazan | [no description available] | medium | 1 | 0 | | |
lecozotan | [no description available] | medium | 1 | 0 | | |
ar c155858 | [no description available] | medium | 1 | 0 | | |
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | medium | 1 | 0 | methoxybenzenes; substituted aniline | |
azd 7545 | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent |
clavulanate potassium | [no description available] | medium | 2 | 0 | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cytomel | [no description available] | medium | 1 | 0 | organic sodium salt | |
a 967079 | [no description available] | medium | 1 | 0 | | |
pht 427 | [no description available] | medium | 1 | 0 | | |
carbadox | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
fenobam | [no description available] | medium | 1 | 0 | ureas | |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
epibatidine | [no description available] | medium | 1 | 0 | alkaloid | |
aristolochic acid i | [no description available] | medium | 3 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
5-methoxypsoralen | [no description available] | medium | 1 | 0 | 5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens | hepatoprotective agent; plant metabolite |
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor |
3,3'-diindolylmethane | [no description available] | medium | 1 | 0 | indoles | antineoplastic agent; P450 inhibitor |
embelin | [no description available] | medium | 1 | 0 | dihydroxy-1,4-benzoquinones | antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite |
hypericin | [no description available] | medium | 2 | 0 | | |
indole-3-carbinol | [no description available] | medium | 2 | 0 | indolyl alcohol | antineoplastic agent; plant metabolite |
kinetin | [no description available] | medium | 2 | 0 | 6-aminopurines; furans | cytokinin; geroprotector |
lavendustin a | [no description available] | medium | 2 | 0 | aromatic amine | |
lavendustin b | [no description available] | medium | 1 | 0 | | |
myristicin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
sanguinarine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; benzophenanthridine alkaloid; botanical anti-fungal agent | |
streptonigrin | [no description available] | medium | 2 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
tetrahydropapaverine | [no description available] | medium | 1 | 0 | aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound | |
veratramine | [no description available] | medium | 1 | 0 | piperidine alkaloid | |
phlorhizin | [no description available] | high | 2 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
gliotoxin | [no description available] | medium | 1 | 0 | dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole | antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor |
tubercidin | [no description available] | high | 2 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
veratridine | [no description available] | medium | 1 | 0 | steroid | sodium channel modulator |
gibberellic acid | [no description available] | medium | 1 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
visnagin | [no description available] | medium | 1 | 0 | aromatic ether; furanochromone; polyketide | anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent |
skimmianine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
gramine | [no description available] | medium | 1 | 0 | aminoalkylindole; indole alkaloid; tertiary amino compound | antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist |
methylergonovine | [no description available] | medium | 2 | 0 | ergoline alkaloid | |
2,2'-methylenebis(4-methyl-6-tert-butylphenol) | [no description available] | medium | 1 | 0 | diarylmethane | |
indolebutyric acid | [no description available] | medium | 1 | 0 | indol-3-yl carboxylic acid | auxin; plant hormone; plant metabolite |
jervine | [no description available] | medium | 3 | 0 | piperidines | |
boldine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
indirubin | [no description available] | medium | 3 | 0 | | |
plumbagin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; dihydroxyanthraquinone | antineoplastic agent; plant metabolite |
osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; coumarins | metabolite |
cytisine | [no description available] | medium | 1 | 0 | alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound | nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite |
thymoquinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
oleanolic acid | [no description available] | medium | 10 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
azomycin | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
Berberine chloride (TN) | [no description available] | medium | 1 | 0 | organic molecular entity | |
vincamine | [no description available] | medium | 1 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
ecdysone | [no description available] | medium | 4 | 0 | 14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid | prohormone |
n-deacetyl-n-formylcolchicine | [no description available] | medium | 1 | 0 | cyclic ketone | |
zingerone | [no description available] | medium | 1 | 0 | methyl ketone; monomethoxybenzene; phenols | anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent |
phorbol 12,13-dibutyrate | [no description available] | medium | 13 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
swainsonine | [no description available] | high | 2 | 0 | indolizidine alkaloid | antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite |
castanospermine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anti-HIV-1 agent; anti-inflammatory agent; EC 3.2.1.* (glycosidase) inhibitor; metabolite |
daunorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
norharman | [no description available] | medium | 2 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
baccatin iii | [no description available] | medium | 1 | 0 | acetate ester; benzoate ester; tetracyclic diterpenoid | plant metabolite |
taleranol | [no description available] | medium | 1 | 0 | macrolide | |
narasin | [no description available] | medium | 1 | 0 | diterpene glycoside | |
quassin | [no description available] | medium | 1 | 0 | triterpenoid | |
tomatidine | [no description available] | medium | 1 | 0 | 3beta-hydroxy steroid; azaspiro compound; oxaspiro compound | |
aloxistatin | [no description available] | medium | 2 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
pinocembrin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; dihydroxyflavanone | antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent |
isoscopoletin | [no description available] | medium | 1 | 0 | aromatic ether; hydroxycoumarin | plant metabolite |
vinburnine | [no description available] | medium | 1 | 0 | alkaloid | |
epicatechin | [no description available] | medium | 2 | 0 | catechin; polyphenol | antioxidant |
hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antineoplastic agent; antioxidant; plant metabolite |
magnolol | [no description available] | medium | 2 | 0 | biphenyls | |
honokiol | [no description available] | medium | 3 | 0 | biphenyls | |
betulin | [no description available] | medium | 2 | 0 | diol; pentacyclic triterpenoid | analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite |
tetrahydroalstonine | [no description available] | medium | 1 | 0 | methyl ester; organic heteropentacyclic compound; yohimban alkaloid | plant metabolite |
hernandezine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
picropodophyllin | [no description available] | medium | 1 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor |
dehydrocostus lactone | [no description available] | medium | 1 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone | antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug |
madecassic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; pentacyclic triterpenoid; tetrol | antioxidant; plant metabolite |
panaxadiol | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
tryptanthrine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound | |
homoeriodictyol | [no description available] | medium | 1 | 0 | 3'-methoxyflavanones; 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | flavouring agent; metabolite |
4-hydroxyindole | [no description available] | medium | 1 | 0 | hydroxyindoles; phenols | |
eriocitrin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; rutinoside; trihydroxyflavanone | antioxidant |
7,8-dihydromethysticin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
lupinine | [no description available] | medium | 1 | 0 | quinolizidine alkaloid | |
matrine | [no description available] | medium | 1 | 0 | alkaloid | |
friedelin | [no description available] | medium | 1 | 0 | cyclic terpene ketone; pentacyclic triterpenoid | anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite |
catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
quinine hydrochloride | [no description available] | medium | 1 | 0 | | |
sarsasapogenin | [no description available] | medium | 1 | 0 | sapogenin | |
corynanthine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
prunin protein, prunus | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; flavanone 7-O-beta-D-glucoside; monosaccharide derivative | antibacterial agent; antilipemic drug; hypoglycemic agent; metabolite |
podocarpic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
5-Methoxyflavone | [no description available] | medium | 1 | 0 | ether; flavonoids | |
10-hydroxycamptothecin | [no description available] | medium | 1 | 0 | pyranoindolizinoquinoline | |
corydaline | [no description available] | medium | 1 | 0 | isoquinoline alkaloid; isoquinolines | |
demissidine | [no description available] | medium | 1 | 0 | alkaloid; organic heteropolycyclic compound; steroid | |
cinchonidine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
propidium iodide | [no description available] | medium | 1 | 0 | organic iodide salt | |
tryptoline | [no description available] | medium | 2 | 0 | beta-carbolines | |
deguelin | [no description available] | medium | 1 | 0 | aromatic ether; diether; organic heteropentacyclic compound; rotenones | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite |
daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative | plant metabolite |
cafestol | [no description available] | medium | 1 | 0 | diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite |
homoorientin | [no description available] | medium | 1 | 0 | flavone C-glycoside; tetrahydroxyflavone | antineoplastic agent; radical scavenger |
asiatic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid; pentacyclic triterpenoid; triol | angiogenesis modulating agent; metabolite |
angustmycin a | [no description available] | medium | 1 | 0 | 6-aminopurines | |
razadyne | [no description available] | medium | 1 | 0 | | |
phytosphingosine | [no description available] | medium | 1 | 0 | amino alcohol; sphingoid; triol | mouse metabolite; Saccharomyces cerevisiae metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 1 | 0 | | |
celastrol | [no description available] | medium | 6 | 0 | monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite |
4'-demethylepipodophyllotoxin | [no description available] | medium | 1 | 0 | furonaphthodioxole; organic heterotetracyclic compound; phenols | antineoplastic agent |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 2 | 0 | leucine derivative | |
sinensetin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | plant metabolite |
harmalol hydrochloride | [no description available] | medium | 1 | 0 | | |
schizandrin a | [no description available] | medium | 1 | 0 | | |
schizandrin b | [no description available] | medium | 1 | 0 | aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin | anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite |
cryptotanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
isosakuranetin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-methoxyflavanones; dihydroxyflavanone; monomethoxyflavanone | plant metabolite |
isovitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
sclareol | [no description available] | medium | 1 | 0 | labdane diterpenoid | antifungal agent; antimicrobial agent; apoptosis inducer; fragrance; plant metabolite |
tanshinone ii a | [no description available] | medium | 2 | 0 | abietane diterpenoid | |
leucodin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
limonin | [no description available] | medium | 1 | 0 | epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound | inhibitor; metabolite; volatile oil component |
maduramicin | [no description available] | medium | 1 | 0 | | |
chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid | |
santonin | [no description available] | medium | 3 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
anisomycin | [no description available] | high | 6 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
acetylstrophanthidin | [no description available] | medium | 1 | 0 | acetate ester | anti-arrhythmia drug |
Harringtonine | [no description available] | medium | 2 | 0 | alkaloid | |
ketopinic acid | [no description available] | medium | 1 | 0 | | |
gitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid | |
graveoline | [no description available] | medium | 1 | 0 | quinolines | |
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en | [no description available] | medium | 1 | 0 | | |
taxifolin | [no description available] | medium | 2 | 0 | taxifolin | metabolite |
mimosine | [no description available] | medium | 1 | 0 | 4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
eriodictyol | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones; tetrahydroxyflavanone | |
conessine | [no description available] | medium | 1 | 0 | steroid alkaloid; tertiary amino compound | antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite |
hyperforin | [no description available] | medium | 1 | 0 | | |
deltaline | [no description available] | medium | 1 | 0 | acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound | |
ingenol | [no description available] | medium | 1 | 0 | cyclic terpene ketone; tetracyclic diterpenoid | |
picrotin | [no description available] | medium | 1 | 0 | diol; epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | plant metabolite |
picrotoxinin | [no description available] | medium | 1 | 0 | epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol | GABA antagonist; plant metabolite; serotonergic antagonist |
isonaringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; rutinoside | anti-inflammatory agent; antioxidant; metabolite |
ochratoxin a | [no description available] | medium | 1 | 0 | isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative | Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent |
gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
securinine | [no description available] | medium | 1 | 0 | indolizines | |
12-deoxyphorbol 13-acetate | [no description available] | medium | 1 | 0 | phorbol ester | metabolite |
aphidicolin | [no description available] | high | 13 | 0 | tetracyclic diterpenoid | antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite |
(+)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | |
beta, beta-dimethylacrylshikonin, (+)-isomer | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
rhapontin | [no description available] | medium | 1 | 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 |
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 |
amygdalin | [no description available] | medium | 1 | 0 | amygdalin | antineoplastic agent; apoptosis inducer; plant metabolite |
hydrastine, (r-(r*,s*))-isomer | [no description available] | medium | 1 | 0 | isoquinolines | |
vasicine | [no description available] | medium | 1 | 0 | | |
heliotrine | [no description available] | medium | 1 | 0 | pyrrolizines | |
sclareolide | [no description available] | medium | 1 | 0 | naphthofuran | |
hypocrellin b | [no description available] | medium | 1 | 0 | | |
aurapten | [no description available] | medium | 2 | 0 | coumarins; monoterpenoid | antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary |
fumonisin b2 | [no description available] | medium | 1 | 0 | diester; diol; fumonisin; primary amino compound | Aspergillus metabolite; carcinogenic agent |
valinomycin | [no description available] | medium | 3 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
12-deoxyphorbolphenylacetate-20-acetate | [no description available] | medium | 1 | 0 | | |
brassinin | [no description available] | medium | 1 | 0 | dithiocarbamic ester; indole phytoalexin | |
chaetomellic acid a | [no description available] | medium | 1 | 0 | | |
hirsutine | [no description available] | medium | 1 | 0 | | |
3-deoxyvasicine, hydrochloride | [no description available] | medium | 1 | 0 | | |
emetine dihydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor |
salinomycin | [no description available] | medium | 3 | 0 | polyketide; spiroketal | animal growth promotant; potassium ionophore |
5,6-dehydrokawain | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
9,10-dihydrolysergol | [no description available] | medium | 1 | 0 | | |
geranylgeranic acid | [no description available] | medium | 4 | 0 | alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid | |
biochanin a | [no description available] | medium | 2 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
formononetin | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant metabolite |
prostaglandin b1 | [no description available] | medium | 2 | 0 | prostaglandins B | human metabolite |
sterigmatocystin | [no description available] | medium | 1 | 0 | sterigmatocystins | metabolite |
vitexin | [no description available] | medium | 1 | 0 | C-glycosyl compound; trihydroxyflavone | antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor |
acacetin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | anticonvulsant; plant metabolite |
quercitrin | [no description available] | medium | 1 | 0 | alpha-L-rhamnoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | antileishmanial agent; antioxidant; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
quercetin 3-o-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite |
rutin | [no description available] | high | 2 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
kaempferol | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
senecionine | [no description available] | medium | 1 | 0 | lactone; pyrrolizidine alkaloid; tertiary alcohol | plant metabolite |
butein | [no description available] | medium | 2 | 0 | chalcones; polyphenol | antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor |
sulfuretin | [no description available] | medium | 1 | 0 | 1-benzofurans | |
genistin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside | |
chartreusin | [no description available] | medium | 1 | 0 | benzochromenone; glycoside | |
methysticin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
yangonin | [no description available] | medium | 1 | 0 | 2-pyranones; aromatic ether | |
zearalenone | [no description available] | medium | 2 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
datiscetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; tetrahydroxyflavone | |
diosmetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent |
3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | anticoagulant; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite |
rhamnetin | [no description available] | medium | 1 | 0 | monomethoxyflavone; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; metabolite |
robinetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | plant metabolite |
tamarixetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; monomethoxyflavone; tetrahydroxyflavone | antioxidant; metabolite |
wogonin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
coumestrol | [no description available] | medium | 1 | 0 | coumestans; delta-lactone; polyphenol | anti-inflammatory agent; antioxidant; plant metabolite |
rosmarinic acid | [no description available] | medium | 4 | 0 | rosmarinic acid | geroprotector; plant metabolite |
wedelolactone | [no description available] | medium | 1 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite |
ellagic acid | [no description available] | high | 10 | 1 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
ellagic acid | [no description available] | high | 10 | 0 | catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent |
7-hydroxyflavone | [no description available] | medium | 1 | 0 | hydroxyflavonoid | |
prostaglandin a1 | [no description available] | medium | 2 | 0 | prostaglandins A | |
cerulenin | [no description available] | medium | 1 | 0 | epoxide; monocarboxylic acid amide | antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor |
rhoifolin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glycosyloxyflavone; neohesperidoside | metabolite |
vitexin rhamnoside | [no description available] | medium | 1 | 0 | C-glycosyl compound; disaccharide derivative; trihydroxyflavone | plant metabolite |
domoic acid | [no description available] | medium | 2 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
cytochalasin b | [no description available] | medium | 15 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
bisdemethoxycurcumin | [no description available] | medium | 2 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; metabolite |
andrographolide | [no description available] | medium | 2 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
isorhamnetin 3-o-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monomethoxyflavone; monosaccharide derivative; trihydroxyflavone | metabolite |
6,7-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
flavokawain a | [no description available] | medium | 1 | 0 | chalcones | |
flavokawain b | [no description available] | medium | 1 | 0 | chalcones; dimethoxybenzene; phenols | anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite |
kavain | [no description available] | medium | 2 | 0 | racemate | glycine receptor antagonist |
abscisic acid, (+,-)-isomer | [no description available] | medium | 1 | 0 | abscisic acids | abscisic acid receptor agonist |
veratrine | [no description available] | medium | 1 | 0 | alkaloid | |
catharanthine | [no description available] | medium | 1 | 0 | alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | |
cytochalasin e | [no description available] | medium | 2 | 0 | cytochalasan alkaloid | metabolite |
cytochalasin d | [no description available] | medium | 1 | 0 | | |
sinomenine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
ecdysterone | [no description available] | medium | 8 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
bakuchiol | [no description available] | medium | 1 | 0 | | |
zerumbone | [no description available] | medium | 1 | 0 | cyclic ketone; sesquiterpenoid | anti-inflammatory agent; glioma-associated oncogene inhibitor; plant metabolite |
solanesol | [no description available] | medium | 1 | 0 | nonaprenol; primary alcohol | plant metabolite |
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
n-caproylsphingosine | [no description available] | medium | 2 | 0 | N-acylsphingosine | |
monorden | [no description available] | medium | 2 | 0 | cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols | antifungal agent; metabolite; tyrosine kinase inhibitor |
ginkgolide b | [no description available] | medium | 1 | 0 | | |
hydrocotarnine hydrobromide | [no description available] | medium | 1 | 0 | | |
salsolinol hydrobromide | [no description available] | medium | 1 | 0 | | |
lasalocid sodium | [no description available] | medium | 1 | 0 | benzoates; organic sodium salt | coccidiostat; ionophore |
sclerotiorin | [no description available] | medium | 1 | 0 | azaphilone | |
himbacine | [no description available] | medium | 1 | 0 | gamma-lactone; organic heterotricyclic compound; piperidine alkaloid | muscarinic antagonist |
ebelactone b | [no description available] | medium | 1 | 0 | | |
3-o-methylbutein | [no description available] | medium | 1 | 0 | chalcones | |
thermozymocidin | [no description available] | medium | 3 | 0 | alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid | antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent |
marein | [no description available] | medium | 1 | 0 | flavonoids; glycoside | |
hydroxyachillin | [no description available] | medium | 1 | 0 | gamma-lactone | |
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 |
artesunate | [no description available] | medium | 2 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
anisodamine | [no description available] | medium | 1 | 0 | | |
bufalin | [no description available] | medium | 8 | 0 | 14beta-hydroxy steroid; 3beta-hydroxy steroid | animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug |
alpha-solanine | [no description available] | medium | 1 | 0 | glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative | antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite |
apigenin-7-o-rutinoside | [no description available] | medium | 1 | 0 | | |
gambogic acid | [no description available] | medium | 7 | 0 | pyranoxanthones | metabolite |
bn 52020 | [no description available] | medium | 1 | 0 | | |
carmine | [no description available] | medium | 1 | 0 | C-glycosyl compound; monocarboxylic acid; tetrahydroxyanthraquinone | animal metabolite; histological dye |
bavachinin | [no description available] | medium | 1 | 0 | flavanones | |
grayanotoxin iii | [no description available] | medium | 1 | 0 | | |
Dihydrotanshinone I | [no description available] | medium | 2 | 0 | abietane diterpenoid | anticoronaviral agent |
cinobufagin | [no description available] | medium | 1 | 0 | steroid lactone | |
cannogenin thevetoside | [no description available] | medium | 1 | 0 | cardenolide glycoside | |
eriodictyol 7-O-beta-D-glucopyranoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; flavanone glycoside; monosaccharide derivative; trihydroxyflavanone | plant metabolite; radical scavenger |
hypocrellin a | [no description available] | medium | 1 | 0 | | |
dihydrorobinetin | [no description available] | medium | 1 | 0 | | |
citrinin | [no description available] | medium | 3 | 0 | | |
vulpinic acid | [no description available] | medium | 1 | 0 | butenolide | |
alpha-cyclopiazonic acid | [no description available] | medium | 1 | 0 | alpha-cyclopiazonic acids | |
lorglumide | [no description available] | medium | 1 | 0 | benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative | |
trequinsin | [no description available] | medium | 1 | 0 | pyridopyrimidine | |
fentiazac | [no description available] | medium | 1 | 0 | thiazoles | |
oxfendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester; sulfoxide | antinematodal drug |
sertaconazole | [no description available] | medium | 1 | 0 | 1-benzothiophenes; dichlorobenzene; ether; imidazoles | |
albendazole sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide | |
tenatoprazole | [no description available] | medium | 1 | 0 | imidazopyridine | |
cilnidipine | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; C-nitro compound; dihydropyridine | antihypertensive agent; calcium channel blocker; cardiovascular drug |
lacidipine | [no description available] | medium | 1 | 0 | cinnamate ester; tert-butyl ester | |
proanthocyanidin a2 | [no description available] | medium | 1 | 0 | hydroxyflavan; proanthocyanidin | angiogenesis modulating agent; anti-HIV agent; antioxidant; metabolite |
proanthocyanidin a1 | [no description available] | medium | 1 | 0 | flavonoid oligomer | |
ha 1100 | [no description available] | medium | 1 | 0 | | |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
diatrizoic acid | [no description available] | medium | 2 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
bromopride | [no description available] | medium | 1 | 0 | benzamides | |
bronopol | [no description available] | medium | 1 | 0 | nitro compound | |
ebastine | [no description available] | medium | 1 | 0 | organic molecular entity | |
4-biphenylylacetic acid | [no description available] | medium | 2 | 0 | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
fleroxacin | [no description available] | medium | 1 | 0 | difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines | antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
nefopam | [no description available] | medium | 1 | 0 | benzoxazocine; tertiary amino compound | |
piribedil | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
ono 1078 | [no description available] | medium | 1 | 0 | chromones | |
pyranoprofen | [no description available] | medium | 1 | 0 | pyridochromene | |
sulfanitran | [no description available] | medium | 1 | 0 | sulfonamide | |
tiapride | [no description available] | medium | 1 | 0 | benzamides | |
tilorone | [no description available] | medium | 1 | 0 | aromatic ether; diether; fluoren-9-ones; tertiary amino compound | anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist |
tinidazole | [no description available] | medium | 3 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
nikethamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | |
thenoyltrifluoroacetone | [no description available] | medium | 1 | 0 | | |
undecylenic acid | [no description available] | medium | 1 | 0 | undecenoic acid | antifungal drug; plant metabolite |
zaleplon | [no description available] | medium | 2 | 0 | nitrile; pyrazolopyrimidine | anticonvulsant; anxiolytic drug; central nervous system depressant; sedative |
zopiclone | [no description available] | medium | 2 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
triamcinolone diacetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
galantamine | [no description available] | medium | 2 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
emetine | [no description available] | high | 2 | 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 |
hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
ethambutol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antitubercular agent |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
metylperon | [no description available] | medium | 1 | 0 | aromatic ketone | |
metocurine | [no description available] | medium | 1 | 0 | isoquinolines | |
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 | 2 | 0 | anthraquinone | |
selegiline hydrochloride, (r)-isomer | [no description available] | medium | 1 | 0 | hydrochloride; terminal acetylenic compound | antiparkinson drug; dopaminergic agent; EC 1.4.3.4 (monoamine oxidase) inhibitor |
ornidazole | [no description available] | medium | 2 | 0 | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
fludarabine phosphate | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
benzonidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
feprazone | [no description available] | medium | 1 | 0 | organic molecular entity | |
nitazoxanide | [no description available] | medium | 3 | 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 |
fenoldopam mesylate | [no description available] | medium | 1 | 0 | benzazepine | |
pefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone | antibacterial drug; antiinfective agent; DNA synthesis inhibitor |
flupirtine | [no description available] | medium | 1 | 0 | aminopyridine | |
stepronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
idazoxan | [no description available] | medium | 1 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
imiquimod | [no description available] | high | 18 | 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 |
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 |
aripiprazole | [no description available] | medium | 2 | 0 | aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone | drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist |
atorvastatin calcium anhydrous | [no description available] | medium | 1 | 0 | organic calcium salt | |
duloxetine hydrochloride | [no description available] | medium | 1 | 0 | duloxetine hydrochloride | antidepressant |
zolmitriptan | [no description available] | medium | 2 | 0 | oxazolidinone; tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
emtricitabine | [no description available] | medium | 2 | 0 | monothioacetal; nucleoside analogue; organofluorine compound; pyrimidone | antiviral drug; HIV-1 reverse transcriptase inhibitor |
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 | 4 | 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 | 2 | 0 | hydrochloride | |
epirubicin hydrochloride | [no description available] | medium | 1 | 0 | | |
pazufloxacin | [no description available] | medium | 1 | 0 | quinolines | |
repaglinide | [no description available] | medium | 2 | 0 | piperidines | |
miconazole nitrate | [no description available] | medium | 2 | 0 | | |
zoledronic acid | [no description available] | medium | 5 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
artemisinin | [no description available] | medium | 2 | 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 | 2 | 0 | 3-oxo-Delta(4) steroid; steroid lactone | aldosterone antagonist; contraceptive drug; progestin |
artemether | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; organic peroxide; semisynthetic derivative; sesquiterpenoid | antimalarial |
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 |
betamipron | [no description available] | medium | 2 | 0 | organonitrogen compound; organooxygen compound | |
uroxatral | [no description available] | medium | 1 | 0 | hydrochloride | |
aceclofenac | [no description available] | medium | 2 | 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 |
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 | |
s20098 | [no description available] | medium | 1 | 0 | acetamides | |
gliquidone | [no description available] | medium | 1 | 0 | isoquinolines | |
moxifloxacin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antibacterial drug |
racecadotril | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
plavix | [no description available] | medium | 1 | 0 | azaheterocycle sulfate salt; organoammonium sulfate salt | anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor |
pramipexole | [no description available] | medium | 3 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
mk 0663 | [no description available] | medium | 1 | 0 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
desloratadine | [no description available] | medium | 3 | 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] | high | 15 | 1 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
docetaxel anhydrous | [no description available] | high | 15 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
telbivudine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
bms204352 | [no description available] | medium | 1 | 0 | | |
tolvaptan | [no description available] | medium | 2 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
lenalidomide | [no description available] | high | 5 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
lacosamide | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
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 |
perindopril erbumine | [no description available] | medium | 1 | 0 | addition compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
miglitol | [no description available] | medium | 2 | 0 | piperidines | |
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 |
fluticasone propionate | [no description available] | medium | 1 | 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 |
valrubicin | [no description available] | medium | 1 | 0 | anthracycline; trifluoroacetamide | |
posaconazole | [no description available] | medium | 4 | 0 | aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles | trypanocidal drug |
arginine vasopressin | [no description available] | medium | 5 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
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 |
eszopiclone | [no description available] | medium | 2 | 0 | zopiclone | central nervous system depressant; sedative |
epalrestat | [no description available] | medium | 2 | 0 | monocarboxylic acid; thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
drotaverin | [no description available] | medium | 1 | 0 | isoquinolines | |
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 |
nelarabine | [no description available] | medium | 2 | 0 | beta-D-arabinoside; monosaccharide derivative; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor; prodrug |
azilect | [no description available] | medium | 1 | 0 | | |
dexchlorpheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
l 660,711 | [no description available] | medium | 1 | 0 | quinolines | |
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 | |
dinoprost tromethamine | [no description available] | medium | 2 | 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 | 1 | 0 | oligopeptide | |
bimatoprost | [no description available] | medium | 2 | 0 | monocarboxylic acid amide | antiglaucoma drug; antihypertensive agent |
enalapril maleate | [no description available] | medium | 2 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) 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] | high | 6 | 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 | 2 | 0 | | |
cefdinir | [no description available] | medium | 2 | 0 | cephalosporin; ketoxime | antibacterial drug |
etoposide phosphate | [no description available] | medium | 1 | 0 | furonaphthodioxole | |
ciclesonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
temsirolimus | [no description available] | medium | 2 | 0 | macrolide lactam | |
dutasteride | [no description available] | medium | 4 | 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 |
thioacetazone | [no description available] | medium | 1 | 0 | | |
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 | | |
losartan potassium | [no description available] | medium | 34 | 0 | | |
losartan potassium | [no description available] | medium | 34 | 3 | | |
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 | |
ly-146032 | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide; lipopeptide antibiotic; lipopeptide; macrocycle; macrolide | antibacterial drug; bacterial metabolite; calcium-dependent antibiotics |
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 | | |
piperacillin sodium | [no description available] | medium | 2 | 0 | organic sodium salt | |
roquinimex | [no description available] | medium | 2 | 0 | aromatic amide | |
tigecycline | [no description available] | medium | 2 | 0 | | |
valtrex | [no description available] | medium | 1 | 0 | organic molecular entity | |
rifapentine | [no description available] | medium | 2 | 0 | N-alkylpiperazine; N-iminopiperazine; rifamycins | antitubercular agent; leprostatic drug |
sildenafil citrate | [no description available] | medium | 2 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
aprepitant | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
tegaserod maleate | [no description available] | medium | 1 | 0 | maleate salt | serotonergic agonist |
tetraiodothyroacetic acid | [no description available] | medium | 1 | 0 | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol | [no description available] | medium | 1 | 0 | dichlorobenzene; hydroxybiphenyls | |
iododiflunisal | [no description available] | medium | 1 | 0 | | |
bms 204493 | [no description available] | medium | 1 | 0 | acetylenic compound; benzoic acids; dihydronaphthalenes; stilbenoid | retinoic acid receptor antagonist |
uvi 3003 | [no description available] | medium | 3 | 0 | | |
cd 3254 | [no description available] | medium | 1 | 0 | | |
rabeprazole | [no description available] | medium | 2 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
pantoprazole sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
oxytetracycline hydrochloride | [no description available] | medium | 1 | 0 | | |
t0901317 | [no description available] | medium | 12 | 0 | | |
sr1001 | [no description available] | medium | 1 | 0 | sulfonamide | |
sr2211 | [no description available] | medium | 1 | 0 | | |
abietic acid | [no description available] | medium | 1 | 0 | abietane diterpenoid; monocarboxylic acid | plant metabolite |
pimaric acid | [no description available] | medium | 1 | 0 | diterpenoid | |
steviol | [no description available] | medium | 1 | 0 | bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid | antineoplastic agent |
pimaric acid | [no description available] | medium | 1 | 0 | | |
kojic acid | [no description available] | medium | 8 | 0 | 4-pyranones; enol; primary alcohol | Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent |
N-(4-hydroxyphenyl)-8-quinolinesulfonamide | [no description available] | medium | 1 | 0 | quinolines | |
sr 12813 | [no description available] | medium | 2 | 0 | organic phosphonate; phenols | pregnane X receptor agonist |
6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime | [no description available] | medium | 3 | 0 | | |
gw 501516 | [no description available] | medium | 2 | 0 | 1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound | carcinogenic agent; PPARbeta/delta agonist |
gw 4064 | [no description available] | medium | 2 | 0 | stilbenoid | |
mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound | androgen antagonist; antineoplastic agent |
(((4-nitrophenyl)amino)(2,2,4,4-tetramethyl thiochroman-6-yl)amino) methane-1-thione | [no description available] | medium | 1 | 0 | | |
belinostat | [no description available] | medium | 5 | 0 | hydroxamic acid; olefinic compound; sulfonamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
bix 01294 | [no description available] | medium | 1 | 0 | piperidines | |
2,7-fluorenediamine | [no description available] | medium | 1 | 0 | | |
alaproclate | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
alosetron | [no description available] | medium | 1 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
ambenonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | EC 3.1.1.8 (cholinesterase) inhibitor |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
secbutabarbital | [no description available] | medium | 1 | 0 | barbiturates | |
chlorcyclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
edrophonium | [no description available] | medium | 1 | 0 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
flavoxate | [no description available] | medium | 1 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | medium | 1 | 0 | benzenes | |
guanidine | [no description available] | medium | 2 | 0 | carboxamidine; guanidines; one-carbon compound | |
hydroxychloroquine | [no description available] | medium | 5 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
mechlorethamine | [no description available] | medium | 5 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
mepenzolate | [no description available] | medium | 1 | 0 | diarylmethane | |
mesoridazine | [no description available] | medium | 1 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methazolamide | [no description available] | medium | 2 | 0 | sulfonamide; thiadiazoles | |
methyclothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
naratriptan | [no description available] | medium | 1 | 0 | heteroarylpiperidine; sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
4-phenylbutyric acid | [no description available] | medium | 6 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
polythiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | |
propantheline | [no description available] | medium | 1 | 0 | xanthenes | |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
ropinirole | [no description available] | medium | 1 | 0 | indolones; tertiary amine | antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist |
secobarbital | [no description available] | medium | 1 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
succinylcholine | [no description available] | medium | 1 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
trihexyphenidyl | [no description available] | medium | 1 | 0 | amine | |
trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides; tertiary amino compound | antiemetic |
tyramine | [no description available] | medium | 2 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
cysteine | [no description available] | medium | 1 | 0 | cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite |
edetic acid | [no description available] | medium | 13 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
mepazine | [no description available] | medium | 1 | 0 | phenothiazines | |
calcium acetate | [no description available] | medium | 1 | 0 | calcium salt | chelator |
mebanazine | [no description available] | medium | 1 | 0 | benzenes | |
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 | |
brompheniramine | [no description available] | medium | 1 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
penicillin v | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | |
pseudoephedrine | [no description available] | medium | 1 | 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 |
diethylpropion | [no description available] | medium | 1 | 0 | aromatic ketone; tertiary amine | appetite depressant |
4-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 4-hydroxy monocarboxylic acid; hydroxybutyric acid | general anaesthetic; GHB receptor agonist; neurotoxin; sedative |
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 |
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 |
metaxalone | [no description available] | medium | 1 | 0 | aromatic ether | |
spectinomycin | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
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 |
carbenicillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
clomacran | [no description available] | medium | 1 | 0 | acridines | |
methenamine hippurate | [no description available] | medium | 1 | 0 | N-acylglycine | |
sodium thiosulfate | [no description available] | medium | 2 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
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 |
dexchlorpheniramine | [no description available] | medium | 1 | 0 | chlorphenamine | |
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 |
haloperidol decanoate | [no description available] | medium | 1 | 0 | organic molecular entity | |
balsalazide | [no description available] | medium | 1 | 0 | | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines; ether; phosphonic acids | antiviral drug; DNA synthesis inhibitor; drug metabolite; HIV-1 reverse transcriptase inhibitor; nephrotoxic agent |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
ibandronic acid | [no description available] | medium | 1 | 0 | | |
tiludronic acid | [no description available] | medium | 1 | 0 | organochlorine compound | |
tirofiban | [no description available] | medium | 1 | 0 | L-tyrosine derivative; piperidines; sulfonamide | anticoagulant; fibrin modulating drug; platelet glycoprotein-IIb/IIIa receptor antagonist |
fenofibric acid | [no description available] | medium | 3 | 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 | |
droxicam | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; pyridines | cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
acamprosate | [no description available] | medium | 1 | 0 | acetamides; organosulfonic acid | environmental contaminant; neurotransmitter agent; xenobiotic |
isaxonine | [no description available] | medium | 1 | 0 | aminopyrimidine | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
fenoxypropazine | [no description available] | medium | 1 | 0 | aromatic ether | |
nitrefazole | [no description available] | medium | 1 | 0 | imidazoles | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
frovatriptan | [no description available] | medium | 1 | 0 | carbazoles | |
eletriptan | [no description available] | medium | 1 | 0 | indoles; N-alkylpyrrolidine; sulfone | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
paliperidone | [no description available] | medium | 1 | 0 | 1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine; secondary alcohol | |
almotriptan | [no description available] | medium | 1 | 0 | indoles; sulfonamide; tertiary amine | non-steroidal anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
desvenlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols; phenols; tertiary amino compound | antidepressant; drug metabolite; marine xenobiotic metabolite |
tamsulosin | [no description available] | high | 2 | 0 | 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide | alpha-adrenergic antagonist; antineoplastic agent |
rufinamide | [no description available] | medium | 1 | 0 | aromatic amide; heteroarene | |
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 |
ertapenem | [no description available] | medium | 1 | 0 | carbapenemcarboxylic acid; pyrrolidinecarboxamide | antibacterial drug |
conivaptan | [no description available] | medium | 1 | 0 | benzazepine | aquaretic; vasopressin receptor antagonist |
pralnacasan | [no description available] | medium | 1 | 0 | | |
solifenacin | [no description available] | medium | 1 | 0 | isoquinolines | |
dexmethylphenidate | [no description available] | medium | 1 | 0 | methyl phenyl(piperidin-2-yl)acetate | adrenergic agent |
cinacalcet | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
lubiprostone | [no description available] | medium | 1 | 0 | | |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 3 | 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 | |
oxytocin | [no description available] | medium | 7 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
pancuronium | [no description available] | medium | 1 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
clindamycin phosphate | [no description available] | medium | 16 | 0 | | |
clindamycin phosphate | [no description available] | medium | 16 | 3 | | |
darifenacin | [no description available] | medium | 1 | 0 | 1-benzofurans; monocarboxylic acid amide; pyrrolidines | antispasmodic drug; muscarinic antagonist |
octreotide | [no description available] | medium | 1 | 0 | | |
eptifibatide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide; macrocycle; organic disulfide | anticoagulant; platelet aggregation inhibitor |
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 | 2 | 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 |
cancidas | [no description available] | medium | 1 | 0 | | |
aplaviroc | [no description available] | medium | 1 | 0 | | |
dermatan sulfate | [no description available] | medium | 5 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
dolasetron | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
fospropofol | [no description available] | medium | 1 | 0 | alkylbenzene | |
rasagiline | [no description available] | medium | 1 | 0 | indanes; secondary amine; terminal acetylenic compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; neuroprotective agent |
mivacurium | [no description available] | medium | 1 | 0 | isoquinolines | |
hemabate | [no description available] | medium | 1 | 0 | | |
paricalcitol | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
ethamolin | [no description available] | medium | 2 | 0 | long-chain fatty acid | |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
nabilone | [no description available] | medium | 1 | 0 | | |
vitamin k 1 | [no description available] | high | 4 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
trospium chloride | [no description available] | medium | 1 | 0 | | |
benzphetamine | [no description available] | medium | 1 | 0 | amphetamines; tertiary amine | adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent |
deamino arginine vasopressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
dexmedetomidine | [no description available] | medium | 1 | 0 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
goserelin | [no description available] | medium | 1 | 0 | organic molecular entity | |
silodosin | [no description available] | medium | 1 | 0 | indolecarboxamide | |
verteporfin | [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 |
palonosetron | [no description available] | medium | 1 | 0 | azabicycloalkane; delta-lactam; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
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 | |
armodafinil | [no description available] | medium | 1 | 0 | 2-[(diphenylmethyl)sulfinyl]acetamide | central nervous system stimulant; eugeroic |
sincalide | [no description available] | medium | 1 | 0 | oligopeptide | |
tapentadol | [no description available] | medium | 1 | 0 | alkylbenzene | |
cefditoren | [no description available] | medium | 1 | 0 | carboxylic acid; cephalosporin | antibacterial drug |
prasugrel hydrochloride | [no description available] | medium | 1 | 0 | | |
bms 477118 | [no description available] | medium | 1 | 0 | adamantanes; azabicycloalkane; monocarboxylic acid amide; nitrile; tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
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 |
sodium iothalamate | [no description available] | medium | 1 | 0 | | |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
raltegravir | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide | antiviral drug; HIV-1 integrase inhibitor |
demeclocycline | [no description available] | medium | 1 | 0 | | |
tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug; HIV protease inhibitor |
fertinex | [no description available] | medium | 1 | 0 | | |
bl 4162a | [no description available] | medium | 1 | 0 | imidazoquinazoline | anticoagulant; antifibrinolytic drug; cardiovascular drug; platelet aggregation inhibitor |
tegaserod | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; pyrrolopyrimidine | antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
valganciclovir | [no description available] | medium | 1 | 0 | L-valyl ester; purines | antiviral drug; prodrug |
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 |
obeticholic acid | [no description available] | medium | 2 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; dihydroxy-5beta-cholanic acid | farnesoid X receptor agonist; hepatoprotective agent |
gw0742 | [no description available] | medium | 5 | 0 | monocarboxylic acid | |
int-777 | [no description available] | medium | 1 | 0 | | |
9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; trihydroxyflavanone | |
pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
1,10-phenanthroline | [no description available] | medium | 3 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
ro 5-4864 | [no description available] | medium | 1 | 0 | | |
5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 5 | 0 | long-chain fatty acid | |
etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
anisindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
bufexamac | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
dichlorophen | [no description available] | medium | 2 | 0 | bridged diphenyl fungicide; diarylmethane | |
dipropizine | [no description available] | medium | 1 | 0 | piperazines | |
epirizole | [no description available] | medium | 2 | 0 | aromatic ether | |
myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
fluorometholone | [no description available] | medium | 1 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 23 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
harmaline | [no description available] | medium | 2 | 0 | harmala alkaloid | oneirogen |
indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
edaravone | [no description available] | medium | 1 | 0 | pyrazolone | antioxidant; radical scavenger |
cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
phenindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant |
proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
ronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; carbamate ester; imidazoles | antiparasitic agent; antiprotozoal drug |
aldactazide | [no description available] | medium | 1 | 0 | steroid lactone | |
sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
vesamicol | [no description available] | medium | 2 | 0 | piperidines | |
oxyphenonium bromide | [no description available] | medium | 1 | 0 | | |
neostigmine methylsulfate | [no description available] | medium | 1 | 0 | arylammonium sulfate salt | EC 3.1.1.8 (cholinesterase) inhibitor |
prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
azauridine | [no description available] | high | 2 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
fluocinolone acetonide | [no description available] | medium | 61 | 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 |
fluocinolone acetonide | [no description available] | medium | 61 | 20 | 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 |
4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
mecoprop | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | environmental contaminant; phenoxy herbicide; synthetic auxin |
arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
20-alpha-dihydroprogesterone | [no description available] | high | 2 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
fluocinonide | [no description available] | medium | 2 | 0 | organic molecular entity | |
fluocinonide | [no description available] | medium | 2 | 1 | organic molecular entity | |
xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
aminacrine | [no description available] | medium | 1 | 0 | | |
2-hydroxyacetanilide | [no description available] | medium | 1 | 0 | acetamides; phenols | anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite |
clopamide | [no description available] | medium | 1 | 0 | sulfonamide | |
phosmet | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide; phthalimides | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
malononitrile dimer | [no description available] | medium | 1 | 0 | | |
diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent; chelator |
amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic; sodium channel blocker |
azaribine | [no description available] | medium | 1 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone | |
mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
clidinium bromide | [no description available] | medium | 1 | 0 | | |
diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester; furans; organochlorine compound; tertiary carboxamide | antiamoebic agent; prodrug |
nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound; monohydroxyquinoline | antifungal agent; antiinfective agent; antimicrobial agent; renal agent |
alverine citrate | [no description available] | medium | 1 | 0 | citrate salt; organoammonium salt | antispasmodic drug; cholinergic antagonist |
cyclogyl | [no description available] | medium | 1 | 0 | | |
6-nitroindazole | [no description available] | medium | 1 | 0 | | |
hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester; cortisol ester; primary alpha-hydroxy ketone | dermatologic drug; drug allergen |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
eedq | [no description available] | medium | 2 | 0 | | |
tetridamin | [no description available] | medium | 1 | 0 | | |
thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
frentizole | [no description available] | medium | 1 | 0 | | |
eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
picobenzide | [no description available] | medium | 1 | 0 | | |
triadimenol | [no description available] | medium | 1 | 0 | aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite |
cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt; quaternary ammonium salt | |
tryptamide | [no description available] | medium | 1 | 0 | | |
oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist; H1-receptor antagonist |
mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; piperidinecarboxamide | local anaesthetic |
diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
edoxudin | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | |
6-ketoestradiol | [no description available] | medium | 1 | 0 | | |
17 beta-estradiol hemisuccinate | [no description available] | medium | 1 | 0 | | |
amizyl | [no description available] | medium | 1 | 0 | | |
salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
1,7-phenanthroline | [no description available] | medium | 6 | 0 | phenanthroline | |
3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
2,4-dimethoxybenzaldehyde | [no description available] | medium | 1 | 0 | | |
clobetasone butyrate | [no description available] | medium | 2 | 0 | organic molecular entity | |
clobetasone butyrate | [no description available] | medium | 2 | 1 | organic molecular entity | |
diflorasone diacetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid | anti-inflammatory drug; antipruritic drug |
hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
secnidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; secondary alcohol | epitope |
ergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
pramoxine hydrochloride | [no description available] | medium | 1 | 0 | aromatic ether | |
butyrylcholine chloride | [no description available] | medium | 1 | 0 | | |
1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
chloropyramine hydrochloride | [no description available] | medium | 1 | 0 | | |
6-aminoindazole | [no description available] | medium | 1 | 0 | indazoles | |
5-aminoindazole | [no description available] | medium | 1 | 0 | | |
2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
malic acid, (r)-isomer | [no description available] | medium | 1 | 0 | malic acid | |
21-deoxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone | human blood serum metabolite; mouse metabolite |
estrone 3-methyl ether | [no description available] | medium | 1 | 0 | | |
e-250 | [no description available] | medium | 1 | 0 | | |
rac-glycerol 1-monodecanoate | [no description available] | medium | 1 | 0 | rac-1-monoacylglycerol | |
nipecotic acid amide | [no description available] | medium | 1 | 0 | piperidinecarboxamide | |
tachistin | [no description available] | medium | 1 | 0 | | |
cortisol octanoate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
armepavine | [no description available] | medium | 1 | 0 | | |
bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | beta-carbolines | |
gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
Zearalanone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | |
butethamate citrate | [no description available] | medium | 1 | 0 | | |
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol | [no description available] | medium | 1 | 0 | piperidines | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
dichloro-1,2-diaminocyclohexane platinum complex | [no description available] | medium | 1 | 0 | | |
1,4-di(2'-thienyl)-1,4-butadione | [no description available] | medium | 1 | 0 | | |
methyl 5-aminolevulinate hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
antazoline phosphate | [no description available] | medium | 1 | 0 | | |
pridinol mesylate | [no description available] | medium | 1 | 0 | | |
5-fluorotryptamine monohydrochloride | [no description available] | medium | 1 | 0 | | |
piribedil mesylate | [no description available] | medium | 1 | 0 | | |
serc | [no description available] | medium | 1 | 0 | | |
procyclidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one | [no description available] | medium | 1 | 0 | macrolide | |
equilin | [no description available] | medium | 2 | 0 | 17-oxo steroid; 3-hydroxy steroid | |
equilin | [no description available] | medium | 2 | 1 | 17-oxo steroid; 3-hydroxy steroid | |
adrenosterone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; human urinary metabolite; marine metabolite |
gossypol acetic acid | [no description available] | medium | 2 | 0 | | |
epinastine | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
epinastine | [no description available] | medium | 2 | 1 | corticosteroid hormone | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone; dimethoxyflavone | |
medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid; mandelic acid | |
acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
difluprednate | [no description available] | medium | 1 | 0 | butyrate ester; corticosteroid hormone | |
flumethasone pivalate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone | anti-inflammatory drug; antipruritic drug |
histidyl-proline diketopiperazine | [no description available] | medium | 1 | 0 | dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine | anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite |
afimoxifene | [no description available] | medium | 8 | 0 | phenols; tertiary amino compound | antineoplastic agent; estrogen receptor antagonist; metabolite |
ketoconazole | [no description available] | medium | 1 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
chalcone | [no description available] | medium | 10 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
thermospine | [no description available] | medium | 1 | 0 | | |
dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester; benzofurans | |
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines; sn-glycerol 3-phosphates | Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite |
n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
nsc 4347 | [no description available] | medium | 1 | 0 | | |
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | medium | 1 | 0 | coumarins | |
2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)acetamide | [no description available] | medium | 1 | 0 | phthalimides | |
2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid | [no description available] | medium | 1 | 0 | psoralens | |
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione | [no description available] | medium | 1 | 0 | pyrimidotriazine | |
curcumin | [no description available] | high | 31 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide; furans | |
2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones; tert-butyl ester | |
ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
dihydrosamidine | [no description available] | medium | 1 | 0 | | |
N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
2-(3,4-dimethylphenyl)-5-ethyl-5-phenyl-1,2,4-triazolidine-3-thione | [no description available] | medium | 1 | 0 | methylbenzene | |
2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester | [no description available] | medium | 1 | 0 | isopropyl ester; piperazines | |
zeranol | [no description available] | medium | 1 | 0 | macrolide | |
monooctanoin | [no description available] | medium | 2 | 0 | 1-monoglyceride; octanoate ester; rac-1-monoacylglycerol | |
trimethoprim | [no description available] | medium | 1 | 0 | | |
4-hydroxy-1-[1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-pyrrolidinecarboxylic acid | [no description available] | medium | 1 | 0 | peptide | |
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
3-acetyl-6-methyl-1H-quinolin-4-one | [no description available] | medium | 1 | 0 | quinolines | |
3-(phenylthio)-1-(1-pyrrolidinyl)-1-propanone | [no description available] | medium | 1 | 0 | aryl sulfide | |
N-(3-chlorophenyl)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide | [no description available] | medium | 1 | 0 | imidazolidines | |
Anthraniloyllycoctonine | [no description available] | medium | 1 | 0 | diterpene alkaloid | |
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | [no description available] | medium | 1 | 0 | harmala alkaloid | |
prostaglandin f1 | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite |
estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
menatetrenone | [no description available] | medium | 4 | 0 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
hydrocortisone valerate | [no description available] | medium | 1 | 0 | cortisol ester; glucocorticoid; primary alpha-hydroxy ketone; valerate ester | |
prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
perhexiline maleate | [no description available] | medium | 1 | 0 | | |
ethisterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | drug metabolite; progestin |
u-44619 | [no description available] | medium | 1 | 0 | | |
nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
rg 13022 | [no description available] | medium | 1 | 0 | | |
styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
vincristine sulfate | [no description available] | medium | 1 | 0 | | |
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,7-dihydroxy-2-methyl-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | isoflavones | |
(2R)-2-[[(2R,3R,4R)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]acetic acid | [no description available] | medium | 1 | 0 | peptide | |
phentolamine | [no description available] | medium | 1 | 0 | | |
fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
nab-365 | [no description available] | medium | 1 | 0 | hydrochloride | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
dithiazanine iodide | [no description available] | medium | 1 | 0 | benzothiazoles; organic iodide salt | anthelminthic drug; fluorochrome |
sinequan | [no description available] | medium | 1 | 0 | dibenzooxazepine | |
buflomedil hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
6 beta-hydroxycortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mammalian metabolite; probe |
androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid; androstanoid | mammalian metabolite; pheromone |
dihydroouabain | [no description available] | medium | 1 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; radiosensitizing agent |
LSM-6455 | [no description available] | medium | 1 | 0 | peptide ergot alkaloid | |
estradiol 17-acetate | [no description available] | medium | 1 | 0 | steroid ester | |
(3aR,6aR)-5-(3-methoxyphenyl)-3-[oxo(2-pyrazinyl)methyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,6-dione | [no description available] | medium | 1 | 0 | pyrrolidines | |
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine | [no description available] | medium | 1 | 0 | pyrazoles; ring assembly | |
bucladesine | [no description available] | medium | 310 | 0 | 3',5'-cyclic purine nucleotide | |
bucladesine | [no description available] | medium | 310 | 1 | 3',5'-cyclic purine nucleotide | |
penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
naproxen sodium | [no description available] | medium | 1 | 0 | organic sodium salt | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
kf38789 | [no description available] | medium | 1 | 0 | | |
pralidoxime iodide | [no description available] | medium | 1 | 0 | organic iodide salt; pyridinium salt | cholinergic drug; cholinesterase reactivator |
pralidoxime chloride | [no description available] | medium | 1 | 0 | organic chloride salt; pyridinium salt | cholinergic drug; cholinesterase reactivator |
juglone | [no description available] | medium | 4 | 0 | hydroxy-1,4-naphthoquinone | geroprotector; herbicide; reactive oxygen species generator |
1,4-naphthoquinone | [no description available] | medium | 3 | 0 | 1,4-naphthoquinones | |
gallocatechol | [no description available] | medium | 1 | 0 | gallocatechin | antioxidant; metabolite; radical scavenger |
delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
gallocatechol | [no description available] | medium | 1 | 0 | catechin; flavan-3,3',4',5,5',7-hexol | antioxidant; food component; plant metabolite |
epicatechin gallate | [no description available] | medium | 2 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
procyanidin b2 | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
(-)-gallocatechin gallate | [no description available] | medium | 1 | 0 | catechin; gallate ester; polyphenol | antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite |
(-)-catechin-3-O-gallate | [no description available] | medium | 1 | 0 | flavans; gallate ester; polyphenol | metabolite |
procyanidin b1 | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; EC 3.4.21.5 (thrombin) inhibitor; metabolite |
3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole | [no description available] | medium | 1 | 0 | | |
hydrazinocurcumin | [no description available] | medium | 1 | 0 | aromatic ether; olefinic compound; polyphenol; pyrazoles | angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
benzyl isothiocyanate | [no description available] | medium | 1 | 0 | benzenes; isothiocyanate | antibacterial drug |
harmalol | [no description available] | medium | 1 | 0 | harmala alkaloid | algal metabolite; EC 1.4.3.4 (monoamine oxidase) inhibitor |
lapachol | [no description available] | medium | 1 | 0 | | |
protoporphyrin ix | [no description available] | medium | 3 | 0 | | |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | medium | 1 | 0 | indoles | |
alloxan | [no description available] | medium | 3 | 0 | pyrimidone | hyperglycemic agent; metabolite |
purpurin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | biological pigment; histological dye; plant metabolite |
lawsone | [no description available] | medium | 1 | 0 | | |
chloranil | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; organochlorine compound | EC 2.7.1.33 (pantothenate kinase) inhibitor; metabolite |
benzethonium chloride | [no description available] | medium | 1 | 0 | aromatic ether; chloride salt; quaternary ammonium salt | antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant |
apiole | [no description available] | medium | 1 | 0 | benzodioxoles | metabolite |
agaric acid | [no description available] | medium | 1 | 0 | | |
ethidium bromide | [no description available] | medium | 1 | 0 | organic bromide salt | geroprotector; intercalator; trypanocidal drug |
2-methoxy-1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones; enol ether | antimicrobial agent; metabolite; plant metabolite |
cetylpyridinium chloride | [no description available] | medium | 1 | 0 | hydrate | |
closantel | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols | |
sennoside A | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid; sennosides | |
lobaric acid | [no description available] | medium | 1 | 0 | carbonyl compound | |
6-hydroxydopa | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
oxidopamine hydrochloride | [no description available] | medium | 1 | 0 | | |
solidagenone | [no description available] | medium | 1 | 0 | | |
euphol | [no description available] | medium | 1 | 0 | triterpenoid | |
arachidonic acid | [no description available] | high | 52 | 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 |
4'-methoxychalcone | [no description available] | medium | 1 | 0 | chalcones | |
parthenolide, (1ar-(1ar*,4e,7as*,10as*,10br*))-isomer | [no description available] | medium | 1 | 0 | germacranolide | |
gossypetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | plant metabolite |
mangostin | [no description available] | medium | 2 | 0 | aromatic ether; phenols; xanthones | antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite |
4-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | antihypertensive agent; plant metabolite |
4'-hydroxychalcone | [no description available] | medium | 1 | 0 | chalcones; phenols | anti-inflammatory agent; antineoplastic agent |
7,7-dimethyl-5,8-eicosadienoic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
2',4'-dihydroxychalcone | [no description available] | medium | 1 | 0 | | |
obtusaquinone | [no description available] | medium | 1 | 0 | | |
22,23-dihydroavermectin b(1)a | [no description available] | medium | 1 | 0 | macrocyclic lactone; spiroketal | |
avermectin b(1)a | [no description available] | medium | 1 | 0 | avermectin | |
brazilein | [no description available] | medium | 1 | 0 | | |
Garcinolic acid | [no description available] | medium | 1 | 0 | pyranoxanthones | |
proflavine hemisulfate | [no description available] | medium | 1 | 0 | | |
candicidin | [no description available] | medium | 1 | 0 | macrolide antibiotic; polyene antibiotic | antifungal drug; bacterial metabolite |
triptohypol C | [no description available] | medium | 1 | 0 | benzenediols; monocarboxylic acid; pentacyclic triterpenoid | apoptosis inducer; plant metabolite |
gedunin | [no description available] | medium | 1 | 0 | acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid | antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite |
erythrosine | [no description available] | medium | 1 | 0 | | |
cedrelone | [no description available] | medium | 1 | 0 | limonoid | |
tanshinone ii a sodium sulfonate | [no description available] | medium | 1 | 0 | | |
(E,E)-1-bromo-2,5-bis-(4-hydroxystyryl)benzene | [no description available] | medium | 1 | 0 | organobromine compound; polyphenol | fluorescent dye |
6-o-palmitoylascorbic acid | [no description available] | medium | 1 | 0 | fatty acid ester | |
hematein | [no description available] | medium | 1 | 0 | | |
ly2090314 | [no description available] | medium | 1 | 0 | diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
withanolide a | [no description available] | medium | 1 | 0 | withanolide | |
phthalimide | [no description available] | medium | 1 | 0 | phthalimides | |
pregna-4,17-diene-3,16-dione | [no description available] | medium | 3 | 0 | 3-hydroxy steroid | androgen |
fr 173657 | [no description available] | medium | 1 | 0 | | |
fr 190997 | [no description available] | medium | 1 | 0 | | |
palbociclib | [no description available] | medium | 1 | 0 | aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
olaparib | [no description available] | medium | 1 | 0 | cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
ribociclib | [no description available] | medium | 1 | 0 | | |
byl719 | [no description available] | medium | 1 | 0 | proline derivative | |
cambinol | [no description available] | medium | 1 | 0 | | |
arsenic trioxide | [no description available] | medium | 566 | 48 | | |
arsenic | [no description available] | medium | 515 | 41 | metalloid atom; pnictogen | micronutrient |
bosutinib | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
chitosan | [no description available] | medium | 21 | 1 | | |
monobenzone | [no description available] | medium | 4 | 1 | benzyl ether | allergen; dermatologic drug; melanin synthesis inhibitor |
vasoactive intestinal peptide | [no description available] | medium | 15 | 0 | | |
potassium iodide | [no description available] | medium | 2 | 0 | potassium salt | expectorant; radical scavenger |
iodine | [no description available] | medium | 15 | 0 | halide anion; monoatomic iodine | human metabolite |
1,2-dioleoyloxy-3-(trimethylammonium)propane | [no description available] | medium | 5 | 0 | | |
stigmasterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol | plant metabolite |
epothilone b | [no description available] | medium | 1 | 0 | epothilone; epoxide | antineoplastic agent; apoptosis inducer; microtubule-stabilising agent |
thulium | [no description available] | medium | 2 | 2 | f-block element atom; lanthanoid atom | |
aluminum | [no description available] | medium | 3 | 0 | boron group element atom; elemental aluminium; metal atom | |
chlorine | [no description available] | medium | 15 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
procymidone | [no description available] | medium | 1 | 0 | | |
ethanolamine | [no description available] | medium | 5 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
propionyl-coenzyme a | [no description available] | medium | 1 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
abt-199 | [no description available] | medium | 9 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | [no description available] | medium | 6 | 0 | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
triazoles | [no description available] | medium | 43 | 1 | 1,2,3-triazole | |
p-aminoazobenzene | [no description available] | medium | 18 | 0 | | |
c.i. solvent yellow 56 | [no description available] | medium | 18 | 0 | azobenzenes; substituted aniline; tertiary amino compound | dye; mutagen |
bms453 | [no description available] | medium | 10 | 0 | benzoic acids; dihydronaphthalenes; stilbenoid | retinoic acid receptor alpha antagonist; retinoic acid receptor beta agonist; retinoic acid receptor gamma antagonist; teratogenic agent |
gold | [no description available] | medium | 12 | 0 | copper group element atom; elemental gold | |
arginyl-glycyl-aspartic acid | [no description available] | medium | 7 | 0 | oligopeptide | |
chir 99021 | [no description available] | medium | 5 | 0 | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
2-(3-ethylureido)-6-methylpyridine | [no description available] | medium | 1 | 0 | | |
epiglucan | [no description available] | medium | 3 | 0 | | |
glycolic acid | [no description available] | medium | 41 | 0 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
glycolic acid | [no description available] | medium | 41 | 13 | 2-hydroxy monocarboxylic acid; primary alcohol | keratolytic drug; metabolite |
luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antioxidant; plant metabolite |
glucose, (beta-d)-isomer | [no description available] | medium | 22 | 0 | D-glucopyranose | epitope; mouse metabolite |
oxidopamine | [no description available] | medium | 14 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
theanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
choline | [no description available] | medium | 22 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
silicon | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
glucagon | [no description available] | medium | 12 | 1 | peptide hormone | |
1-methyl-4-phenylpyridinium | [no description available] | medium | 9 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
oligonucleotides | [no description available] | medium | 23 | 1 | | |
atrazine | [no description available] | medium | 2 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
thiamethoxam | [no description available] | medium | 2 | 1 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
trehalose | [no description available] | medium | 1 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
retinamide | [no description available] | medium | 41 | 11 | | |
povidone-iodine | [no description available] | medium | 2 | 0 | | |
benzoin | [no description available] | medium | 1 | 0 | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
fibrin | [no description available] | medium | 12 | 0 | peptide | |
tectorigenin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones; methoxyisoflavone | anti-inflammatory agent; plant metabolite |
bisphenol a | [no description available] | medium | 5 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
gentamicin | [no description available] | medium | 2 | 0 | | |
midostaurin | [no description available] | medium | 7 | 0 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
midostaurin | [no description available] | medium | 7 | 1 | benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
staurosporine | [no description available] | medium | 58 | 1 | ammonium ion derivative | |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | |
nad | [no description available] | medium | 38 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
zinc oxide | [no description available] | medium | 3 | 1 | zinc molecular entity | |
acid phosphatase | [no description available] | medium | 26 | 0 | | |
illudin m | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
glycosides | [no description available] | medium | 11 | 0 | | |
acridine orange | [no description available] | medium | 4 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
transforming growth factor beta | [no description available] | medium | 463 | 3 | | |
interleukin-8 | [no description available] | medium | 50 | 2 | | |
levoleucovorin | [no description available] | medium | 6 | 1 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
cytosine | [no description available] | medium | 5 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sulfur | [no description available] | medium | 12 | 0 | chalcogen; nonmetal atom | macronutrient |
proline | [no description available] | medium | 13 | 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 |
arsenic trisulfide | [no description available] | medium | 2 | 0 | | |
iodine | [no description available] | medium | 12 | 0 | diatomic iodine | nutrient |
ethyl cellulose | [no description available] | medium | 1 | 0 | glycoside | |
dimethyl sulfone | [no description available] | medium | 1 | 0 | sulfone | |
citral | [no description available] | medium | 34 | 0 | enal; monoterpenoid; polyprenal | plant metabolite; volatile oil component |
dyngo-4a | [no description available] | medium | 1 | 0 | aromatic alcohol | EC 3.6.5.5 (dynamin GTPase) inhibitor |
teriflunomide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide | drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor |
galactose | [no description available] | medium | 15 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
hyperoside | [no description available] | medium | 2 | 0 | beta-D-galactoside; monosaccharide derivative; quercetin O-glycoside; tetrahydroxyflavone | hepatoprotective agent; plant metabolite |
pomalidomide | [no description available] | medium | 1 | 0 | aromatic amine; dicarboximide; isoindoles; piperidones | angiogenesis inhibitor; antineoplastic agent; immunomodulator |
heme | [no description available] | medium | 14 | 1 | | |
apatinib | [no description available] | medium | 2 | 1 | | |
4-(carboethoxyphenyl)retinamide | [no description available] | medium | 14 | 1 | | |
methoprene | [no description available] | medium | 7 | 0 | isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate; isopropyl ester | juvenile hormone mimic |
daptomycin | [no description available] | medium | 1 | 0 | | |
tocotrienols | [no description available] | medium | 2 | 0 | diterpenoid | |
elastin | [no description available] | medium | 27 | 2 | oligopeptide | |
acteoside | [no description available] | medium | 1 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
schizandrin | [no description available] | medium | 1 | 0 | | |
decabromobiphenyl ether | [no description available] | medium | 1 | 0 | polybromodiphenyl ether | neurotoxin |
2,2',4,4'-tetrabromodiphenyl ether | [no description available] | medium | 1 | 0 | aromatic ether; organobromine compound | |
angiotensin ii, des-phe(8)- | [no description available] | medium | 1 | 0 | amino acid zwitterion; angiotensin | vasodilator agent |
alpha-synuclein | [no description available] | medium | 10 | 0 | | |
artenimol | [no description available] | medium | 2 | 0 | | |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 101 | 3 | | |
mk-8776 | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | |
s-pentachlorobuta-1,3-dien-yl-cysteine | [no description available] | medium | 1 | 0 | | |
calpain | [no description available] | medium | 7 | 0 | | |
agar | [no description available] | medium | 12 | 0 | | |
cytochrome c-t | [no description available] | medium | 18 | 0 | | |
mocetinostat | [no description available] | medium | 32 | 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 |
activins | [no description available] | medium | 83 | 0 | | |
deoxynivalenol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol | mycotoxin |
resolvin d5 | [no description available] | medium | 1 | 0 | | |
adenanthin | [no description available] | medium | 2 | 0 | | |
concanavalin a | [no description available] | medium | 31 | 0 | | |
limestone | [no description available] | medium | 2 | 1 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
selenium | [no description available] | medium | 16 | 0 | chalcogen; nonmetal atom | micronutrient |
thiazoles | [no description available] | medium | 84 | 1 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
purmorphamine | [no description available] | medium | 11 | 0 | aromatic ether; morpholines; purines; secondary amino compound | osteogenesis regulator; SMO receptor agonist |
triphenyltin | [no description available] | medium | 8 | 0 | | |
enkephalin, leucine | [no description available] | medium | 4 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
pyrrolidine dithiocarbamate | [no description available] | medium | 2 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
metallothionein | [no description available] | medium | 12 | 0 | | |
glucagon-like peptide 1 | [no description available] | medium | 8 | 0 | | |
leptin | [no description available] | medium | 23 | 0 | | |
baricitinib | [no description available] | medium | 1 | 0 | azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide | anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent |
isoxazoles | [no description available] | medium | 5 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
gkt137831 | [no description available] | medium | 1 | 0 | | |
plx4032 | [no description available] | medium | 3 | 0 | aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
2,3-diphosphoglycerate | [no description available] | medium | 1 | 0 | bisphosphoglyceric acid; tetronic acid derivative | human metabolite |
glyceraldehyde 3-phosphate | [no description available] | medium | 2 | 0 | glyceraldehyde 3-phosphate | mouse metabolite |
erbium | [no description available] | medium | 1 | 1 | f-block element atom; lanthanoid atom | |
htn1 protein, human | [no description available] | medium | 1 | 0 | | |
bromochloroacetic acid | [no description available] | medium | 248 | 11 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
stilbenes | [no description available] | medium | 27 | 0 | stilbene | |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
alanine | [no description available] | medium | 12 | 0 | 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 |
gamma-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
carbostyril | [no description available] | medium | 6 | 0 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
fluoroboric acid | [no description available] | medium | 1 | 0 | boron fluoride | |
nadp | [no description available] | medium | 28 | 0 | | |
fluocinolone | [no description available] | medium | 7 | 2 | fluorinated steroid | |
gsk5182 | [no description available] | medium | 1 | 0 | | |
sodium arsenite | [no description available] | medium | 3 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
cysteine | [no description available] | medium | 16 | 0 | cysteinium | fundamental metabolite |
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone | [no description available] | medium | 7 | 0 | nitrosamine; pyridines | |
saccharin | [no description available] | medium | 3 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
carboplatin | [no description available] | medium | 8 | 3 | | |
ovalbumin | [no description available] | medium | 22 | 0 | | |
pristane | [no description available] | medium | 2 | 0 | long-chain alkane; norterpene | biomarker; immunological adjuvant |
vx-770 | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; phenols; quinolone | CFTR potentiator; orphan drug |
phenyl acetate | [no description available] | medium | 21 | 0 | benzenes; phenyl acetates | |
isoleucine | [no description available] | medium | 5 | 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 |
microcystin | [no description available] | medium | 1 | 0 | peptide | |
nitrogen dioxide | [no description available] | medium | 2 | 1 | nitrogen oxide | |
sodium hypochlorite | [no description available] | medium | 1 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
jasmonic acid | [no description available] | medium | 1 | 0 | oxo monocarboxylic acid | jasmonates; plant metabolite |
glycogen | [no description available] | medium | 6 | 0 | | |
methyl jasmonate | [no description available] | medium | 1 | 0 | | |
procyanidin | [no description available] | medium | 2 | 0 | proanthocyanidin | |
cyclopentane | [no description available] | medium | 8 | 1 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
sakacin a | [no description available] | medium | 1 | 0 | aspartic acid derivative | |
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 1 | benzoxazole | |
titanium | [no description available] | medium | 4 | 1 | titanium group element atom | |
1,2-epoxyhexane | [no description available] | medium | 1 | 1 | | |
peroxynitrous acid | [no description available] | medium | 1 | 1 | nitrogen oxoacid | |
dapoxetine | [no description available] | medium | 1 | 1 | naphthalenes | |
calcium borate | [no description available] | medium | 1 | 1 | | |
acetylcellulose | [no description available] | medium | 3 | 1 | | |
1,n(6)-ethenoadenine | [no description available] | medium | 1 | 1 | imidazo[2,1-i]purine | mutagen |
permanganate | [no description available] | medium | 1 | 1 | manganese oxoacid | |
uranium | [no description available] | medium | 1 | 1 | actinoid atom; f-block element atom; monoatomic uranium | |
piperidines | [no description available] | medium | 13 | 1 | | |
caprolactam | [no description available] | medium | 1 | 1 | caprolactams | human blood serum metabolite |
ozone | [no description available] | medium | 1 | 1 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
isopropyl myristate | [no description available] | medium | 3 | 1 | fatty acid ester | |
muscone | [no description available] | medium | 1 | 1 | | |
sorbitan monooleate | [no description available] | medium | 1 | 1 | fatty acid ester | |
lead | [no description available] | medium | 4 | 1 | carbon group element atom; elemental lead; metal atom | neurotoxin |
ammonium hydroxide | [no description available] | medium | 2 | 1 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
baicalin | [no description available] | medium | 1 | 1 | dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative | antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug |
deoxycytidine | [no description available] | medium | 13 | 2 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cellulose | [no description available] | medium | 5 | 1 | glycoside | |
phosphorus | [no description available] | medium | 14 | 1 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
histidine | [no description available] | medium | 7 | 1 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
ethylene | [no description available] | medium | 1 | 1 | alkene; gas molecular entity | plant hormone; refrigerant |
silver | [no description available] | medium | 7 | 1 | copper group element atom; elemental silver | Escherichia coli metabolite |
sulfur dioxide | [no description available] | medium | 1 | 1 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
catalpol | [no description available] | medium | 1 | 1 | | |
methane | [no description available] | medium | 3 | 1 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
propylene glycol | [no description available] | medium | 4 | 1 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
hydrogen | [no description available] | medium | 3 | 1 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
axitinib | [no description available] | medium | 1 | 1 | aryl sulfide; benzamides; indazoles; pyridines | antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist |
menaquinone 6 | [no description available] | medium | 5 | 1 | | |
menaquinone 7 | [no description available] | medium | 1 | 1 | menaquinone | bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite |
nitrites | [no description available] | medium | 13 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
quinoxalines | [no description available] | medium | 5 | 1 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
thiophenes | [no description available] | medium | 22 | 1 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
benzoxazoles | [no description available] | medium | 3 | 1 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
glycolipids | [no description available] | medium | 32 | 1 | | |
nitrates | [no description available] | medium | 7 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
pitolisant | [no description available] | medium | 1 | 1 | organochlorine compound | |
galactose | [no description available] | medium | 4 | 1 | | |
2,3-bis(bromomethyl)quinoxaline-1,4-dioxide | [no description available] | medium | 1 | 1 | | |
epidermal growth factor | [no description available] | medium | 282 | 0 | | |
mandelic acid | [no description available] | medium | 2 | 1 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
pyruvic acid | [no description available] | medium | 3 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
brusatol | [no description available] | medium | 1 | 0 | triterpenoid | |
betamethasone-17,21-dipropionate | [no description available] | medium | 3 | 2 | | |
icg 001 | [no description available] | medium | 2 | 0 | | |
pyrimidinones | [no description available] | medium | 4 | 0 | | |
pyrazines | [no description available] | medium | 13 | 0 | diazine; pyrazines | Daphnia magna metabolite |
glasdegib | [no description available] | medium | 1 | 0 | benzimidazoles; nitrile; phenylureas; piperidines | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
gilteritinib | [no description available] | medium | 1 | 0 | aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
enasidenib | [no description available] | medium | 2 | 0 | 1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
alpha-aminopyridine | [no description available] | medium | 4 | 0 | | |
silver nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; silver salt | astringent |
tetrodotoxin | [no description available] | medium | 13 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
glyceraldehyde | [no description available] | medium | 2 | 0 | aldotriose | fundamental metabolite |
zk159222 | [no description available] | medium | 2 | 0 | vitamin D | |
serine | [no description available] | medium | 33 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
chondroitin | [no description available] | medium | 2 | 0 | | |
platinum | [no description available] | medium | 3 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
arsenic trichloride | [no description available] | medium | 2 | 0 | arsenic molecular entity; pnictogen halide | genotoxin |
4-(diethylamino)benzaldehyde | [no description available] | medium | 5 | 0 | aromatic amine; benzaldehydes; tertiary amino compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
4-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
endothelin-1 | [no description available] | medium | 13 | 0 | | |
pituitrin | [no description available] | medium | 6 | 0 | | |
acrylamide | [no description available] | medium | 5 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
ganciclovir triphosphate | [no description available] | medium | 1 | 0 | | |
bp-1-102 | [no description available] | medium | 1 | 0 | | |
glucagon-like peptide 2 | [no description available] | medium | 1 | 0 | | |
abt-737 | [no description available] | medium | 1 | 0 | aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
fluorodeoxyglucose f18 | [no description available] | medium | 3 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
nitrophenols | [no description available] | medium | 4 | 0 | | |
okadaic acid | [no description available] | medium | 23 | 0 | ketal | |
fibrinogen | [no description available] | medium | 21 | 2 | iditol | fungal metabolite |
gdc 0449 | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; pyridines; sulfone | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent |
lissamine rhodamine b | [no description available] | medium | 2 | 0 | | |
gsk-j4 | [no description available] | medium | 5 | 0 | organonitrogen heterocyclic compound | |
fg-4592 | [no description available] | medium | 1 | 0 | aromatic ether; isoquinolines; N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor |
naphthoquinones | [no description available] | medium | 3 | 0 | | |
benzofurans | [no description available] | medium | 4 | 0 | | |
2-acetylfuranonaphthoquinone | [no description available] | medium | 1 | 0 | | |
lipoteichoic acid | [no description available] | medium | 2 | 0 | | |
exenatide | [no description available] | medium | 4 | 0 | | |
epiduo | [no description available] | medium | 1 | 1 | | |
r 115866 | [no description available] | medium | 17 | 1 | aromatic amine; benzothiazoles; secondary amino compound; triazoles | |
thiourea | [no description available] | medium | 2 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
salubrinal | [no description available] | medium | 1 | 0 | aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas | |
rhodanine | [no description available] | medium | 2 | 0 | thiazolidinone | |
thiazolidines | [no description available] | medium | 4 | 0 | thiazolidine | |
triphosphoric acid | [no description available] | medium | 2 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
fenbendazole | [no description available] | medium | 1 | 0 | aryl sulfide; benzimidazoles; carbamate ester | antinematodal drug |
lactoferrin | [no description available] | medium | 15 | 0 | | |
methacrylamide | [no description available] | medium | 1 | 0 | acrylamides; primary carboxamide | |
cyclin d1 | [no description available] | medium | 72 | 0 | | |
trametinib | [no description available] | medium | 1 | 0 | acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly | anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
erteberel | [no description available] | medium | 1 | 0 | | |
thromboplastin | [no description available] | medium | 50 | 2 | | |
cyclosporine | [no description available] | medium | 32 | 1 | | |
11-cis-retinal | [no description available] | medium | 27 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
n-(4-methoxyphenyl)retinamide | [no description available] | medium | 17 | 2 | | |
4-oxofenretinide | [no description available] | medium | 3 | 1 | | |
pyrroles | [no description available] | medium | 24 | 0 | pyrrole; secondary amine | |
quinazolines | [no description available] | medium | 16 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
sotrastaurin | [no description available] | medium | 1 | 0 | indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines | anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent |
hydroxyproline | [no description available] | medium | 19 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
wogonoside | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | |
bms 961 | [no description available] | medium | 3 | 0 | | |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 2 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
leupeptins | [no description available] | medium | 18 | 0 | | |
tyrosine | [no description available] | medium | 35 | 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 |
phosphatidylcholines | [no description available] | medium | 41 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
1,2-distearoyllecithin | [no description available] | medium | 3 | 0 | | |
a-83-01 | [no description available] | medium | 1 | 0 | | |
repsox | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
threonine | [no description available] | medium | 10 | 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 |
phenanthrenes | [no description available] | medium | 14 | 0 | | |
2-(s-glutathionyl)hydroquinone | [no description available] | medium | 1 | 0 | aryl sulfide; glutathione conjugate; hydroquinones | human xenobiotic metabolite; nephrotoxic agent |
krn 7000 | [no description available] | medium | 9 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
precirol | [no description available] | medium | 1 | 0 | | |
phorbol-12,13-diacetate | [no description available] | medium | 1 | 0 | | |
potassium chloride | [no description available] | medium | 14 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
prostaglandin d2 | [no description available] | medium | 37 | 0 | prostaglandins D | human metabolite; mouse metabolite |
dolichols | [no description available] | medium | 5 | 0 | polyterpene | |
uric acid | [no description available] | medium | 6 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
glucuronic acid | [no description available] | medium | 8 | 0 | D-glucuronic acid | algal metabolite |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
ampelopsin | [no description available] | medium | 1 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
pp242 | [no description available] | medium | 1 | 0 | aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine | antineoplastic agent; mTOR inhibitor |
acetaldehyde | [no description available] | medium | 10 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
ganglioside, gd2 | [no description available] | medium | 2 | 0 | | |
cenicriviroc | [no description available] | medium | 2 | 0 | aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide | anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist |
nitrofen | [no description available] | medium | 24 | 0 | organic molecular entity | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
lysophosphatidylcholines | [no description available] | medium | 4 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
glutarylcarnitine | [no description available] | medium | 1 | 0 | O-acylcarnitine | |
diazepinylbenzoic acid | [no description available] | medium | 6 | 0 | | |
sirtinol | [no description available] | medium | 1 | 0 | aldimine; benzamides; naphthols | anti-inflammatory agent; EC 3.5.1.98 (histone deacetylase) inhibitor; Sir2 inhibitor |
methylnitronitrosoguanidine | [no description available] | medium | 14 | 0 | nitroso compound | alkylating agent |
4-o-methyl-12-o-tetradecanoylphorbol 13-acetate | [no description available] | medium | 4 | 0 | | |
lysine | [no description available] | medium | 30 | 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 |
carbon monoxide | [no description available] | medium | 4 | 0 | 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 |
4-vinylguaiacol | [no description available] | medium | 1 | 0 | phenols | flavouring agent; pheromone; plant metabolite |
bardoxolone methyl | [no description available] | medium | 3 | 0 | cyclohexenones | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 17 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
malondialdehyde | [no description available] | medium | 14 | 0 | dialdehyde | biomarker |
titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
pasireotide | [no description available] | medium | 4 | 0 | homodetic cyclic peptide; peptide hormone | antineoplastic agent |
osilodrostat | [no description available] | medium | 2 | 0 | | |
sesquiterpenes | [no description available] | medium | 11 | 0 | | |
zedoarondiol | [no description available] | medium | 1 | 0 | | |
2-bromopalmitate | [no description available] | medium | 2 | 0 | 2-bromocarboxylic acid; bromo fatty acid; long-chain fatty acid; straight-chain fatty acid | fatty acid oxidation inhibitor |
fk 866 | [no description available] | medium | 1 | 0 | benzamides; N-acylpiperidine | |
verruculogen | [no description available] | medium | 1 | 0 | aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide | Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker |
tram 34 | [no description available] | medium | 1 | 0 | organochlorine compound | |
lactacystin | [no description available] | medium | 7 | 0 | lactam; S-substituted L-cysteine | |
rhein | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
3,4-dihydroxyphenylglycol | [no description available] | medium | 2 | 0 | catechols; tetrol | metabolite; mouse metabolite |
methoxyhydroxyphenylglycol | [no description available] | medium | 2 | 0 | methoxybenzenes; phenols | |
alpha-methyl-4-carboxyphenylglycine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | metabotropic glutamate receptor antagonist |
guanine | [no description available] | medium | 5 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-methylcytosine | [no description available] | medium | 4 | 1 | methylcytosine; pyrimidines | human metabolite |
5-hydroxymethylcytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse metabolite |
13,14-dihydroretinoic acid | [no description available] | medium | 5 | 0 | monocarboxylic acid; retinoid | |
eleostearic acid | [no description available] | medium | 1 | 0 | octadecatrienoic acid | |
linoleic acid | [no description available] | medium | 6 | 1 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
dichlorodiphenyl dichloroethylene | [no description available] | medium | 1 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
erlotinib hydrochloride | [no description available] | medium | 4 | 0 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
pd 0325901 | [no description available] | medium | 2 | 0 | difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound | antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
diethylhexyl phthalate | [no description available] | medium | 5 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
diethylnitrosamine | [no description available] | medium | 11 | 0 | nitrosamine | carcinogenic agent; hepatotoxic agent; mutagen |
gsk2879552 | [no description available] | medium | 1 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
silybin | [no description available] | medium | 1 | 0 | | |
salicylates | [no description available] | medium | 37 | 8 | monohydroxybenzoate | plant metabolite |
organophosphonates | [no description available] | medium | 4 | 0 | divalent inorganic anion; phosphite ion | |
4-(dimethylamino)benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes; substituted aniline; tertiary amino compound | chromogenic compound |
bismuth | [no description available] | medium | 1 | 0 | metal atom; pnictogen | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | |
beta-glycerophosphoric acid | [no description available] | medium | 9 | 0 | glycerol monophosphate | Escherichia coli metabolite; plant metabolite |
methylcellulose | [no description available] | medium | 6 | 0 | | |
ceruletide | [no description available] | medium | 2 | 0 | oligopeptide | diagnostic agent; gastrointestinal drug |
7-hydroxystaurosporine | [no description available] | medium | 1 | 0 | | |
acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
4-(phenylthio)butanoic acid | [no description available] | medium | 2 | 0 | | |
sodium iodide | [no description available] | medium | 3 | 0 | inorganic sodium salt; iodide salt | |
chondroitin sulfates | [no description available] | medium | 18 | 0 | | |
deoxycholic acid | [no description available] | medium | 7 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
22-hydroxycholesterol | [no description available] | medium | 15 | 0 | cholanoid | |
cystamine | [no description available] | medium | 6 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
fluorescein-5-isothiocyanate | [no description available] | medium | 12 | 0 | fluorescein isothiocyanate | |
rhodamine b | [no description available] | medium | 1 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
9,13-retinoic acid | [no description available] | medium | 21 | 1 | retinoid | |
puerarin | [no description available] | medium | 2 | 0 | C-glycosyl compound; isoflavonoid | |
cytidine | [no description available] | medium | 6 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyrimidin-2-one beta-ribofuranoside | [no description available] | medium | 4 | 0 | pyrimidine ribonucleosides | |
xav939 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; thiopyranopyrimidine | tankyrase inhibitor |
s-adenosylmethionine | [no description available] | medium | 2 | 0 | sulfonium betaine | human metabolite |
sofosbuvir | [no description available] | medium | 1 | 0 | aminopyrimidine; aromatic carboxylic acid; nucleobase analogue; pyrimidone | metabolite |
5-formylcytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone | metabolite |
ammonium chloride | [no description available] | medium | 2 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
tris(2-pyridylmethyl)amine | [no description available] | medium | 1 | 0 | | |
cyanamide | [no description available] | medium | 1 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
su 5402 | [no description available] | medium | 9 | 0 | | |
aminolevulinic acid | [no description available] | medium | 6 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
methyl 5-aminolevulinate | [no description available] | medium | 1 | 0 | delta-amino acid ester | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
ag 1879 | [no description available] | medium | 6 | 0 | aromatic amine; monochlorobenzenes; pyrazolopyrimidine | beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector |
sq-23377 | [no description available] | medium | 21 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
transforming growth factor alpha | [no description available] | medium | 36 | 1 | | |
caseins | [no description available] | medium | 10 | 0 | | |
phosgene | [no description available] | medium | 1 | 0 | acyl chloride | |
fluorides | [no description available] | medium | 4 | 0 | halide anion; monoatomic fluorine | |
4-hydroxy-2-nonenal | [no description available] | medium | 5 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
9-cis-retinal | [no description available] | medium | 9 | 0 | retinal | |
propidium | [no description available] | medium | 12 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
mitragynine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid | |
betadex | [no description available] | medium | 11 | 1 | cyclodextrin | |
heptakis(2,6-o-dimethyl)beta-cyclodextrin | [no description available] | medium | 2 | 0 | | |
ldn 193189 | [no description available] | medium | 1 | 0 | pyrimidines | |
rtki cpd | [no description available] | medium | 1 | 0 | | |
aprofen | [no description available] | medium | 1 | 0 | | |
4-hydroxy-n-desmethyltamoxifen | [no description available] | medium | 2 | 0 | stilbenoid | |
7-tricosene | [no description available] | medium | 2 | 0 | | |
alkenes | [no description available] | medium | 4 | 0 | | |
phosphorus radioisotopes | [no description available] | medium | 9 | 0 | | |
muramidase | [no description available] | medium | 17 | 0 | | |
gsk0660 | [no description available] | medium | 1 | 0 | sulfonamide | |
methylmercuric chloride | [no description available] | medium | 4 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 7 | 0 | carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
perfluorooctanoic acid | [no description available] | medium | 2 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
perfluorooctane sulfonic acid | [no description available] | medium | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
caprylates | [no description available] | medium | 4 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
fingolimod hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
mln 8237 | [no description available] | medium | 1 | 0 | benzazepine | |
involucrin | [no description available] | medium | 23 | 1 | | |
withaferin a | [no description available] | medium | 2 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide | antineoplastic agent; apoptosis inducer |
withanolides | [no description available] | medium | 1 | 0 | | |
nvp-tae684 | [no description available] | medium | 1 | 0 | piperidines | |
hydrogen carbonate | [no description available] | medium | 3 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
acetonitrile | [no description available] | medium | 7 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
15-deoxy-delta(12,14)-prostaglandin j2 | [no description available] | medium | 16 | 0 | prostaglandins J | electrophilic reagent; insulin-sensitizing drug; metabolite |
3,4,5,6-tetrahydrophthalic acid anhydride | [no description available] | medium | 1 | 0 | | |
glutaminase | [no description available] | medium | 1 | 0 | | |
cs1 peptide | [no description available] | medium | 1 | 0 | | |
tetraarsenic tetrasulfide | [no description available] | medium | 4 | 2 | | |
ubenimex | [no description available] | medium | 5 | 0 | | |
aminoimidazole carboxamide | [no description available] | medium | 3 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
aica ribonucleotide | [no description available] | medium | 1 | 0 | 1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole | cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
hes1 protein, human | [no description available] | medium | 5 | 0 | | |
citrulline | [no description available] | medium | 5 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
9-deoxy-delta-9-prostaglandin d2 | [no description available] | medium | 6 | 0 | prostaglandins J | human metabolite |
oleylamide | [no description available] | medium | 2 | 0 | primary fatty amide | human metabolite; plant metabolite |
ginsenosides | [no description available] | medium | 5 | 0 | | |
calcein am | [no description available] | medium | 2 | 0 | 2-benzofurans; acetate ester; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; xanthene dye | fluorochrome |
erythrosine | [no description available] | medium | 15 | 0 | | |
carbamates | [no description available] | medium | 3 | 0 | amino-acid anion | |
l 685458 | [no description available] | medium | 1 | 0 | carbamate ester; monocarboxylic acid amide; peptide; secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor; peptidomimetic |
helenalin | [no description available] | medium | 1 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite |
asparagine | [no description available] | medium | 4 | 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 |
mipafox | [no description available] | medium | 2 | 0 | phosphoramide | |
paraoxon | [no description available] | medium | 3 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
isoflurophate | [no description available] | medium | 2 | 0 | dialkyl phosphate | |
methyl tert-butyl ether | [no description available] | medium | 1 | 0 | ether | fuel additive; metabolite; non-polar solvent |
urushiol | [no description available] | medium | 2 | 0 | | |
sodium dodecyl sulfate | [no description available] | medium | 33 | 9 | organic sodium salt | detergent; protein denaturant |
thromboxane a2 | [no description available] | medium | 3 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 3 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
xanthine | [no description available] | medium | 3 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
24,25-dihydroxyvitamin d 3 | [no description available] | medium | 2 | 0 | | |
biliverdine | [no description available] | medium | 3 | 0 | | |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 2 | 0 | | |
2-(4-toluidino)-6-naphthalenesulfonic acid | [no description available] | medium | 1 | 0 | | |
gadolinium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
trypan blue | [no description available] | medium | 4 | 0 | | |
win 18446 | [no description available] | medium | 9 | 0 | organochlorine compound; secondary carboxamide | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
deoxyglucose | [no description available] | medium | 9 | 0 | | |
tetrahydrofuran | [no description available] | medium | 1 | 0 | cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound | polar aprotic solvent |
2,5-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite |
plicamycin | [no description available] | medium | 1 | 0 | | |
lewis x antigen | [no description available] | medium | 48 | 1 | | |
bix 01294 | [no description available] | medium | 2 | 0 | | |
nephrin | [no description available] | medium | 6 | 0 | | |
nile red | [no description available] | medium | 3 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
3,4-didehydroretinoic acid | [no description available] | medium | 13 | 0 | retinoid; vitamin A | human xenobiotic metabolite |
palladium | [no description available] | medium | 5 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
dodecyl-beta-d-maltoside | [no description available] | medium | 1 | 0 | disaccharide derivative; glycoside | detergent |
8,11,14-eicosatrienoic acid | [no description available] | medium | 2 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
11,12-dihydroxyeicosatrienoic acid | [no description available] | medium | 1 | 0 | DHET | mouse metabolite |
eosine yellowish-(ys) | [no description available] | medium | 1 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
angiotensin i | [no description available] | medium | 2 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 76 | 1 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
heparitin sulfate | [no description available] | medium | 11 | 0 | | |
jy-1-106 | [no description available] | medium | 1 | 0 | | |
5-(4-ethylbenzylidene)-2-thioxothiazolidin-4-one | [no description available] | medium | 1 | 0 | | |
chlorpyrifos | [no description available] | medium | 2 | 0 | chloropyridine; organic thiophosphate | acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic |
chlorodiphenyl (54% chlorine) | [no description available] | medium | 1 | 0 | | |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
hydroquinidine | [no description available] | medium | 2 | 0 | cinchona alkaloid | |
ucf 101 | [no description available] | medium | 1 | 0 | | |
apyrase | [no description available] | medium | 1 | 0 | | |
ascorbate-2-phosphate | [no description available] | medium | 1 | 0 | aldonolactone phosphate | |
thioinosine | [no description available] | medium | 4 | 0 | | |
6-benzylthioinosine | [no description available] | medium | 1 | 0 | | |
pyruvaldehyde | [no description available] | medium | 2 | 0 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
flusilazole | [no description available] | medium | 2 | 0 | conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
panobinostat | [no description available] | medium | 2 | 0 | cinnamamides; hydroxamic acid; methylindole; secondary amino compound | angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
calcium citrate | [no description available] | medium | 1 | 0 | organic calcium salt | flavouring agent; food additive; food preservative; nutraceutical |
calcium gluconate | [no description available] | medium | 1 | 0 | calcium salt | nutraceutical |
vitamin b 12 | [no description available] | medium | 10 | 0 | | |
homocysteine | [no description available] | medium | 18 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
transferrin | [no description available] | medium | 36 | 0 | | |
beta-apo-14'-carotenal | [no description available] | medium | 2 | 0 | carotenal; enal | |
beta-apo-13-carotenone | [no description available] | medium | 3 | 0 | apo carotenoid; enone | |
tributyrin | [no description available] | medium | 8 | 0 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
phytoestrogens | [no description available] | medium | 3 | 0 | | |
trelstar | [no description available] | medium | 1 | 0 | | |
pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
bromide | [no description available] | medium | 1 | 1 | halide anion; monoatomic bromine | |
retinal dimer | [no description available] | medium | 1 | 0 | | |
thiostrepton | [no description available] | medium | 1 | 0 | | |
caprolactone | [no description available] | medium | 1 | 0 | epsilon-lactone | |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 29 | 0 | tripeptide | |
gw-5074 | [no description available] | medium | 1 | 0 | | |
leukotriene e4 | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol | |
valerates | [no description available] | medium | 1 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
1,3-dicyclohexylurea | [no description available] | medium | 1 | 0 | ureas | |
fadrozole | [no description available] | medium | 1 | 0 | imidazopyridine | |
3-methyladenine | [no description available] | medium | 3 | 0 | | |
dicetylphosphate | [no description available] | medium | 4 | 0 | dialkyl phosphate | |
monomethylarsonic acid | [no description available] | medium | 1 | 0 | arsonic acids; one-carbon compound; organoarsonic acid | |
berberine | [no description available] | medium | 4 | 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 |
adamantane | [no description available] | medium | 5 | 0 | adamantanes; polycyclic alkane | |
diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
tiletamine hydrochloride | [no description available] | medium | 4 | 0 | | |
cadmium chloride | [no description available] | medium | 7 | 0 | cadmium coordination entity | |
nickel chloride | [no description available] | medium | 2 | 0 | nickel coordination entity | calcium channel blocker; hapten |
nickel | [no description available] | medium | 7 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
zinc sulfate | [no description available] | medium | 4 | 0 | metal sulfate; zinc molecular entity | fertilizer |
neutral red | [no description available] | medium | 2 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
lignans | [no description available] | medium | 2 | 0 | | |
bafilomycin a | [no description available] | medium | 1 | 0 | | |
arsenous acid | [no description available] | medium | 2 | 1 | arsenic oxoacid | |
atglistatin | [no description available] | medium | 1 | 0 | | |
trisialoganglioside gt1 | [no description available] | medium | 4 | 0 | | |
neuropeptide y | [no description available] | medium | 10 | 0 | | |
calcipotriene | [no description available] | medium | 14 | 4 | hydrate | antipsoriatic |
mercaptoethanol | [no description available] | medium | 12 | 0 | alkanethiol; primary alcohol | geroprotector |
thiobarbituric acid | [no description available] | medium | 3 | 0 | barbiturates | allergen; reagent |
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 |
azides | [no description available] | medium | 11 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
abscisic acid | [no description available] | medium | 2 | 0 | 2-trans-abscisic acid | |
jwh-133 | [no description available] | medium | 1 | 0 | benzochromene; dibenzopyran; organic heterotricyclic compound | analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent |
am 630 | [no description available] | medium | 1 | 0 | N-acylindole | |
2',7'-dichlorodihydrofluorescein | [no description available] | medium | 1 | 0 | | |
orabase | [no description available] | medium | 2 | 0 | | |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
cobalt | [no description available] | medium | 10 | 0 | cobalt group element atom; metal allergen | micronutrient |
cobaltous chloride | [no description available] | medium | 9 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
ucn 1028 c | [no description available] | medium | 6 | 0 | | |
atrinositol | [no description available] | medium | 1 | 0 | | |
hydrogen sulfide | [no description available] | medium | 1 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
thiosulfates | [no description available] | medium | 1 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
phytic acid | [no description available] | medium | 1 | 1 | inositol phosphate | |
8-epi-prostaglandin f2alpha | [no description available] | medium | 1 | 0 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
amyloid beta-peptides | [no description available] | medium | 3 | 0 | | |
cadmium | [no description available] | medium | 14 | 0 | cadmium molecular entity; zinc group element atom | |
carbitol | [no description available] | medium | 2 | 0 | diether; glycol ether; hydroxypolyether; primary alcohol | protic solvent |
agn 190299 | [no description available] | medium | 1 | 0 | monocarboxylic acid; pyridines; retinoid; thiochromane | keratolytic drug; teratogenic agent |
24-hydroxycholesterol | [no description available] | medium | 1 | 0 | 24-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | |
tocotrienol, alpha | [no description available] | medium | 1 | 0 | tocotrienol; vitamin E | ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite |
pep005 | [no description available] | medium | 1 | 0 | | |
myelin basic protein | [no description available] | medium | 13 | 0 | | |
paxilline | [no description available] | medium | 10 | 0 | diterpene alkaloid; enone; organic heterohexacyclic compound; terpenoid indole alkaloid; tertiary alcohol | anticonvulsant; Aspergillus metabolite; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor; genotoxin; geroprotector; mycotoxin; Penicillium metabolite; potassium channel blocker |
triphenyltin chloride | [no description available] | medium | 1 | 0 | chlorine molecular entity; organotin compound | antifungal agrochemical; immunosuppressive agent |
navitoclax | [no description available] | medium | 1 | 0 | aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound | antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor |
lycopene | [no description available] | medium | 6 | 0 | acyclic carotene | antioxidant; plant metabolite |
leukotriene b4 | [no description available] | medium | 13 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
fluorescein | [no description available] | medium | 6 | 0 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
alpha-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
methacycline | [no description available] | medium | 1 | 0 | 1,2-diglyceride | |
4-methylhistamine | [no description available] | medium | 1 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
thioperamide | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
ng-nitroarginine methyl ester | [no description available] | medium | 8 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
heptaminol | [no description available] | medium | 1 | 0 | tertiary alcohol | |
resorcinol | [no description available] | medium | 3 | 0 | benzenediol; phenolic donor; resorcinols | erythropoietin inhibitor; sensitiser |
7 alpha-hydroxy-4-cholesten-3-one | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid | human metabolite; mouse metabolite |
7 alpha-hydroxy-4-cholesten-3-one | [no description available] | medium | 1 | 1 | 3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid | human metabolite; mouse metabolite |
cholesteryl butanoate | [no description available] | medium | 1 | 0 | | |
sorbitan monostearate | [no description available] | medium | 2 | 0 | | |
dibutyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent |
phthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
fucoxanthin | [no description available] | medium | 2 | 0 | | |
importazole | [no description available] | medium | 1 | 0 | quinazolines | |
diisononyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | plasticiser |
ro 3306 | [no description available] | medium | 1 | 0 | | |
phenosafranine | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye; photosensitizing agent |
triphenyl bismuth | [no description available] | medium | 1 | 0 | | |
triphenylphosphine oxide | [no description available] | medium | 1 | 0 | phosphine oxide | NMR chemical shift reference compound |
selenious acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
elafin | [no description available] | medium | 1 | 0 | | |
n-(2-hydroxypropyl)methacrylamide | [no description available] | medium | 1 | 0 | | |
paclobutrazol | [no description available] | medium | 1 | 0 | | |
aluminum sulfate | [no description available] | medium | 2 | 0 | aluminium sulfate | |
squalene | [no description available] | medium | 5 | 1 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
e 4031 | [no description available] | medium | 1 | 0 | sulfonamide | |
beta-nitrostyrene | [no description available] | medium | 1 | 0 | | |
dithiothreitol | [no description available] | medium | 7 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
tris(2-carboxyethyl)phosphine | [no description available] | medium | 1 | 0 | phosphine derivative; tricarboxylic acid | reducing agent |
beta-n-methylamino-l-alanine | [no description available] | medium | 1 | 0 | diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | bacterial metabolite; neurotoxin |
ferrous chloride | [no description available] | medium | 1 | 0 | iron coordination entity | |
kartogenin | [no description available] | medium | 1 | 0 | | |
3-deazaneplanocin | [no description available] | medium | 2 | 0 | | |
mercury | [no description available] | medium | 4 | 0 | elemental mercury; zinc group element atom | neurotoxin |
farnesol | [no description available] | medium | 5 | 0 | farnesol | plant metabolite |
tricalcium phosphate | [no description available] | medium | 2 | 0 | calcium phosphate | |
ru 58841 | [no description available] | medium | 1 | 0 | | |
atrial natriuretic factor | [no description available] | medium | 10 | 0 | polypeptide | |
itraconazole | [no description available] | medium | 5 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
5-bromo-4-chloro-3-indolyl beta-galactoside | [no description available] | medium | 9 | 0 | beta-D-galactoside; D-aldohexose derivative; indolyl carbohydrate; organobromine compound; organochlorine compound | chromogenic compound |
thiazolyl blue | [no description available] | medium | 22 | 0 | organic bromide salt | colorimetric reagent; dye |
diazo-2 | [no description available] | medium | 1 | 0 | | |
fosfluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug; triazole antifungal drug; triazoles | prodrug |
dibutyryl cyclic-3',5'-cytidine monophosphate | [no description available] | medium | 2 | 0 | | |
cyclic cmp | [no description available] | medium | 2 | 0 | 3',5'-cyclic pyrimidine nucleotide | human metabolite |
racemetirosine | [no description available] | medium | 1 | 0 | | |
kt 5720 | [no description available] | medium | 2 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
methyl farnesoate | [no description available] | medium | 2 | 0 | enoate ester; fatty acid methyl ester; juvenile hormone | crustacean metabolite |
ponasterone a | [no description available] | medium | 3 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 2beta-hydroxy steroid; 3beta-hydroxy steroid; 6-oxo steroid; phytoecdysteroid | |
cupric chloride | [no description available] | medium | 1 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
thymidine | [no description available] | medium | 107 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
thioflavin t | [no description available] | medium | 2 | 0 | organic chloride salt | fluorochrome; geroprotector; histological dye |
acetovanillone | [no description available] | medium | 1 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
propiconazole | [no description available] | medium | 6 | 0 | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
triadimefon | [no description available] | medium | 5 | 0 | aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles | |
systhane | [no description available] | medium | 1 | 0 | monochlorobenzenes; nitrile; triazoles | |
15-deoxyprostaglandin j2 | [no description available] | medium | 9 | 0 | | |
cesium | [no description available] | medium | 2 | 0 | alkali metal atom | |
cesium fluoride | [no description available] | medium | 1 | 0 | | |
hexamethyldisiloxane | [no description available] | medium | 2 | 0 | organosiloxane | |
fluorexon | [no description available] | medium | 3 | 0 | xanthene dye | fluorochrome |
dehydroepiandrosterone sulfate | [no description available] | medium | 6 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
ribose | [no description available] | medium | 2 | 0 | D-ribose; ribopyranose | |
bradykinin | [no description available] | medium | 7 | 0 | oligopeptide | human blood serum metabolite; vasodilator agent |
enilconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
dimethylarginine | [no description available] | medium | 2 | 0 | | |
sodium nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
phosphothreonine | [no description available] | medium | 1 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
amonafide | [no description available] | medium | 1 | 0 | isoquinolines | |
lestaurtinib | [no description available] | medium | 3 | 0 | indolocarbazole | |
naphthalimides | [no description available] | medium | 1 | 0 | | |
tipifarnib | [no description available] | medium | 2 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 2 | 0 | | |
lutein | [no description available] | medium | 4 | 1 | carotenol | food colouring; plant metabolite |
retinoyl beta-glucuronide | [no description available] | medium | 68 | 0 | glucuronic acids; retinoid | human metabolite |
retinoyl beta-glucuronide | [no description available] | medium | 68 | 2 | glucuronic acids; retinoid | human metabolite |
tanshinone | [no description available] | medium | 9 | 0 | abietane diterpenoid | anticoronaviral agent |
oridonin | [no description available] | medium | 1 | 0 | | |
cathepsin g | [no description available] | medium | 5 | 0 | | |
salvin | [no description available] | medium | 4 | 0 | abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid | angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite |
acetylglucosamine | [no description available] | medium | 2 | 0 | N-acetyl-D-glucosamine | epitope |
cyanidin-3-o-beta-glucopyranoside | [no description available] | medium | 1 | 0 | | |
2',3'-dialdehyde atp | [no description available] | medium | 1 | 0 | | |
nargenicin a1 | [no description available] | medium | 1 | 0 | | |
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 |
n-methyl-3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | amphetamines; benzodioxoles | neurotoxin |
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 8 | 0 | | |
cytochalasin d | [no description available] | medium | 10 | 0 | | |
4-oxoretinol | [no description available] | medium | 4 | 0 | cyclic ketone; enone; primary allylic alcohol; retinoid | antineoplastic agent |
nitroblue tetrazolium | [no description available] | medium | 37 | 0 | organic cation | |
nartograstim | [no description available] | medium | 1 | 0 | | |
n-butyl vinyl ether | [no description available] | medium | 1 | 0 | | |
maleic anhydride | [no description available] | medium | 2 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
lipid a | [no description available] | medium | 2 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
cadaverine | [no description available] | medium | 13 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
monodansylcadaverine | [no description available] | medium | 8 | 0 | aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent |
noc 18 | [no description available] | medium | 1 | 0 | | |
cyclic gmp | [no description available] | medium | 10 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
8-bromoguanosino-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
stearylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | film-forming compound |
isoglobotrihexosylceramide | [no description available] | medium | 1 | 0 | alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer | antigen |
conduritol epoxide | [no description available] | medium | 2 | 0 | cyclitol; epoxide; tetrol | |
bml 210 | [no description available] | medium | 5 | 0 | dicarboxylic acid diamide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
kallidin | [no description available] | medium | 1 | 0 | peptide | |
kallidin, des-arg(10)- | [no description available] | medium | 1 | 0 | | |
su 1498 | [no description available] | medium | 2 | 0 | enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide | vascular endothelial growth factor receptor antagonist |
aluminum oxide | [no description available] | medium | 3 | 0 | | |
sodium nitrite | [no description available] | medium | 2 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
2-hexyl-1-cyclopentanone thiosemicarbazone | [no description available] | medium | 1 | 0 | | |
maltodextrin | [no description available] | medium | 1 | 0 | | |
fucose | [no description available] | medium | 14 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
norbinaltorphimine | [no description available] | medium | 1 | 0 | isoquinolines | |
enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 4 | 0 | | |
fluorobenzenes | [no description available] | medium | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
4-nitroquinoline-1-oxide | [no description available] | medium | 5 | 0 | C-nitro compound; quinoline N-oxide | carcinogenic agent |
acetone | [no description available] | medium | 6 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
2-tert-butylhydroquinone | [no description available] | medium | 3 | 0 | hydroquinones | food antioxidant |
ferrous sulfate | [no description available] | medium | 2 | 0 | iron molecular entity; metal sulfate | reducing agent |
7-ketocholesterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
tert-butylhydroperoxide | [no description available] | medium | 1 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
pomiferin | [no description available] | medium | 1 | 0 | isoflavanones | |
glycerol 1-stearate | [no description available] | medium | 1 | 0 | 1-acylglycerol 18:0; rac-1-monoacylglycerol | algal metabolite; Caenorhabditis elegans metabolite |
dapi | [no description available] | medium | 5 | 0 | indoles | fluorochrome |
natriuretic peptide, brain | [no description available] | medium | 5 | 0 | polypeptide | |
dalteparin | [no description available] | medium | 3 | 1 | | |
nafamostat | [no description available] | medium | 2 | 0 | benzoic acids; guanidines | |
gabexate | [no description available] | medium | 3 | 0 | benzoate ester | |
n-acetylhistidine | [no description available] | medium | 1 | 0 | L-histidine derivative; N-acetyl-L-amino acid; N-acetylhistidine | animal metabolite |
pd 173074 | [no description available] | medium | 1 | 0 | aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
3-methylhistidine | [no description available] | medium | 1 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite; Saccharomyces cerevisiae metabolite |
trinitrobenzenesulfonic acid | [no description available] | medium | 3 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
c-peptide | [no description available] | medium | 3 | 0 | | |
androstane | [no description available] | medium | 1 | 0 | steroid fundamental parent | |
osteoprotegerin | [no description available] | medium | 3 | 0 | long-chain fatty acid | |
sybr green i | [no description available] | medium | 1 | 0 | benzothiazolium ion; cyanine dye; quinolines; tertiary amine | fluorescent dye |
retinyl propionate | [no description available] | medium | 1 | 1 | | |
25-hydroxycholesterol | [no description available] | medium | 9 | 0 | 25-hydroxy steroid; oxysterol | human metabolite |
mevalonic acid | [no description available] | medium | 3 | 0 | 3,5-dihydroxy-3-methylpentanoic acid | |
mevalonolactone | [no description available] | medium | 2 | 0 | 4-hydroxy-4-methyloxan-2-one | fungal metabolite; plant metabolite |
glyceryl 2-arachidonate | [no description available] | medium | 1 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
resazurin | [no description available] | medium | 4 | 0 | phenoxazine | |
xanthenes | [no description available] | medium | 9 | 0 | xanthene | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 3 | 0 | | |
meglumine antimoniate | [no description available] | medium | 1 | 0 | | |
bim 23a760 | [no description available] | medium | 1 | 0 | | |
sudan black b | [no description available] | medium | 1 | 0 | azobenzenes; bis(azo) compound; perimidines | histological dye |
1'-acetoxychavicol acetate | [no description available] | medium | 1 | 0 | acetate ester; phenylpropanoid | antineoplastic agent; NF-kappaB inhibitor; plant metabolite |
ccx282-b | [no description available] | medium | 1 | 0 | | |
nutlin 1 | [no description available] | medium | 1 | 0 | | |
diethyl maleate | [no description available] | medium | 2 | 0 | ethyl ester; maleate ester | glutathione depleting agent |
dinitrochlorobenzene | [no description available] | medium | 5 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
trans-sodium crocetinate | [no description available] | medium | 2 | 0 | | |
e 3330 | [no description available] | medium | 1 | 0 | | |
sodium selenite | [no description available] | medium | 5 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
indolactam v | [no description available] | medium | 1 | 0 | indoles | |
azadirachtin | [no description available] | medium | 1 | 0 | acetate ester; azadirachtin; cyclic hemiketal; enoate ester; epoxide; methyl ester; organic heterotetracyclic compound; secondary alcohol; tertiary alcohol | hepatoprotective agent |
lg100754 | [no description available] | medium | 2 | 0 | | |
fotemustine | [no description available] | medium | 1 | 0 | N-nitrosoureas; organic phosphonate; organochlorine compound | |
kt 5823 | [no description available] | medium | 1 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
agathisflavone | [no description available] | medium | 1 | 0 | biaryl; biflavonoid; hydroxyflavone | antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite |
s-adenosylhomocysteine | [no description available] | medium | 4 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
s-adenosylmethionine | [no description available] | medium | 5 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
ic 87114 | [no description available] | medium | 1 | 0 | 6-aminopurines; biaryl; quinazolines | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
sodium hydride | [no description available] | medium | 1 | 0 | | |
dicyclohexylcarbodiimide | [no description available] | medium | 1 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
norgestrel | [no description available] | medium | 1 | 1 | | |
tri-cyclen | [no description available] | medium | 1 | 1 | | |
lymecycline | [no description available] | medium | 1 | 0 | | |
lipoxin a4 | [no description available] | medium | 2 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
vx680 | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
phenylthiourea | [no description available] | medium | 2 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
alpha-chymotrypsin | [no description available] | medium | 2 | 0 | | |
24,25-dihydrolanosterol | [no description available] | medium | 1 | 0 | 3beta-sterol; tetracyclic triterpenoid | human metabolite; mouse metabolite |
lanosterol | [no description available] | medium | 3 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
squaric acid dibutyl ester | [no description available] | medium | 1 | 0 | cyclic ketone; diether | allergen; immunological adjuvant |
desonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; cyclic ketal; primary alpha-hydroxy ketone | anti-inflammatory drug |
aluminum chloride | [no description available] | medium | 1 | 0 | aluminium coordination entity | Lewis acid |
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 |
ubiquinone | [no description available] | medium | 5 | 0 | | |
methylnitrosourea | [no description available] | medium | 43 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
hyaluronoglucosaminidase | [no description available] | medium | 3 | 0 | | |
lucifer yellow | [no description available] | medium | 9 | 0 | organic lithium salt | fluorochrome |
hydrochloric acid | [no description available] | medium | 1 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
eticlopride | [no description available] | medium | 1 | 0 | salicylamides | |
isoleucyl-lysyl-valyl-alanyl-valine | [no description available] | medium | 1 | 0 | | |
luzindole | [no description available] | medium | 1 | 0 | acetamides; indoles | melatonin receptor antagonist |
prostaglandin h2 | [no description available] | medium | 3 | 0 | olefinic compound; oxylipin; prostaglandins H; secondary alcohol | mouse metabolite |
sodium oxybate | [no description available] | medium | 2 | 0 | | |
muscimol | [no description available] | medium | 2 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
aldicarb | [no description available] | medium | 1 | 0 | | |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
guanosine triphosphate | [no description available] | medium | 9 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
pevonedistat | [no description available] | medium | 1 | 0 | cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate | antineoplastic agent; apoptosis inducer |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
dihydropyridines | [no description available] | medium | 2 | 0 | | |
n-homocysteine thiolactonyl retinamide | [no description available] | medium | 7 | 0 | | |
kynurenine | [no description available] | medium | 1 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
3-hydroxykynurenine | [no description available] | medium | 1 | 0 | hydroxykynurenine | human metabolite |
salsolinol | [no description available] | medium | 2 | 0 | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
mercuric chloride | [no description available] | medium | 4 | 0 | mercury coordination entity | sensitiser |
sphingosine 1-phosphate | [no description available] | medium | 6 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
cremophor el | [no description available] | medium | 2 | 0 | | |
thioctic acid | [no description available] | medium | 2 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
tocopherols | [no description available] | medium | 11 | 0 | | |
clay | [no description available] | medium | 2 | 1 | | |
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 3 | 0 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
chlorophyll a | [no description available] | medium | 3 | 0 | chlorophyll; methyl ester | cofactor |
metribolone | [no description available] | medium | 12 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid | androgen |
phalloidine | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
1-phenyl-2-decanoylamino-3-morpholino-1-propanol | [no description available] | medium | 2 | 0 | | |
gw9508 | [no description available] | medium | 1 | 0 | aromatic amine | |
thymalfasin | [no description available] | medium | 1 | 0 | polypeptide | |
thymosin | [no description available] | medium | 7 | 0 | | |
cloprostenol | [no description available] | medium | 1 | 0 | prostanoid | |
kp372-1 | [no description available] | medium | 1 | 0 | | |
palmitic acid | [no description available] | medium | 10 | 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 |
as 1411 | [no description available] | medium | 1 | 0 | | |
potassium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
phthalocyanine | [no description available] | medium | 1 | 0 | phthalocyanines; tetrapyrrole fundamental parent | |
rg108 | [no description available] | medium | 2 | 0 | indolyl carboxylic acid | |
capryloyl salicylic acid | [no description available] | medium | 2 | 2 | | |
liraglutide | [no description available] | medium | 1 | 0 | lipopeptide; polypeptide | glucagon-like peptide-1 receptor agonist; neuroprotective agent |
chlordecone | [no description available] | medium | 1 | 0 | cyclic ketone; organochlorine compound | insecticide; persistent organic pollutant |
hydrogen sulfite | [no description available] | medium | 1 | 0 | sulfur oxoanion | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sulfites | [no description available] | medium | 2 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
cyclic adp-ribose | [no description available] | medium | 12 | 0 | cyclic purine nucleotide; nucleotide-sugar | metabolite; ryanodine receptor agonist |
ornithine | [no description available] | medium | 10 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
n(g)-iminoethylornithine | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
2,2'-(hydroxynitrosohydrazono)bis-ethanamine | [no description available] | medium | 1 | 0 | | |
imidazole | [no description available] | medium | 2 | 0 | imidazole | |
gamendazole | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; dichlorobenzene; indazoles; olefinic compound; organofluorine compound | antispermatogenic agent; eukaryotic translation elongation factor 1alpha 1 inhibitor; Hsp90 inhibitor; synthetic oral contraceptive |
indazoles | [no description available] | medium | 2 | 0 | indazole | |
1-(2,4-dichlorobenzyl)indazole-3-carbohydrazide | [no description available] | medium | 1 | 0 | | |
lupane | [no description available] | medium | 1 | 0 | | |
betulonic acid | [no description available] | medium | 1 | 0 | triterpenoid | anticoronaviral agent |
uvaol | [no description available] | medium | 1 | 0 | triterpenoid | metabolite |
px 478 | [no description available] | medium | 1 | 0 | | |
ergoline | [no description available] | medium | 4 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
apocarotenal | [no description available] | medium | 1 | 0 | apo carotenoid triterpenoid; enal | |
4-hydroxyretinoic acid | [no description available] | medium | 11 | 0 | retinoid; secondary allylic alcohol | human metabolite |
hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
triphenyltetrazolium | [no description available] | medium | 2 | 0 | organic cation | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
dextrorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
diacetyldichlorofluorescein | [no description available] | medium | 1 | 0 | | |
myelin oligodendrocyte glycoprotein (35-55) | [no description available] | medium | 1 | 0 | | |
(3h)2-carbomethoxy-3-(4-fluorophenyl)tropane | [no description available] | medium | 1 | 1 | | |
phosphoserine | [no description available] | medium | 10 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
8-((4-chlorophenyl)thio)cyclic-3',5'-amp | [no description available] | medium | 5 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound | protein kinase agonist |
yttrium | [no description available] | medium | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
pheophorbide a | [no description available] | medium | 1 | 0 | | |
guanylyl imidodiphosphate | [no description available] | medium | 4 | 0 | nucleoside triphosphate analogue | |
razoxane | [no description available] | medium | 3 | 0 | N-alkylpiperazine | |
cotylenin a | [no description available] | medium | 4 | 0 | | |
biocytin | [no description available] | medium | 1 | 0 | azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas | mouse metabolite |
bisbenzimidazole | [no description available] | medium | 3 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
tricaprin | [no description available] | medium | 1 | 0 | decanoate ester; triglyceride | |
1,2-distearoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | phosphatidylethanolamine zwitterion; phosphatidylethanolamine | human metabolite |
reticulin | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | plant metabolite |
octa-2,4,6-trienoic acid | [no description available] | medium | 1 | 0 | | |
guanosine diphosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
6-aminonicotinamide | [no description available] | medium | 4 | 0 | aminopyridine; monocarboxylic acid amide; primary amino compound | antimetabolite; EC 1.1.1.44 (NADP(+)-dependent decarboxylating phosphogluconate dehydrogenase) inhibitor; teratogenic agent |
phenylethyl alcohol | [no description available] | medium | 3 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
cyclopentenyl cytosine | [no description available] | medium | 1 | 0 | | |
cytidine triphosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
cl 316243 | [no description available] | medium | 2 | 0 | | |
yomogin | [no description available] | medium | 1 | 0 | | |
vanadates | [no description available] | medium | 7 | 0 | trivalent inorganic anion; vanadium oxoanion | EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
antimony sodium gluconate | [no description available] | medium | 1 | 0 | | |
2'-deoxy-2'-methylenecytidine | [no description available] | medium | 2 | 0 | | |
icrf 193 | [no description available] | medium | 2 | 0 | | |
1,2-bis(3,5-dioxopiperazin-1-yl)ethane | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 2 | 0 | | |
k201 compound | [no description available] | medium | 2 | 0 | | |
phosphotyrosine | [no description available] | medium | 20 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
zm 252868 | [no description available] | medium | 1 | 0 | hydrochloride | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
tyrphostin ag825 | [no description available] | medium | 1 | 0 | aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide | epidermal growth factor receptor antagonist |
rg 14620 | [no description available] | medium | 1 | 0 | | |
carboxyl radical | [no description available] | medium | 1 | 0 | carbon oxide; organic radical anion | xenobiotic metabolite |
vitamin b 6 | [no description available] | medium | 2 | 0 | | |
oblimersen | [no description available] | medium | 2 | 0 | | |
androstane-3,17-diol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; androstanoid | |
sphingosine kinase | [no description available] | medium | 2 | 0 | | |
phorbol-12-myristate | [no description available] | medium | 1 | 0 | | |
batimastat | [no description available] | medium | 4 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
gq1b ganglioside | [no description available] | medium | 1 | 0 | | |
natriuretic peptide, c-type | [no description available] | medium | 4 | 0 | | |
puromycin aminonucleoside | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | |
pyriproxyfen | [no description available] | medium | 2 | 0 | aromatic ether; pyridines | juvenile hormone mimic |
5,6-epoxyretinoic acid | [no description available] | medium | 18 | 0 | | |
phosphatidylethanol | [no description available] | medium | 1 | 0 | | |
lactobionic acid | [no description available] | medium | 1 | 0 | disaccharide | antioxidant |
uridine diphosphate | [no description available] | medium | 2 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
phorbolol myristate acetate | [no description available] | medium | 4 | 0 | | |
inositol 1,4,5-trisphosphate | [no description available] | medium | 12 | 0 | myo-inositol trisphosphate | mouse metabolite |
uridine triphosphate | [no description available] | medium | 4 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
equilin sulfate | [no description available] | medium | 1 | 1 | | |
n-acetylsphingosine | [no description available] | medium | 3 | 0 | N-acylsphingosine | |
ethylene oxide | [no description available] | medium | 1 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
g(m1) ganglioside | [no description available] | medium | 7 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
3-deazauridine | [no description available] | medium | 2 | 0 | N-glycosyl compound | |
4-chlorophenylacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; monochlorobenzenes | xenobiotic metabolite |
hypoxanthine | [no description available] | medium | 8 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
mannosamine | [no description available] | medium | 2 | 0 | D-mannosamine | |
picogreen | [no description available] | medium | 1 | 0 | benzothiazoles; cyanine dye; quinolines; tertiary amine | fluorescent dye |
kh 1060 | [no description available] | medium | 10 | 1 | | |
bongkrekic acid | [no description available] | medium | 1 | 0 | ether; olefinic compound; tricarboxylic acid | apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin |
carboxyatractyloside | [no description available] | medium | 1 | 0 | | |
atractyloside | [no description available] | medium | 1 | 0 | | |
acetyl coenzyme a | [no description available] | medium | 4 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
mannose-6-phosphate | [no description available] | medium | 3 | 0 | D-mannopyranose 6-phosphate | |
nicotinamide n-oxide | [no description available] | medium | 1 | 0 | pyridines | |
euxanthone | [no description available] | medium | 1 | 0 | phenols; xanthones | metabolite; plant metabolite |
ubichromenol | [no description available] | medium | 1 | 0 | | |
fluorine | [no description available] | medium | 4 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | imidazopyridine; primary amino compound | carcinogenic agent; mutagen |
prolinedithiocarbamate | [no description available] | medium | 1 | 0 | | |
gw 7845 | [no description available] | medium | 1 | 0 | | |
oxazoles | [no description available] | medium | 2 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
enocitabine | [no description available] | medium | 13 | 4 | organic molecular entity | |
bryostatin 1 | [no description available] | medium | 12 | 0 | | |
alizarin red s | [no description available] | medium | 2 | 0 | organic sodium salt; organosulfonate salt | histological dye |
cryptoxanthins | [no description available] | medium | 1 | 0 | carotenol | antioxidant; biomarker; plant metabolite; provitamin A |
5-methyltetrahydrofolate | [no description available] | medium | 1 | 0 | | |
5,6,7,8-tetrahydrofolic acid | [no description available] | medium | 1 | 0 | tetrahydrofolic acid | |
maxacalcitol | [no description available] | medium | 5 | 0 | organic molecular entity | |
ethane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
1,2-dihydrostilbene | [no description available] | medium | 1 | 0 | diphenylethane | |
bromoxynil | [no description available] | medium | 1 | 0 | dibromobenzene; hydroxynitrile; phenols | environmental contaminant; herbicide; xenobiotic |
2,4-thiazolidinedione | [no description available] | medium | 8 | 0 | thiazolidenedione | |
ficusin | [no description available] | medium | 6 | 0 | psoralens | plant metabolite |
agn 194204 | [no description available] | medium | 7 | 0 | | |
leptomycin b | [no description available] | medium | 1 | 0 | | |
thromboxanes | [no description available] | medium | 2 | 0 | | |
flag peptide | [no description available] | medium | 1 | 0 | peptide | |
ethchlorvynol | [no description available] | medium | 1 | 0 | | |
l 683590 | [no description available] | medium | 1 | 0 | ether; lactol; macrolide; secondary alcohol | antifungal agent; bacterial metabolite; immunosuppressive agent |
hoe 33342 | [no description available] | medium | 4 | 0 | | |
valine | [no description available] | medium | 3 | 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 |
formic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
agn 194310 | [no description available] | medium | 2 | 0 | | |
palmitoleic acid | [no description available] | medium | 1 | 0 | hexadec-9-enoic acid | algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite |
ganglioside, gd1b | [no description available] | medium | 1 | 0 | | |
1-deoxynojirimycin | [no description available] | medium | 1 | 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 |
cobamamide | [no description available] | medium | 1 | 0 | | |
triiodothyronine | [no description available] | medium | 3 | 0 | tetrahydrothiophenes; thiolactone | human metabolite |
furylfuramide | [no description available] | medium | 2 | 0 | acrylamides; C-nitro compound; nitrofuran antibiotic; primary carboxamide | |
rp 73401 | [no description available] | medium | 1 | 0 | aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide | anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor |
fibrinopeptide a | [no description available] | medium | 1 | 0 | | |
potassium dichromate | [no description available] | medium | 1 | 0 | potassium salt | allergen; oxidising agent; sensitiser |
gamma-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
pramiconazole | [no description available] | medium | 1 | 0 | piperazines | |
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
adrenomedullin | [no description available] | medium | 4 | 0 | | |
deoxyguanosine | [no description available] | medium | 2 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 2 | 0 | guanosines | biomarker |
alpha-cyclodextrin | [no description available] | medium | 1 | 0 | cyclodextrin | |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
perfosfamide | [no description available] | medium | 2 | 0 | | |
gamma-resorcylic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | metabolite |
nadifloxacin | [no description available] | medium | 1 | 0 | heteroarylpiperidine; hydroxypiperidine; pyridoquinoline; quinolone antibiotic | antibacterial drug |
technetium tc 99m medronate | [no description available] | medium | 1 | 0 | | |
5-(biotinamido)pentylamine | [no description available] | medium | 1 | 0 | | |
phytanic acid | [no description available] | medium | 7 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | |
phytol | [no description available] | medium | 4 | 0 | | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acylcarnitine | human metabolite |
prinomastat | [no description available] | medium | 1 | 0 | aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor |
adenosine monophosphate | [no description available] | medium | 3 | 0 | 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 |
propamidine | [no description available] | medium | 1 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
dihydroxyacetone phosphate | [no description available] | medium | 1 | 0 | glycerone phosphates; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
resorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
coomassie brilliant blue r | [no description available] | medium | 1 | 0 | | |
pyrophosphate | [no description available] | medium | 2 | 0 | diphosphate ion | |
fenton's reagent | [no description available] | medium | 1 | 0 | | |
7-ethoxycoumarin | [no description available] | medium | 3 | 0 | aromatic ether; coumarins | |
9-(tetrahydro-2-furyl)-adenine | [no description available] | medium | 1 | 0 | | |
hoe 777 | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
isobutyric acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid | Daphnia magna metabolite; plant metabolite; volatile oil component |
manganese | [no description available] | medium | 4 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
web 2086 | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
bepafant | [no description available] | medium | 1 | 0 | | |
isopentenyladenosine | [no description available] | medium | 2 | 0 | N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue | antineoplastic agent; plant growth regulator; plant metabolite |
n(6)-(delta(2)-isopentenyl)adenine | [no description available] | medium | 2 | 0 | 6-isopentenylaminopurine | cytokinin |
substance p | [no description available] | medium | 2 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
lithium | [no description available] | medium | 15 | 0 | alkali metal atom | |
oleylamine | [no description available] | medium | 1 | 0 | | |
fluo-3 | [no description available] | medium | 4 | 0 | xanthene dye | fluorochrome |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 32 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
pifithrin | [no description available] | medium | 1 | 0 | aromatic ketone | |
podophyllin | [no description available] | medium | 4 | 0 | | |
cholecystokinin | [no description available] | medium | 2 | 0 | | |
brl 37344 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
1,2-dimethylhydrazine | [no description available] | medium | 3 | 0 | hydrazines | alkylating agent; carcinogenic agent |
methyldimethylaminoazobenzene | [no description available] | medium | 3 | 0 | | |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
s-nitrosocysteine | [no description available] | medium | 1 | 0 | L-cysteine derivative; nitrosothio compound | hematologic agent; platelet aggregation inhibitor; vasodilator agent |
8-bromocyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
ethylnitrosourea | [no description available] | medium | 5 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
icariin | [no description available] | medium | 1 | 0 | flavonols; glycosyloxyflavone | antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen |
ethidium | [no description available] | medium | 3 | 0 | phenanthridines | fluorochrome; intercalator |
glyceryl behenate | [no description available] | medium | 2 | 0 | 1-monoglyceride; fatty acid ester | antineoplastic agent; plant metabolite |
amoxicillin-potassium clavulanate combination | [no description available] | medium | 2 | 0 | | |
3,4,5,3',4'-pentachlorobiphenyl | [no description available] | medium | 1 | 0 | pentachlorobiphenyl; trichlorobenzene | |
pcb 118 | [no description available] | medium | 1 | 0 | dichlorobenzene; pentachlorobiphenyl; trichlorobenzene | |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
pyrethrins | [no description available] | medium | 2 | 0 | | |
zr 777 | [no description available] | medium | 1 | 0 | farnesane sesquiterpenoid; terminal acetylenic compound | juvenile hormone mimic |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
butenolide | [no description available] | medium | 1 | 0 | butenolide | |
dehydroretinal | [no description available] | medium | 1 | 0 | retinals | |
3-hydroxyretinol | [no description available] | medium | 1 | 0 | diol; retinoid | |
varespladib | [no description available] | medium | 2 | 0 | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor |
phorbol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; tertiary alcohol; tertiary alpha-hydroxy ketone; tetracyclic diterpenoid | |
phorbols | [no description available] | medium | 94 | 0 | diterpene; terpenoid fundamental parent | |
bromine | [no description available] | medium | 2 | 0 | diatomic bromine | |
dimethyl mercury | [no description available] | medium | 1 | 0 | methylmercury compound | |
n-acetylneuraminic acid | [no description available] | medium | 5 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
luminol | [no description available] | medium | 5 | 0 | | |
alcian blue | [no description available] | medium | 2 | 0 | | |
polidocanol | [no description available] | medium | 1 | 0 | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
11-(dansylamino)undecanoic acid | [no description available] | medium | 3 | 0 | naphthalenes; sulfonic acid derivative | |
dimyristoylphosphatidylcholine | [no description available] | medium | 3 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
1,2-dipalmitoylphosphatidylcholine | [no description available] | medium | 7 | 0 | | |
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | [no description available] | medium | 1 | 0 | alkylbenzene; ring assembly | |
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol | [no description available] | medium | 1 | 0 | | |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
deoxyribose | [no description available] | medium | 1 | 0 | deoxypentose | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
diallyl disulfide | [no description available] | medium | 1 | 0 | organic disulfide | antifungal agent; antineoplastic agent; plant metabolite |
3,5-diiodothyropropionic acid | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid; organoiodine compound; phenols | |
bq 123 | [no description available] | medium | 1 | 0 | cyclic peptide | |
methoxychlor | [no description available] | medium | 1 | 0 | organochlorine insecticide | |
naadp | [no description available] | medium | 3 | 0 | nicotinic acid dinucleotide | calcium channel agonist; metabolite; signalling molecule |
lometrexol | [no description available] | medium | 1 | 0 | | |
gallium | [no description available] | medium | 2 | 0 | boron group element atom | |
gallium chloride | [no description available] | medium | 2 | 0 | | |
alpha-hydroxyglutarate | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
pirarubicin | [no description available] | medium | 1 | 1 | anthracycline | |
dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
geranylgeranyl pyrophosphate | [no description available] | medium | 1 | 0 | geranylgeranyl diphosphate | mouse metabolite |
beta-ionone | [no description available] | medium | 3 | 0 | ionone | antioxidant; fragrance |
oxadiazoles | [no description available] | medium | 2 | 0 | | |
mtt formazan | [no description available] | medium | 2 | 0 | | |
formazans | [no description available] | medium | 3 | 0 | | |
fosbretabulin | [no description available] | medium | 1 | 0 | | |
guanosine | [no description available] | medium | 8 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
trifluoroacetic acid | [no description available] | medium | 3 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
anhydrovitamin a | [no description available] | medium | 3 | 0 | sesquiterpenoid | |
xenon | [no description available] | medium | 1 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
thiophenfurin | [no description available] | medium | 1 | 0 | | |
epibatidine | [no description available] | medium | 1 | 0 | | |
boc-d-fmk | [no description available] | medium | 1 | 0 | | |
boron | [no description available] | medium | 1 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
geldanamycin | [no description available] | medium | 1 | 0 | | |
guanosine monophosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
g(m3) ganglioside | [no description available] | medium | 2 | 0 | alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide | mouse metabolite |
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc | [no description available] | medium | 1 | 0 | amino tetrasaccharide; glucosamine oligosaccharide | epitope |
angiogenin | [no description available] | medium | 2 | 0 | | |
glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
sulfosalicylic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid; benzoic acids; phenols | metabolite |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
tin mesoporphyrin | [no description available] | medium | 2 | 0 | | |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
kn 62 | [no description available] | medium | 2 | 0 | piperazines | |
harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
azosemide | [no description available] | medium | 1 | 0 | monochlorobenzenes; sulfonamide; tetrazoles; thiophenes | loop diuretic |
myristyl nicotinate | [no description available] | medium | 2 | 1 | | |
6-methyl-2-(phenylethynyl)pyridine | [no description available] | medium | 1 | 0 | acetylenic compound; methylpyridines | anxiolytic drug; metabotropic glutamate receptor antagonist |
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound | Hsp90 inhibitor |
staurosporine aglycone | [no description available] | medium | 1 | 0 | | |
tyrphostin ag 1024 | [no description available] | medium | 1 | 0 | alkylbenzene | |
pyrimidine | [no description available] | medium | 1 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
calpastatin | [no description available] | medium | 3 | 0 | polypeptide | EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor |
3,4,3',4'-tetrachlorobiphenyl | [no description available] | medium | 1 | 0 | dichlorobenzene; tetrachlorobiphenyl | |
nonanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
amanitins | [no description available] | medium | 6 | 0 | | |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
adenosine diphosphate ribose | [no description available] | medium | 13 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
antipain | [no description available] | medium | 5 | 0 | | |
melitten | [no description available] | medium | 6 | 0 | | |
dimethylacetamide | [no description available] | medium | 5 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
retinol phosphate | [no description available] | medium | 5 | 0 | | |
3-hydroxy-3-methylglutaryl-coenzyme a | [no description available] | medium | 1 | 0 | 3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA | human metabolite; mouse metabolite |
meglutol | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol | anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite |
ethylphenylpropiolate | [no description available] | medium | 3 | 0 | | |
bromodeoxyuridylate | [no description available] | medium | 1 | 0 | | |
fluorodeoxyuridylate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | |
croton oil | [no description available] | medium | 7 | 0 | N-acyl-hexosamine | |
triethylene glycol | [no description available] | medium | 2 | 0 | diol; poly(ethylene glycol); primary alcohol | plasticiser |
teleocidin b-4 | [no description available] | medium | 11 | 0 | | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
gramicidin a | [no description available] | medium | 2 | 0 | | |
acetoxyacetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | carcinogenic agent; mutagen |
methyl methanesulfonate | [no description available] | medium | 3 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
butylhydroxybutylnitrosamine | [no description available] | medium | 11 | 0 | nitrosamine; primary alcohol | carcinogenic agent |
retinoyl fluoride | [no description available] | medium | 5 | 0 | | |
fenoctimine | [no description available] | medium | 1 | 0 | | |
methyl 2-tetradecylglycidate | [no description available] | medium | 1 | 0 | | |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 4 | 0 | 1,2-diglyceride | |
phenidone | [no description available] | medium | 1 | 0 | | |
n-(4-carboxyphenyl)retinamide | [no description available] | medium | 10 | 0 | | |
mezerein | [no description available] | medium | 19 | 0 | diterpenoid | |
8-azidoadenosine-3',5'-monophosphate | [no description available] | medium | 9 | 0 | | |
dexamethasone 21-phosphate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17-hydroxy steroid; 3-oxo-Delta(4) steroid; fluorinated steroid; steroid phosphate; tertiary alpha-hydroxy ketone | glucocorticoid receptor agonist |
n-formylmethionine | [no description available] | medium | 1 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
dibutylnitrosamine | [no description available] | medium | 2 | 0 | nitroso compound | |
12-o-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate | [no description available] | medium | 1 | 0 | | |
mannosylretinylphosphate | [no description available] | medium | 3 | 0 | retinoid | |
7-bromomethylbenzanthracene | [no description available] | medium | 1 | 0 | | |
n-hydroxyurethane | [no description available] | medium | 1 | 0 | | |
n-hexadecane | [no description available] | medium | 2 | 0 | long-chain alkane | non-polar solvent; plant metabolite; volatile oil component |
1-methylcyclohexanecarboxylic acid | [no description available] | medium | 1 | 0 | | |
w 7 | [no description available] | medium | 6 | 0 | | |
retinylidene dimedone | [no description available] | medium | 4 | 0 | | |
nitrosobis(2-oxopropyl)amine | [no description available] | medium | 3 | 0 | ketone; nitrosamine | carcinogenic agent |
dibutyryl cyclic gmp | [no description available] | medium | 3 | 0 | | |
dimethylhydrazines | [no description available] | medium | 3 | 0 | | |
11-hydroxyprogesterone | [no description available] | medium | 1 | 0 | | |
g(m2) ganglioside | [no description available] | medium | 1 | 0 | N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine; sialotriaosylceramide | antigen |
diepoxybutane | [no description available] | medium | 1 | 0 | epoxide | mutagen |
3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | 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 |
azacosterol | [no description available] | medium | 2 | 0 | | |
phorbol-12,13-didecanoate | [no description available] | medium | 4 | 0 | | |
mannose | [no description available] | medium | 14 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
mannans | [no description available] | medium | 2 | 0 | | |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
p-dimethylaminoazobenzene | [no description available] | medium | 1 | 0 | azobenzenes | |
uridine diphosphate glucuronic acid | [no description available] | medium | 1 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
canthaxanthin | [no description available] | medium | 9 | 0 | carotenone | biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite |
caloreen | [no description available] | medium | 1 | 0 | | |
rubidium | [no description available] | medium | 3 | 0 | alkali metal atom | |
alpha-ergocryptine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
ergotoxine | [no description available] | medium | 1 | 0 | | |
dolichol monophosphate mannose | [no description available] | medium | 5 | 0 | | |
fanft | [no description available] | medium | 3 | 0 | | |
nitrosobenzylmethylamine | [no description available] | medium | 6 | 0 | | |
azoxymethane | [no description available] | medium | 5 | 0 | | |
gamma-sitosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
cytellin | [no description available] | medium | 1 | 0 | | |
bisantrene | [no description available] | medium | 1 | 0 | anthracenes; hydrazone; imidazolidines | antineoplastic agent |
thymic factor, circulating | [no description available] | medium | 1 | 0 | | |
cyclamic acid | [no description available] | medium | 1 | 0 | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine; secondary amino compound | antioxidant |
2-isopropylaminoethanol | [no description available] | medium | 1 | 0 | | |
vitamin a2 | [no description available] | medium | 8 | 0 | retinoid; vitamin A | human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite |
diphenylhexatriene | [no description available] | medium | 1 | 0 | alkatriene | fluorochrome |
perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
tyloxapol | [no description available] | medium | 1 | 0 | | |
filipin | [no description available] | medium | 1 | 0 | | |
anft | [no description available] | medium | 1 | 0 | | |
butyl(3-carboxypropyl)nitrosamine | [no description available] | medium | 1 | 0 | monocarboxylic acid; nitrosamine | carcinogenic agent |
tosyllysine chloromethyl ketone | [no description available] | medium | 1 | 0 | sulfonic acid derivative | |
hemicholinium 3 | [no description available] | medium | 2 | 0 | | |
cytidine diphosphate choline | [no description available] | medium | 1 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
c.i. 42510 | [no description available] | medium | 2 | 0 | | |
l 451167 | [no description available] | medium | 1 | 0 | | |
dansylsarcosine | [no description available] | medium | 1 | 0 | | |
sarcosine | [no description available] | medium | 1 | 0 | N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
cephalosporin c | [no description available] | medium | 2 | 0 | cephalosporin | fungal metabolite |
phytic acid | [no description available] | medium | 1 | 0 | inositol phosphate | |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 2 | 0 | quinoxaline derivative | |
herbimycin | [no description available] | medium | 7 | 0 | 1,4-benzoquinones; lactam; macrocycle | antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor |
maitotoxin | [no description available] | medium | 1 | 0 | | |
1,25(oh)2-16-ene-23-yne-d3 | [no description available] | medium | 2 | 0 | | |
erbstatin | [no description available] | medium | 2 | 0 | | |
aminacrine | [no description available] | medium | 1 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
monensin | [no description available] | medium | 2 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
sepharose | [no description available] | medium | 7 | 0 | | |
5-dimethylaminonaphthalene-1-sulfonamide | [no description available] | medium | 1 | 0 | | |
20-hydroxy-5,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE; hydroxy monocarboxylic acid | human metabolite; mouse metabolite |
mirex | [no description available] | medium | 1 | 0 | chlorocarbon; organochlorine insecticide | persistent organic pollutant |
safingol | [no description available] | medium | 9 | 0 | amino alcohol | |
beta-escin | [no description available] | medium | 3 | 0 | | |
disuccinimidyl glutarate | [no description available] | medium | 1 | 0 | | |
cyanogen bromide | [no description available] | medium | 6 | 0 | | |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 2 | 0 | isoquinolines; sulfonamide | |
limonene | [no description available] | medium | 1 | 0 | cycloalkene; p-menthadiene | human metabolite |
copper sulfate | [no description available] | medium | 2 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
1-butanol | [no description available] | medium | 2 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
phosphatidylbutanol | [no description available] | medium | 2 | 0 | | |
barium | [no description available] | medium | 1 | 0 | alkaline earth metal atom; elemental barium | |
indo-1 | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
mimosine | [no description available] | medium | 1 | 0 | alpha-amino acid | |
tetraethylenepentamine | [no description available] | medium | 1 | 0 | polyazaalkane | copper chelator |
2-aminopurine | [no description available] | medium | 2 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
methylformamide | [no description available] | medium | 7 | 0 | formamides | |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 6 | 0 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
pirsidomine | [no description available] | medium | 1 | 0 | | |
hygromycin a | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | metabolite |
hygromycin b | [no description available] | medium | 1 | 0 | | |
naloxone benzoylhydrazone | [no description available] | medium | 1 | 0 | | |
dimyristoylmethylphosphatidic acid | [no description available] | medium | 1 | 0 | | |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
methionine sulfoximine | [no description available] | medium | 1 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
kt 5926 | [no description available] | medium | 1 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound; tertiary alcohol | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
bafilomycin a1 | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide antibiotic; oxanes | apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin |
dihydroxyphenylalanine | [no description available] | medium | 1 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
picryl chloride | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
4-bromophenacyl bromide | [no description available] | medium | 3 | 0 | | |
masoprocol | [no description available] | medium | 7 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 6 | 0 | nucleoside triphosphate analogue | |
alpha-chaconine | [no description available] | medium | 1 | 0 | glycoalkaloid; steroid saponin | |
edetic acid | [no description available] | medium | 1 | 0 | | |
solanine | [no description available] | medium | 1 | 0 | | |
solanidine | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; solanid-5-en-3-ol; steroid alkaloid fundamental parent | plant metabolite; toxin |
enkephalin, d-penicillamine (2,5)- | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
calmidazolium | [no description available] | medium | 1 | 0 | imidazolium ion | apoptosis inducer; calmodulin antagonist |
n,n-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine | [no description available] | medium | 1 | 0 | | |
thromboxane b2 | [no description available] | medium | 4 | 0 | thromboxanes B | human metabolite; mouse metabolite |
12-hydroxy-5,8,10-heptadecatrienoic acid | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; trienoic fatty acid | metabolite |
ammonium acetate | [no description available] | medium | 1 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
2-methylpentane | [no description available] | medium | 2 | 0 | alkane | |
5-hydroxytryptophan | [no description available] | medium | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
axerophthene | [no description available] | medium | 2 | 0 | diterpene; polyene | |
ro 13-6307 | [no description available] | medium | 4 | 0 | | |
phosphocreatine | [no description available] | medium | 1 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
angiotensinogen | [no description available] | medium | 2 | 0 | | |
ym 09151-2 | [no description available] | medium | 1 | 0 | N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide | |
quinpirole | [no description available] | medium | 1 | 0 | pyrazoloquinoline | dopamine agonist |
oltipraz | [no description available] | medium | 2 | 0 | 1,2-dithiole; pyrazines | angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug |
leukotriene c4 | [no description available] | medium | 2 | 0 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
notoginsenoside r1 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antioxidant; apoptosis inducer; neuroprotective agent; phytoestrogen; plant metabolite |
chiniofon | [no description available] | medium | 1 | 0 | | |
adenosine diphosphate | [no description available] | medium | 9 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
cholesteryl oleate | [no description available] | medium | 2 | 0 | CE(18:1); cholesteryl octadec-9-enoate | mouse metabolite |
n-bromoacetylthyroxine | [no description available] | medium | 1 | 0 | | |
dodecylmercaptan | [no description available] | medium | 1 | 0 | | |
ganglioside, gd1a | [no description available] | medium | 1 | 0 | | |
pentazocine | [no description available] | medium | 1 | 0 | benzazocine | |
tyrosyl-prolyl-leucyl-glycinamide | [no description available] | medium | 1 | 0 | | |
edatrexate | [no description available] | medium | 1 | 0 | glutamic acid derivative | |
tolonium chloride | [no description available] | medium | 1 | 0 | | |
pactamycin | [no description available] | medium | 1 | 0 | | |
deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
4-aminophenylmercuriacetate | [no description available] | medium | 2 | 0 | | |
phenylmercuric acetate | [no description available] | medium | 3 | 0 | arylmercury compound; benzenes | |
4-chloro-7-nitrobenzofurazan | [no description available] | medium | 1 | 0 | benzoxadiazole; C-nitro compound; organochlorine compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome |
n-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine | [no description available] | medium | 1 | 0 | N-acylsphingosine | fluorescent probe |
butyl phosphorotrithioate | [no description available] | medium | 1 | 0 | organic thiophosphate | defoliant |
2-aminoisobutyric acid | [no description available] | medium | 1 | 0 | 2,2-dialkylglycine zwitterion; 2,2-dialkylglycine | |
demecolcine | [no description available] | medium | 2 | 0 | alkaloid; secondary amino compound | antineoplastic agent; microtubule-destabilising agent |
14-hydroxy-4,14-retro-retinol | [no description available] | medium | 2 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 1 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
beta-endorphin | [no description available] | medium | 1 | 0 | | |
1-octanol | [no description available] | medium | 3 | 0 | octanol; primary alcohol | antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite |
sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
etorphine | [no description available] | medium | 1 | 0 | | |
buprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic |
muristerone a | [no description available] | medium | 2 | 0 | | |
mofarotene | [no description available] | medium | 5 | 0 | | |
sodium fluoride | [no description available] | medium | 5 | 0 | fluoride salt | mutagen |
5-dimethylamiloride | [no description available] | medium | 1 | 0 | | |
dihydrocytochalasin b | [no description available] | medium | 7 | 0 | | |
geranylgeranylacetone | [no description available] | medium | 1 | 0 | | |
cytidylyl-3'-5'-guanosine | [no description available] | medium | 1 | 0 | (3'->5')-dinucleotide | |
n-methylscopolamine | [no description available] | medium | 1 | 0 | | |
neotetrazolium | [no description available] | medium | 1 | 0 | | |
glucaric acid | [no description available] | medium | 7 | 0 | glucaric acid | antineoplastic agent |
tetramethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester; maleimides; phthalimide insecticide | pyrethroid ester insecticide |
i(3)so3-galactosylceramide | [no description available] | medium | 1 | 0 | galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine | |
raffinose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
desmosine | [no description available] | medium | 3 | 1 | aromatic amino acid | |
retinyl methyl ether | [no description available] | medium | 1 | 0 | | |
dansyl chloride | [no description available] | medium | 2 | 1 | aminonaphthalene; sulfonic acid derivative | |
n-hydroxysuccinimide suberic acid ester | [no description available] | medium | 1 | 0 | | |
deoxyuridine triphosphate | [no description available] | medium | 2 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite |
tetrabutylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
calcium pyrophosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
safranine t | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye |
2-naphthoic acid | [no description available] | medium | 1 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
angelmicin b | [no description available] | medium | 1 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 3 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
head activator peptide | [no description available] | medium | 1 | 0 | | |
lewis y antigen | [no description available] | medium | 2 | 0 | | |
rhodamine 123 | [no description available] | medium | 3 | 0 | organic cation; xanthene dye | fluorochrome |
medrogestone | [no description available] | medium | 1 | 1 | corticosteroid hormone | |
argon | [no description available] | medium | 1 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
tangeretin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
hydroxyhydroquinone | [no description available] | medium | 2 | 0 | benzenetriol | mouse metabolite |
ha 1004 | [no description available] | medium | 3 | 0 | isoquinolines | |
phenyl-n-tert-butylnitrone | [no description available] | medium | 1 | 0 | | |
tert-nitrosobutane | [no description available] | medium | 1 | 0 | | |
dichlororibofuranosylbenzimidazole | [no description available] | medium | 4 | 0 | | |
phytenic acid | [no description available] | medium | 1 | 0 | diterpenoid | |
3,4-didehydroretinyl acetate | [no description available] | medium | 2 | 0 | | |
nonoxynol | [no description available] | medium | 1 | 0 | | |
divinyl benzene | [no description available] | medium | 1 | 0 | styrenes | |
thymosin beta(4) | [no description available] | medium | 2 | 0 | | |
cytidine monophosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
1-arabinofuranosylcytosine-5'-stearylphosphate | [no description available] | medium | 1 | 0 | | |
hydroxylamine | [no description available] | medium | 2 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein | [no description available] | medium | 1 | 0 | | |
peptide yy | [no description available] | medium | 1 | 0 | | |
ro 31-8220 | [no description available] | medium | 1 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
4-hydroxymercuribenzoate | [no description available] | medium | 1 | 0 | | |
dithionitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid; organic disulfide | indicator |
alamethicin | [no description available] | medium | 1 | 0 | | |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
ici 164384 | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
pirinixil | [no description available] | medium | 1 | 0 | | |
scalaradial | [no description available] | medium | 1 | 0 | acetate ester; carbotetracyclic compound; dialdehyde; enal; scalarane sesterterpenoid | animal metabolite; anti-inflammatory agent; apoptosis inducer; EC 3.1.1.4 (phospholipase A2) inhibitor; marine metabolite; TRP channel blocker |
arachidonyltrifluoromethane | [no description available] | medium | 1 | 0 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
veratridine | [no description available] | medium | 2 | 0 | | |
sr 11302 | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes | antineoplastic agent; AP-1 antagonist |
fura-2 | [no description available] | medium | 4 | 0 | | |
fura-2-am | [no description available] | medium | 3 | 0 | | |
geranylgeraniol | [no description available] | medium | 1 | 0 | geranylgeraniol | |
gefarnate | [no description available] | medium | 1 | 0 | organic molecular entity | |
geranylfarnesol | [no description available] | medium | 1 | 0 | geranylfarnesol | |
13-cis-retinal | [no description available] | medium | 3 | 0 | retinal | human metabolite |
cystine | [no description available] | medium | 1 | 0 | | |
chelerythrine | [no description available] | medium | 3 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone | [no description available] | medium | 5 | 0 | dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols | eukaryotic metabolite; signalling molecule |
vindesine | [no description available] | medium | 1 | 0 | methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid | antineoplastic agent |
pyronine | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | histological dye |
7-aminoactinomycin d | [no description available] | medium | 1 | 0 | | |
2'-deoxyadenosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
ag 99 | [no description available] | medium | 1 | 0 | | |
ryanodine | [no description available] | medium | 1 | 0 | | |
neplanocin a | [no description available] | medium | 2 | 0 | | |
aniline mustard | [no description available] | medium | 1 | 0 | | |
differanisole a | [no description available] | medium | 1 | 0 | methoxybenzoic acid | |
isopropyl thiogalactoside | [no description available] | medium | 2 | 0 | S-glycosyl compound | |
aclarubicin | [no description available] | medium | 9 | 2 | aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion | antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
n-hexanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human urinary metabolite |
2-nonenal, (trans)-isomer | [no description available] | medium | 1 | 0 | enal; medium-chain fatty aldehyde; monounsaturated fatty aldehyde | plant metabolite |
tetraethylammonium | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
gastrin-releasing peptide | [no description available] | medium | 2 | 0 | | |
2,2'-azobis(2-amidinopropane) | [no description available] | medium | 1 | 0 | monoazo compound | |
8-chloro-cyclic adenosine monophosphate | [no description available] | medium | 5 | 0 | | |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
ammonium hydroxide | [no description available] | medium | 1 | 0 | inorganic hydroxy compound | food acidity regulator |
phosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
1,4-dihydropyridine | [no description available] | medium | 1 | 0 | | |
3,3'-dioctadecylindocarbocyanine | [no description available] | medium | 1 | 0 | Cy5 dye; indolium ion | fluorochrome |
carbocyanines | [no description available] | medium | 1 | 0 | cyanine dye; organic iodide salt | fluorochrome |
ginsenoside rh2 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite |
ginsenoside rh3 | [no description available] | medium | 1 | 0 | triterpenoid saponin | |
peroxynitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
omega-n-methylarginine | [no description available] | medium | 1 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
cgp 12177 | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
ethyl methanesulfonate | [no description available] | medium | 4 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent |
2,4-diaminobutyric acid | [no description available] | medium | 1 | 0 | diamino acid; gamma-amino acid; non-proteinogenic alpha-amino acid | |
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 |
4-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
digoxigenin | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
benzene | [no description available] | medium | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
elaidic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | food component |
1 alpha,24-dihydroxyvitamin d3 | [no description available] | medium | 1 | 0 | | |
lipofectamine | [no description available] | medium | 1 | 0 | | |
proanthocyanidin | [no description available] | medium | 1 | 0 | | |
butaprost | [no description available] | medium | 2 | 0 | | |
methenamine | [no description available] | medium | 1 | 0 | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
quaternium-15 | [no description available] | medium | 1 | 0 | | |
diazolidinylurea | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
15-hydroxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
13-hydroxy-9,11-octadecadienoic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid | |
phosphoadenosine phosphosulfate | [no description available] | medium | 1 | 0 | acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate | Escherichia coli metabolite; mouse metabolite |
adenosine 3'-phosphate-5'-phosphate | [no description available] | medium | 1 | 0 | adenosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
1,3-propane sultone | [no description available] | medium | 1 | 0 | sultone | |
propiolactone | [no description available] | medium | 1 | 0 | propan-3-olide | |
4-nitrophenyl beta-d-xyloside | [no description available] | medium | 1 | 0 | C-nitro compound; xyloside | chromogenic compound |
arabinofuranosylcytosine triphosphate | [no description available] | medium | 1 | 0 | | |
hymenialdisine | [no description available] | medium | 1 | 0 | | |
4-aminobenzoyl-glycyl-prolyl-leucyl-alanine hydroxamic acid | [no description available] | medium | 1 | 0 | | |
12-o-retinoylphorbol-13-acetate | [no description available] | medium | 3 | 0 | | |
dimethyl sulfate | [no description available] | medium | 2 | 0 | alkyl sulfate | alkylating agent; immunosuppressive agent |
antimycin a | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
oligomycins | [no description available] | medium | 1 | 0 | | |
dsp 4 | [no description available] | medium | 1 | 0 | | |
nafenopin | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid | |
citroxanthin | [no description available] | medium | 1 | 0 | xanthophyll | |
carboprostacyclin | [no description available] | medium | 2 | 0 | prostanoid | |
homoarginine | [no description available] | medium | 1 | 0 | homoarginine; L-lysine derivative; non-proteinogenic L-alpha-amino acid | biomarker; EC 3.1.3.1 (alkaline phosphatase) inhibitor; human metabolite; rat metabolite; xenobiotic metabolite |
acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
amitrole | [no description available] | medium | 1 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
arachidonic acid 5-hydroperoxide | [no description available] | medium | 1 | 0 | HPETE | human xenobiotic metabolite |
5'-amino-5'-deoxyadenosine | [no description available] | medium | 1 | 0 | | |
melarsoprol | [no description available] | medium | 2 | 0 | triazines | |
4-nitrophenylphosphate | [no description available] | medium | 1 | 0 | aryl phosphate | mouse metabolite |
tetranitromethane | [no description available] | medium | 1 | 0 | organonitrogen compound | |
tropolone | [no description available] | medium | 1 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
dithizone | [no description available] | medium | 2 | 0 | | |
beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone; enol; monoterpenoid | antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite |
16 alpha-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione | [no description available] | medium | 2 | 0 | | |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 2 | 0 | inositol phosphate | |
durapatite | [no description available] | medium | 1 | 0 | | |
dofequidar | [no description available] | medium | 1 | 0 | | |
stepholidine | [no description available] | medium | 1 | 0 | | |
perfluorodecanoic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | environmental contaminant; xenobiotic |
palmitoyl coenzyme a | [no description available] | medium | 1 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 1 | 0 | | |
ceramide 1-phosphate | [no description available] | medium | 1 | 0 | N-acylsphingosine 1-phosphate | |
pr 39 | [no description available] | medium | 1 | 0 | | |
stannane | [no description available] | medium | 1 | 0 | mononuclear parent hydride; tin hydride | |
androst-5-en-3-ol | [no description available] | medium | 1 | 0 | | |
thymidine 5'-diphosphate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
adp beta s | [no description available] | medium | 1 | 0 | | |
adenosine 5'-o-(1-thiodiphosphate) | [no description available] | medium | 1 | 0 | | |
methylprednisolone 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; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
beta-citrylglutamic acid | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid; tetracarboxylic acid | human metabolite; iron chelator |
carboxycinnamic acid bishydroxamide | [no description available] | medium | 2 | 0 | | |
6-n-propyluracil | [no description available] | medium | 1 | 0 | | |
pyroglutamyl-histidyl-glycine | [no description available] | medium | 2 | 0 | | |
iminodiacetic acid | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid | chelator |
liga 20 | [no description available] | medium | 1 | 0 | | |
ms 430 | [no description available] | medium | 1 | 0 | | |
diazomethane | [no description available] | medium | 2 | 0 | diazo compound | alkylating agent; antineoplastic agent; carcinogenic agent; poison |
allyl sulfide | [no description available] | medium | 1 | 0 | organic sulfide | |
2,3,7,8-tetrabromodibenzo-4-dioxin | [no description available] | medium | 1 | 0 | dibenzodioxine; organobromine compound | |
methylallyl trisulfide | [no description available] | medium | 1 | 0 | | |
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide | [no description available] | medium | 1 | 0 | epoxide | intercalator |
digitonin | [no description available] | medium | 1 | 0 | | |
coenzyme a | [no description available] | medium | 5 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
gangliotetraose | [no description available] | medium | 1 | 0 | | |
lithocholate 3-o-glucuronide | [no description available] | medium | 1 | 0 | | |
5,6-dichlorobenzimidazole | [no description available] | medium | 1 | 0 | | |
ici 118551 | [no description available] | medium | 1 | 0 | aromatic ether; indanes; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
st 271 | [no description available] | medium | 1 | 0 | | |
peptide i | [no description available] | medium | 1 | 0 | | |
menogaril | [no description available] | medium | 1 | 1 | | |
clasto-lactacystin beta-lactone | [no description available] | medium | 1 | 0 | | |
coomassie brilliant blue | [no description available] | medium | 1 | 0 | | |
flavin-adenine dinucleotide | [no description available] | medium | 2 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
succinic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; tetrahydrofurandione | |
farnesoic acid | [no description available] | medium | 1 | 0 | farnesoic acid | animal metabolite |
sodium cyanide | [no description available] | medium | 1 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
alpha-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
triphenylmethylphosphonium | [no description available] | medium | 1 | 0 | | |
5-aza-2'-deoxycytidine-5'-monophosphate | [no description available] | medium | 1 | 0 | | |
thiazolidine-4-carboxylic acid | [no description available] | medium | 3 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
3-(1-deoxyribofuranosyl)benzamide | [no description available] | medium | 1 | 0 | | |
2'-deoxycytidine 5'-triphosphate | [no description available] | medium | 1 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
2'-deoxyadenosine triphosphate | [no description available] | medium | 1 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
potassium cyanide | [no description available] | medium | 1 | 0 | cyanide salt; one-carbon compound; potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin |
aclacinomycin | [no description available] | medium | 2 | 0 | aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion | antimicrobial agent; antineoplastic agent; metabolite |
lufironil | [no description available] | medium | 1 | 0 | | |
n-acetyl-s-farnesylcysteine | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
ambrox | [no description available] | medium | 1 | 0 | naphthofuran | |
thymidine 5'-triphosphate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
n,n-dimethylarginine | [no description available] | medium | 1 | 0 | dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 1 | 0 | alpha-amino acid | |
carnosol | [no description available] | medium | 1 | 0 | diterpenoid | |
isoacteoside | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
pelargonic acid | [no description available] | medium | 1 | 1 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antifeedant; Daphnia magna metabolite; plant metabolite |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
ym 529 | [no description available] | medium | 1 | 0 | | |
fluocortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
chlorhexidine | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
4-chloromercuribenzenesulfonate | [no description available] | medium | 5 | 0 | arenesulfonic acid; arylmercury compound | |
nitrosomethylurethane | [no description available] | medium | 1 | 0 | carboxylic ester | |
phosphoribosyl pyrophosphate | [no description available] | medium | 1 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
lanthanum | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
uridine diphosphate galactose | [no description available] | medium | 3 | 0 | UDP-D-galactose | mouse metabolite |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound | metabolite |
enkephalin, methionine | [no description available] | medium | 2 | 0 | | |
preproenkephalin | [no description available] | medium | 1 | 0 | | |
1-ethyl-3-(3-dimethylaminoethyl)carbodiimide | [no description available] | medium | 1 | 0 | | |
carbodiimides | [no description available] | medium | 1 | 0 | carbodiimide | |
calyculin a | [no description available] | medium | 1 | 0 | | |
s-allylcysteine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine | antineoplastic agent; metabolite |
3-deazaaristeromycin | [no description available] | medium | 1 | 0 | | |
pn 202-791 | [no description available] | medium | 1 | 0 | benzoxadiazole; isopropyl ester | |
omega-conotoxin (conus magus) | [no description available] | medium | 1 | 0 | | |
ru-28362 | [no description available] | medium | 2 | 0 | | |
charybdotoxin | [no description available] | medium | 1 | 0 | | |
1,5-i-aedans | [no description available] | medium | 1 | 0 | aminonaphthalenesulfonic acid | fluorescent probe |
mitoguazone | [no description available] | medium | 3 | 1 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
lasalocid | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
myelopeptide 1 | [no description available] | medium | 1 | 0 | | |
1,2-dipalmitoyl-3-phosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
aldophosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
carboxyphosphamide | [no description available] | medium | 1 | 0 | nitrogen mustard | |
heptanol | [no description available] | medium | 1 | 0 | heptanol; primary alcohol | flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite |
griseolic acid | [no description available] | medium | 1 | 0 | | |
ly 117018 | [no description available] | medium | 1 | 0 | 1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols | bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator |
4-hydroxyclomiphene | [no description available] | medium | 1 | 0 | | |
tiotidine | [no description available] | medium | 1 | 0 | thiazoles | |
arginine | [no description available] | medium | 2 | 0 | | |
uridine diphosphate glucose | [no description available] | medium | 1 | 0 | UDP-D-glucose | fundamental metabolite |
guanosine diphosphate mannose | [no description available] | medium | 1 | 0 | GDP-D-mannose | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
naphthol as-d chloroacetate | [no description available] | medium | 1 | 0 | | |
dopachrome | [no description available] | medium | 1 | 0 | orthoquinones | |
glutaral | [no description available] | medium | 3 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
4'-deoxy-4'-iododoxorubicin | [no description available] | medium | 1 | 0 | organoiodine compound; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | |
16-fluoro-5-androsten-17-one | [no description available] | medium | 1 | 0 | | |
triiodothyronine, reverse | [no description available] | medium | 1 | 0 | 3,3',5'-triiodothyronine; amino acid zwitterion | |
sermorelin | [no description available] | medium | 1 | 0 | | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
n-nitrososarcosine ethyl ester | [no description available] | medium | 1 | 0 | | |
cholesteryl succinate | [no description available] | medium | 1 | 0 | cholestane ester; dicarboxylic acid monoester; hemisuccinate | detergent |
n-nitrosomorpholine | [no description available] | medium | 1 | 0 | nitrosamine | carcinogenic agent; mutagen |
acetylgalactosamine | [no description available] | medium | 1 | 0 | N-acetyl-D-hexosamine; N-acetylgalactosamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
tolfenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
forssman glycolipid | [no description available] | medium | 1 | 0 | | |
1,2-dioctanoylglycerol | [no description available] | medium | 2 | 0 | | |
dextrothyroxine | [no description available] | medium | 1 | 0 | | |
sapropterin | [no description available] | medium | 1 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
cholesteryl sulfate | [no description available] | medium | 6 | 0 | steroid sulfate | human metabolite |
piriprost | [no description available] | medium | 1 | 0 | | |
keratan sulfate | [no description available] | medium | 1 | 0 | | |
molybdenum | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
acridines | [no description available] | medium | 1 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
10,10'-dimethyl-9,9'-biacridinium | [no description available] | medium | 1 | 0 | | |
cbs 211 a | [no description available] | medium | 4 | 0 | | |
sarcophytol a | [no description available] | medium | 1 | 0 | cembrane diterpenoid | |
diadenosine tetraphosphate | [no description available] | medium | 1 | 0 | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
sulfuric acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | catalyst |
peplomycin | [no description available] | medium | 1 | 1 | glycopeptide | |
cromolyn sodium | [no description available] | medium | 1 | 0 | organic sodium salt | anti-asthmatic drug; drug allergen |
bryostatin 2 | [no description available] | medium | 2 | 0 | bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | antineoplastic agent; marine metabolite; protein kinase C agonist |
scarlet red | [no description available] | medium | 1 | 0 | azobenzenes; bis(azo) compound; naphthols | carcinogenic agent; fluorochrome; histological dye |
chrysotile | [no description available] | medium | 1 | 0 | | |
tetrahydrouridine | [no description available] | medium | 1 | 0 | | |
echothiophate iodide | [no description available] | medium | 1 | 0 | iodide salt; quaternary ammonium salt | antiglaucoma drug; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
demecarium | [no description available] | medium | 1 | 0 | carbamate ester; quaternary ammonium ion | |
tin | [no description available] | medium | 1 | 1 | carbon group element atom; elemental tin; metal atom | micronutrient |
diphenylcyclopropenone | [no description available] | medium | 1 | 1 | cyclopropenone | drug allergen; hapten; photosensitizing agent |
n-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)phosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
laminaran | [no description available] | medium | 1 | 0 | | |
erythritol | [no description available] | medium | 1 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
6-carboxyfluorescein | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
5-doxylstearate | [no description available] | medium | 1 | 0 | aminoxyls | |
7-doxylstearic acid | [no description available] | medium | 1 | 0 | | |
3,3',4,4',5,5'-hexabromobiphenyl | [no description available] | medium | 1 | 0 | | |
cyproterone acetate, ethinyl estradiol drug combination | [no description available] | medium | 2 | 0 | | |
azaguanine | [no description available] | medium | 2 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
androstane-3,17-diol glucuronide | [no description available] | medium | 1 | 0 | steroid ester | |
aplysiatoxin | [no description available] | medium | 1 | 0 | aplysiatoxins; bromophenol; cyclic hemiketal; ether; organic heterotricyclic compound; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
debromoaplysiatoxin | [no description available] | medium | 1 | 0 | aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal | algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist |
w 12 | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
n-(6-aminohexyl)-1-naphthalenesulfonamide | [no description available] | medium | 1 | 0 | naphthalenes; sulfonic acid derivative | |
nitrosobenzene | [no description available] | medium | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
2,2',2''-trichlorotriethylamine | [no description available] | medium | 1 | 0 | | |
3-methoxybenzamide | [no description available] | medium | 2 | 0 | | |
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid | [no description available] | medium | 1 | 0 | | |
n'-nitrosonornicotine | [no description available] | medium | 2 | 0 | pyridines; pyrrolidines | |
interleukin-1beta (163-171) | [no description available] | medium | 1 | 0 | | |
antibiotic g 418 | [no description available] | medium | 1 | 0 | | |
peptones | [no description available] | medium | 1 | 0 | | |
sodium cyanoborohydride | [no description available] | medium | 1 | 0 | | |
alpha-ionone | [no description available] | medium | 1 | 0 | enone; ionone; methyl ketone | |
n,n'-dinitrosopiperazine | [no description available] | medium | 1 | 0 | | |
1-methyl-4-(methylpyrrol-2-yl)-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | | |
whitfield's ointment | [no description available] | medium | 1 | 0 | | |
potassium permanganate | [no description available] | medium | 1 | 0 | | |
victoria blue b | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | fluorochrome; histological dye |
1-carboxyglutamic acid | [no description available] | medium | 1 | 0 | | |
benzyl-beta-d-xyloside | [no description available] | medium | 1 | 0 | | |
galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine; primary amino compound | toxin |
prostaglandin a2 | [no description available] | medium | 1 | 0 | prostaglandins A | human metabolite |
uridine diphosphate n-acetylgalactosamine | [no description available] | medium | 1 | 0 | nucleotide-sugar oxoanion | human metabolite |
sapogenins | [no description available] | medium | 1 | 0 | | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 1 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
cadmium sulfate | [no description available] | medium | 1 | 0 | cadmium salt | |
n-chlorotaurine | [no description available] | medium | 1 | 0 | | |
24,24-difluoro-1,25-dihydroxyvitamin d3 | [no description available] | medium | 1 | 0 | | |
retinyl stearate | [no description available] | medium | 1 | 0 | fatty acid ester | |
hypericum | [no description available] | medium | 1 | 0 | penicillanic acids | |
glyphosate | [no description available] | medium | 7 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
trolamine salicylate | [no description available] | medium | 16 | 0 | | |
eye | [no description available] | medium | 82 | 1 | | |
bassianolide | [no description available] | medium | 5 | 0 | cyclodepsipeptide; cyclooctadepsipeptide | antineoplastic agent; fungal metabolite; insecticide |
egg white | [no description available] | medium | 2 | 0 | | |
isomethyleugenol | [no description available] | medium | 74 | 0 | isomethyleugenol | |
apnea | [no description available] | medium | 1 | 0 | purine nucleoside | |
4-methoxyamphetamine | [no description available] | medium | 2 | 0 | | |
jaw | [no description available] | medium | 7 | 0 | indolecarboxamide | |
cetylpyridinium chloride anhydrous | [no description available] | medium | 3 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
fusarium | [no description available] | medium | 1 | 0 | | |
fomesafen | [no description available] | medium | 5 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
exudates | [no description available] | medium | 1 | 0 | | |
diospyros | [no description available] | medium | 1 | 0 | | |
sabinene | [no description available] | medium | 1 | 0 | thujene | plant metabolite |
inositol 3-phosphate | [no description available] | medium | 4 | 0 | | |
iodinated glycerol | [no description available] | medium | 1 | 0 | dioxolane | |
sodium ethylxanthate | [no description available] | medium | 1 | 0 | | |
rome | [no description available] | medium | 1 | 0 | 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol | EC 2.7.1.91 (sphingosine kinase) inhibitor |
torpedo | [no description available] | medium | 1 | 0 | | |
enerbol | [no description available] | medium | 1 | 0 | | |
protocatechuic acid | [no description available] | low | 0 | 0 | catechols; dihydroxybenzoic acid | antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite |
perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse metabolite |
aminopropionitrile | [no description available] | low | 0 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
7,8-dihydroxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone | antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist |
ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound | antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor |
am 251 | [no description available] | low | 0 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
buformin | [no description available] | low | 0 | 0 | biguanides | antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent |
camostat | [no description available] | low | 0 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
cl 387785 | [no description available] | low | 0 | 0 | bromobenzenes; quinazolines; secondary carboxamide; ynamide | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist |
dacarbazine | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; carcinogenic agent; prodrug |
dequalinium | [no description available] | low | 0 | 0 | quinolinium ion | antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor |
etanidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent |
6-anilino-5,8-quinolinedione | [no description available] | low | 0 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | low | 0 | 0 | benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
n(1), n(12)-diethylspermine | [no description available] | low | 0 | 0 | polyazaalkane; secondary amino compound; substituted spermine; tetramine | antineoplastic agent |
oxophenylarsine | [no description available] | low | 0 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
pipobroman | [no description available] | low | 0 | 0 | N-acylpiperazine; organobromine compound; tertiary carboxamide | alkylating agent; antineoplastic agent |
pj-34 | [no description available] | low | 0 | 0 | phenanthridines; secondary carboxamide; tertiary amino compound | angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent |
semustine | [no description available] | low | 0 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent |
SU6656 | [no description available] | low | 0 | 0 | oxindoles; sulfonamide | antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
2,2'-thiodiethanol | [no description available] | low | 0 | 0 | aliphatic sulfide; diol | antineoplastic agent; antioxidant; metabolite; solvent |
mechlorethamine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent |
allyl isothiocyanate | [no description available] | low | 0 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
dromostanolone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid | anabolic agent; antineoplastic agent |
triaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
acetopyrrothine | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin |
dibenzoylmethane | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone | antimutagen; antineoplastic agent; metabolite |
diazooxonorleucine | [no description available] | low | 0 | 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 |
naphthazarin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone | acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite |
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 |
lucanthone | [no description available] | low | 0 | 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 |
physcione | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
toyocamycin | [no description available] | low | 0 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside | antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite |
hadacidin | [no description available] | low | 0 | 0 | aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid | antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent |
2-fluoroadenine | [no description available] | low | 0 | 0 | organofluorine compound; purines | antineoplastic agent |
guanazole | [no description available] | low | 0 | 0 | aromatic amine; triazoles | antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor |
diallyl trisulfide | [no description available] | low | 0 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
phenethyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate | antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite |
glaucine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound | antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite |
mitomycin a | [no description available] | low | 0 | 0 | ether; mitomycin | alkylating agent; antimicrobial agent; antineoplastic agent; toxin |
tabersonine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antineoplastic agent; metabolite |
ancitabine | [no description available] | low | 0 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
streptozocin | [no description available] | low | 0 | 0 | N-acylglucosamine; N-nitrosoureas | antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite |
2,6-diaminopurine | [no description available] | low | 0 | 0 | 2,6-diaminopurines; primary amino compound | antineoplastic agent |
silybin | [no description available] | low | 0 | 0 | aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite |
promegestone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
perfosfamide | [no description available] | low | 0 | 0 | nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide | alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite |
nimustine | [no description available] | low | 0 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
diaziquone | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; carbamate ester; enamine | alkylating agent; antineoplastic agent |
midazolam hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; imidazobenzodiazepine | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
fazarabine | [no description available] | low | 0 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
nitrogenase stabilizing-protective protein, bacteria | [no description available] | low | 0 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | androgen antagonist; antineoplastic agent |
bmy 25067 | [no description available] | low | 0 | 0 | C-nitro compound; organic disulfide | antineoplastic agent |
brequinar | [no description available] | low | 0 | 0 | biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
nelfinavir mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antineoplastic agent; HIV protease inhibitor |
ro 5-3335 | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound; pyrroles | anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor |
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | low | 0 | 0 | gallate ester; galloyl beta-D-glucose | anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger |
triptonide | [no description available] | low | 0 | 0 | butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound | anti-inflammatory agent; antineoplastic agent; immunosuppressive agent |
3'-deoxyadenosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate | antifungal agent; antimetabolite; antineoplastic agent; antiviral agent |
toxoflavin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor |
lupulon | [no description available] | low | 0 | 0 | beta-bitter acid | angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer |
ethinylestradiol-3-sulfate | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; steroid sulfate | antineoplastic agent; estrogen |
lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid; monochlorobenzenes; pyrazoles | antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
bromopyruvate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid | alkylating agent; antineoplastic agent |
dw a 2114r | [no description available] | low | 0 | 0 | platinum coordination entity; pyrrolidines | antineoplastic agent |
prednisolone phosphate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone | anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug |
sesamin | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
alantolactone | [no description available] | low | 0 | 0 | naphthofuran; olefinic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
kaurenoic acid | [no description available] | low | 0 | 0 | ent-kaurane diterpenoid | anti-HIV-1 agent; antineoplastic agent; plant metabolite |
xanthomicrol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
voacamine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; plant metabolite |
brazilin | [no description available] | low | 0 | 0 | catechols; organic heterotetracyclic compound; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite |
uvaretin | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyketide; resorcinol | antineoplastic agent; plant metabolite |
maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite |
tetrazolium violet | [no description available] | low | 0 | 0 | organic chloride salt | antineoplastic agent; apoptosis inducer; dye |
irinotecan hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug |
5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent |
hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines; one-carbon compound | antineoplastic agent; antiviral agent |
cryptolepine | [no description available] | low | 0 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound | anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite |
3,4-dihydroxyphenylethanol | [no description available] | low | 0 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
terreic acid | [no description available] | low | 0 | 0 | arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin |
4-methylumbelliferyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; coumarins; monosaccharide derivative | antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor |
9-hydroxyellipticine | [no description available] | low | 0 | 0 | organic heterotetracyclic compound; organonitrogen heterocyclic compound | antineoplastic agent |
beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; plant metabolite |
alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols | antineoplastic agent; metabolite |
cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | antineoplastic agent; antiviral agent; protein synthesis inhibitor |
sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols | antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger |
eupatorin | [no description available] | low | 0 | 0 | dihydroxyflavone; polyphenol; trimethoxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent |
1-methyltryptophan | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; tryptophan derivative | antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor |
atromentin | [no description available] | low | 0 | 0 | dihydroxy-1,4-benzoquinones; polyphenol | antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite |
alpha-glutamyltryptophan | [no description available] | low | 0 | 0 | dipeptide | angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite |
sn 38 | [no description available] | low | 0 | 0 | delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol | antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
hc toxin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; tetrapeptide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin |
kahweol | [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; plant metabolite |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; selenocysteines | antineoplastic agent; human metabolite |
tephrosin | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; pesticide |
5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether; furoic acid | antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist |
sc 58125 | [no description available] | low | 0 | 0 | organofluorine compound; pyrazoles; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor |
dioscin | [no description available] | low | 0 | 0 | hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative | anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite |
trapoxin a | [no description available] | low | 0 | 0 | epoxide; homodetic cyclic peptide; ketone | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite |
aminolevulinic acid hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug |
cgp 42112a | [no description available] | low | 0 | 0 | benzyl ester; oligopeptide; pyridinecarboxamide | angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent |
vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid; xanthones | antineoplastic agent |
rubimaillin | [no description available] | low | 0 | 0 | benzochromene; methyl ester; phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite |
4-carbamoylimidazolium 5-olate | [no description available] | low | 0 | 0 | hydroxyimidazole; monocarboxylic acid amide | antineoplastic agent |
nsc 224070 | [no description available] | low | 0 | 0 | 1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound | alkylating agent; antineoplastic agent |
psorospermin | [no description available] | low | 0 | 0 | epoxide; organic heterotetracyclic compound; xanthones | antineoplastic agent; plant metabolite |
ay 25545 | [no description available] | low | 0 | 0 | acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
3,7-dihydroxytropolone | [no description available] | low | 0 | 0 | alpha-hydroxy ketone; cyclic ketone; enol; triol | antineoplastic agent; bacterial metabolite |
delphinidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; biological pigment; plant metabolite |
saintopin | [no description available] | low | 0 | 0 | tetracenequinones | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator |
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene | [no description available] | low | 0 | 0 | monoterpenoid; organobromine compound; organochlorine compound | algal metabolite; antineoplastic agent; marine metabolite |
yakuchinone-a | [no description available] | low | 0 | 0 | ketone; monomethoxybenzene; phenols | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
lonafarnib | [no description available] | low | 0 | 0 | 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
6-azauridine-5'-monophosphate | [no description available] | low | 0 | 0 | N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue | antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
ptk 787 | [no description available] | low | 0 | 0 | succinate salt | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
cyc 682 | [no description available] | low | 0 | 0 | nitrile; nucleoside analogue; secondary carboxamide | antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug |
canertinib | [no description available] | low | 0 | 0 | monochlorobenzenes; morpholines; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
aklavinone | [no description available] | low | 0 | 0 | anthracycline; methyl ester; tertiary alcohol; tetracenequinones | antineoplastic agent |
actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound | antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
anonaine | [no description available] | low | 0 | 0 | aporphine alkaloid; organic heteropentacyclic compound; oxacycle | antineoplastic agent; antiplasmodial drug; trypanocidal drug |
4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols | antineoplastic agent; antioxidant; immunosuppressive agent; plant 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 |
deferrioxamine e | [no description available] | low | 0 | 0 | cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle | antineoplastic agent; bacterial metabolite; marine metabolite; siderophore |
methylselenic acid | [no description available] | low | 0 | 0 | one-carbon compound; organoselenium compound | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite |
acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester; monocarboxylic acid; pentacyclic triterpenoid | antineoplastic agent; plant metabolite |
withanolide d | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide | antineoplastic agent |
myricanone | [no description available] | low | 0 | 0 | aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols | antineoplastic agent; plant metabolite |
cirsilineol | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
pannarin | [no description available] | low | 0 | 0 | aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols | antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite |
6-methylthiohexyl isothiocyanate | [no description available] | low | 0 | 0 | isothiocyanate; methyl sulfide | antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent |
pectolinarin | [no description available] | low | 0 | 0 | dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside | anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite |
albicanol | [no description available] | low | 0 | 0 | carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid | antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite |
5-o-methylembelin | [no description available] | low | 0 | 0 | enol ether; monohydroxy-1,4-benzoquinones | antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite |
asperphenamate | [no description available] | low | 0 | 0 | benzamides; carboxylic ester; L-phenylalanine derivative | antineoplastic agent |
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 |
helioxanthin | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | anti-HBV agent; antineoplastic agent; plant metabolite |
top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
5-heptadecylresorcinol | [no description available] | low | 0 | 0 | 5-alkylresorcinol | antineoplastic agent; plant metabolite |
minquartynoic acid | [no description available] | low | 0 | 0 | acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne | antimalarial; antineoplastic agent; antiviral agent |
scutellarin | [no description available] | low | 0 | 0 | glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | antineoplastic agent; proteasome inhibitor |
ergolide | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite |
2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol; phenols | antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite |
chrysosplenol c | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; antiviral agent; plant metabolite |
lanperisone | [no description available] | low | 0 | 0 | 2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one | antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker |
orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid; oxindoles; pyrroles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
firocoxib | [no description available] | low | 0 | 0 | butenolide; cyclopropanes; enol ether; sulfone | antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
2-(4-morpholinoanilino)-6-cyclohexylaminopurine | [no description available] | low | 0 | 0 | morpholines; purines; secondary amino compound; tertiary amino compound | adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent |
lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether; N-alkylpyrrolidine; naphthols; tetralins | antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist |
l 778,123 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent |
l 778,123 | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor |
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide | [no description available] | low | 0 | 0 | chloroindole; organochlorine compound; sulfonamide | antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
diflomotecan | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
dromostanolone propionate | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; steroid ester | antineoplastic agent |
elesclomol | [no description available] | low | 0 | 0 | carbohydrazide; thiocarbonyl compound | antineoplastic agent; apoptosis inducer |
rocaglamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound | antileishmanial agent; antineoplastic agent; metabolite |
anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes | antineoplastic agent; apoptosis inducer; plant metabolite |
acronine | [no description available] | low | 0 | 0 | acridone derivatives; alkaloid | antineoplastic agent; metabolite |
taiwanin c | [no description available] | low | 0 | 0 | benzodioxoles; furonaphthodioxole; lignan | antineoplastic agent; plant metabolite; platelet aggregation inhibitor |
gant 61 | [no description available] | low | 0 | 0 | aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound | antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor |
carnosine | [no description available] | low | 0 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
canaline | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
hippeastrine | [no description available] | low | 0 | 0 | delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol | antineoplastic agent; metabolite |
peonidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antineoplastic agent; antioxidant; apoptosis inducer; metabolite |
glaucarubinone | [no description available] | low | 0 | 0 | carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol | antimalarial; antineoplastic agent; geroprotector; plant metabolite |
helveticoside | [no description available] | low | 0 | 0 | 14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenoside rf | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols | antibacterial agent; antineoplastic agent; plant metabolite; protective agent |
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 |
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 |
eugeniin | [no description available] | low | 0 | 0 | beta-D-glucoside; ellagitannin; gallate ester; lactone | anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
knipholone | [no description available] | low | 0 | 0 | aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols | antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite |
mucronulatol | [no description available] | low | 0 | 0 | hydroxyisoflavans; methoxyisoflavan | antineoplastic agent; plant metabolite |
syringaresinol | [no description available] | low | 0 | 0 | syringaresinol | antineoplastic agent |
enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide; peptide zwitterion | analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist |
surfactin c | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant |
kerriamycin b | [no description available] | low | 0 | 0 | angucycline antibiotic | antineoplastic agent |
carubicin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones | antineoplastic agent; apoptosis inducer |
formycin | [no description available] | low | 0 | 0 | formycin | antineoplastic agent |
neocarzinostatin chromophore | [no description available] | low | 0 | 0 | cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester | antineoplastic agent |
n(1)-guanyl-1,7-diaminoheptane | [no description available] | low | 0 | 0 | guanidines; primary amino compound | antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
bms 214662 | [no description available] | low | 0 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound | antineoplastic agent; Hsp90 inhibitor |
antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound | angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite |
xanthohumol | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite |
vedelianin | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; plant metabolite |
iFSP1 | [no description available] | low | 0 | 0 | aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes | antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor |
4-iodo-6-phenylpyrimidine | [no description available] | low | 0 | 0 | biaryl; organoiodine compound; pyrimidines | antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor |
oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
cct018159 | [no description available] | low | 0 | 0 | benzodioxine; pyrazoles; resorcinols | antineoplastic agent; apoptosis inducer; Hsp90 inhibitor |
xl147 | [no description available] | low | 0 | 0 | aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
mcb-613 | [no description available] | low | 0 | 0 | cyclic ketone; enone; pyridines | antineoplastic agent; steroid receptor coactivator stimulator |
stattic | [no description available] | low | 0 | 0 | 1-benzothiophenes; C-nitro compound; sulfone | antineoplastic agent; radiosensitizing agent; STAT3 inhibitor |
10058-F4 | [no description available] | low | 0 | 0 | olefinic compound; thiazolidinone | antineoplastic agent; apoptosis inducer |
beauvericin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor |
bms 387032 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
manool | [no description available] | low | 0 | 0 | labdane diterpenoid; tertiary alcohol | antibacterial agent; antineoplastic agent; plant metabolite |
amrubicin | [no description available] | low | 0 | 0 | anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes | antineoplastic agent; prodrug; topoisomerase II inhibitor |
ospemifene | [no description available] | low | 0 | 0 | aromatic ether; organochlorine compound; primary alcohol | anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator |
tandutinib | [no description available] | low | 0 | 0 | aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
bigelovin | [no description available] | low | 0 | 0 | acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
alsterpaullone | [no description available] | low | 0 | 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 |
ginkgetin | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavone; methoxyflavone; ring assembly | anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
eupatilin | [no description available] | low | 0 | 0 | dihydroxyflavone; trimethoxyflavone | anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite |
herbacetin | [no description available] | low | 0 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite |
chrysoeriol | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; antioxidant; metabolite |
dexmedetomidine | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; metabolite |
bryostatin 1 | [no description available] | low | 0 | 0 | acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol | alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist |
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | [no description available] | low | 0 | 0 | prostaglandins J; secondary alcohol | antineoplastic agent; antiviral agent |
pyrvinium | [no description available] | low | 0 | 0 | quinolinium ion | anthelminthic drug; antineoplastic agent |
cyclobenzaprine | [no description available] | low | 0 | 0 | 9,11,13-octadecatrienoic acid | antineoplastic agent; plant metabolite |
cucurbitacin i | [no description available] | low | 0 | 0 | cucurbitacin; tertiary alpha-hydroxy ketone | antineoplastic agent; plant metabolite |
daphnoretin | [no description available] | low | 0 | 0 | aromatic ether; hydroxycoumarin | antineoplastic agent; antiviral agent; metabolite |
costunolide | [no description available] | low | 0 | 0 | germacranolide; heterobicyclic compound | anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite |
eupatolide | [no description available] | low | 0 | 0 | gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol | antineoplastic agent; plant metabolite |
oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | antineoplastic agent; metabolite; neuroprotective agent |
hispidulin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite |
gartanin | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; plant metabolite |
norathyriol | [no description available] | low | 0 | 0 | polyphenol; xanthones | antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
morusin | [no description available] | low | 0 | 0 | extended flavonoid; trihydroxyflavone | antineoplastic agent; plant metabolite |
tricetin | [no description available] | low | 0 | 0 | pentahydroxyflavone | antineoplastic agent; metabolite |
astringin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | antineoplastic agent; antioxidant; 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 |
irilone | [no description available] | low | 0 | 0 | hydroxyisoflavone; organic heterotricyclic compound; oxacycle | antineoplastic agent; immunomodulator; metabolite |
maytansine | [no description available] | low | 0 | 0 | alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound | antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator |
tectochrysin | [no description available] | low | 0 | 0 | monohydroxyflavone; monomethoxyflavone | antidiarrhoeal drug; antineoplastic agent; plant metabolite |
plaunotol | [no description available] | low | 0 | 0 | diterpenoid; primary alcohol | anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary |
tocotrienol, beta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; apoptosis inducer; plant metabolite |
gamma-tocotrienol | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent |
tocotrienol, delta | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite |
9,11-linoleic acid | [no description available] | low | 0 | 0 | octadeca-9,11-dienoic acid | anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite |
camostat mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
3',4',7-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
centaureidin | [no description available] | low | 0 | 0 | trihydroxyflavone; trimethoxyflavone | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite |
3,3'-di-o-methylquercetin | [no description available] | low | 0 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
ethyl caffeate | [no description available] | low | 0 | 0 | alkyl caffeate ester; ethyl ester; hydroxycinnamic acid | anti-inflammatory agent; antineoplastic agent; metabolite |
isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite |
cudraflavone c | [no description available] | low | 0 | 0 | tetrahydroxyflavone | antibacterial agent; antineoplastic agent; plant metabolite |
neobavaisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor |
neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether; coumestans; delta-lactone; polyphenol | antineoplastic agent; plant metabolite |
spiraeoside | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antineoplastic agent; antioxidant; plant metabolite |
rhamnazin | [no description available] | low | 0 | 0 | aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone | antineoplastic agent; plant metabolite |
oridonin | [no description available] | low | 0 | 0 | cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol | angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
pd 166866 | [no description available] | low | 0 | 0 | biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
reumycin | [no description available] | low | 0 | 0 | carbonyl compound; pyrimidotriazine | antimicrobial agent; antineoplastic agent; bacterial metabolite |
ergosterol-5,8-peroxide | [no description available] | low | 0 | 0 | 3beta-sterol; ergostanoid; organic peroxide; phytosterols | antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug |
ermanin | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite |
romidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide; heterocyclic antibiotic; organic disulfide | antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor |
sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide; monocarboxylic acid; organofluorine compound | antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug |
macluraxanthone b | [no description available] | low | 0 | 0 | phenols; xanthones | anti-HIV agent; antineoplastic agent; metabolite |
tamsulosin hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | alpha-adrenergic antagonist; antineoplastic agent |
jaceosidin | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite |
5,7,3'-trihydroxy-3,4'-dimethoxyflavone | [no description available] | low | 0 | 0 | dimethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
pederin | [no description available] | low | 0 | 0 | cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide | antimitotic; antineoplastic agent; bacterial metabolite; vesicant |
artocarpin lectin | [no description available] | low | 0 | 0 | monomethoxyflavone; trihydroxyflavone | antineoplastic agent; metabolite |
cisplatin | [no description available] | low | 0 | 0 | diamminedichloroplatinum | antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent |
beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
gamma-mangostin | [no description available] | low | 0 | 0 | phenols; xanthones | antineoplastic agent; plant metabolite; protein kinase inhibitor |
demethoxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antineoplastic agent; metabolite |
cystothiazole a | [no description available] | low | 0 | 0 | 1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic | antifungal agent; antineoplastic agent; bacterial metabolite |
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 |
baohuoside i | [no description available] | low | 0 | 0 | glycosyloxyflavone | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite |
arglabin | [no description available] | low | 0 | 0 | epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone | antineoplastic agent; metabolite |
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one | [no description available] | low | 0 | 0 | enone; pyridines | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor |
ma-1 | [no description available] | low | 0 | 0 | carboxamidine; organochlorine compound; pyrimidone; pyrrolidines | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
apratoxin a | [no description available] | low | 0 | 0 | 1,3-thiazoles; apratoxin | antineoplastic agent; metabolite |
coronardine | [no description available] | low | 0 | 0 | alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound | antileishmanial agent; antineoplastic agent; apoptosis inducer; 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 |
columbianadin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester; furanocoumarin | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite |
germacrone | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid; olefinic compound | androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component |
rhizoxin | [no description available] | low | 0 | 0 | 1,3-oxazoles; epoxide; macrolide antibiotic | antimitotic; antineoplastic agent; metabolite |
sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine | antineoplastic agent; bacterial metabolite |
manumycin | [no description available] | low | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite |
asukamycin | [no description available] | low | 0 | 0 | enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent; human xenobiotic metabolite; mouse 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 |
l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
manzamine a | [no description available] | low | 0 | 0 | alkaloid; beta-carbolines; isoquinolines | animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite |
aureothin | [no description available] | low | 0 | 0 | 4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes | antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor |
fostriecin | [no description available] | low | 0 | 0 | 2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor |
ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone | anti-estrogen; antineoplastic agent; estrogen receptor antagonist |
soblidotin | [no description available] | low | 0 | 0 | tetrapeptide | antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
beta-elemene | [no description available] | low | 0 | 0 | beta-elemene | antineoplastic agent |
laulimalide | [no description available] | low | 0 | 0 | carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol | animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent |
on 01910 | [no description available] | low | 0 | 0 | N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine | antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent |
rhosin | [no description available] | low | 0 | 0 | D-tryptophan derivative; hydrazone; quinoxaline derivative | antineoplastic agent; RhoA inhibitor; RhoC inhibitor |
2-hydroxy-9-cis-octadecenoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid | antihypertensive agent; antineoplastic agent; apoptosis inducer |
dolastatin 10 | [no description available] | low | 0 | 0 | 1,3-thiazoles; tetrapeptide | animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent |
plitidepsin | [no description available] | low | 0 | 0 | didemnin | anticoronaviral agent; antineoplastic agent; marine metabolite |
abiraterone acetate | [no description available] | low | 0 | 0 | pyridines; sterol ester | antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug |
lenvatinib | [no description available] | low | 0 | 0 | aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist |
nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound | antineoplastic agent |
jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; phenols | actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent |
muromonab-cd3 | [no description available] | low | 0 | 0 | alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite |
ginsenoside m1 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite |
cabazitaxel | [no description available] | low | 0 | 0 | tetracyclic diterpenoid | antineoplastic agent; microtubule-stabilising agent |
elisidepsin | [no description available] | low | 0 | 0 | cyclodepsipeptide | antineoplastic agent |
fr 148083 | [no description available] | low | 0 | 0 | aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone | antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor |
tln 4601 | [no description available] | low | 0 | 0 | dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol | antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor |
scio-469 | [no description available] | low | 0 | 0 | aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
tmc-95a | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor |
cp 724714 | [no description available] | low | 0 | 0 | 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent |
9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
topopyrone c | [no description available] | low | 0 | 0 | naphthochromene; p-quinones; phenols | antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite |
pi103 | [no description available] | low | 0 | 0 | aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride | [no description available] | low | 0 | 0 | hydrochloride; iminium salt | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
fty 720p | [no description available] | low | 0 | 0 | monoalkyl phosphate; primary alcohol; primary amino compound | antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist |
hmr 1275 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
zm 447439 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor |
ginsenoside f2 | [no description available] | low | 0 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
es-285 | [no description available] | low | 0 | 0 | amino alcohol; sphingoid | antineoplastic agent |
nidulalin a | [no description available] | low | 0 | 0 | methyl ester; phenols; xanthones | antimicrobial agent; antineoplastic agent; Penicillium metabolite |
hypothemycin | [no description available] | low | 0 | 0 | aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone | antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite |
rucaparib | [no description available] | low | 0 | 0 | azepinoindole; caprolactams; organofluorine compound; secondary amino compound | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
jte 607 | [no description available] | low | 0 | 0 | hydrochloride | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug |
npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antibacterial agent; antineoplastic agent; metabolite |
NNC 55-0396 (free base) | [no description available] | low | 0 | 0 | benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
sch 51344 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound | antineoplastic agent |
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid | anti-inflammatory agent; antineoplastic agent; plant metabolite |
osu 03012 | [no description available] | low | 0 | 0 | antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cerberin | [no description available] | low | 0 | 0 | acetate ester; cardenolide glycoside; monosaccharide derivative | antineoplastic agent; metabolite |
pateamine a | [no description available] | low | 0 | 0 | 1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound | antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite |
6-hydroxytaxol | [no description available] | low | 0 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent |
masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines | antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor |
avenanthramide b | [no description available] | low | 0 | 0 | amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide | antineoplastic agent; apoptosis inducer; phytoalexin |
ageladine a | [no description available] | low | 0 | 0 | alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite |
ly-2157299 | [no description available] | low | 0 | 0 | aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines | antineoplastic agent; TGFbeta receptor antagonist |
azd2858 | [no description available] | low | 0 | 0 | aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide | antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator |
bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound | antineoplastic agent; tyrosine kinase inhibitor |
bl1521 | [no description available] | low | 0 | 0 | enamide; hydroxamic acid; monocarboxylic acid amide | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
jte 013 | [no description available] | low | 0 | 0 | chloropyridine; pyrazolopyridine | anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist |
holomycin | [no description available] | low | 0 | 0 | acetamides; dithiolopyrrolone antibiotic | antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite |
binimetinib | [no description available] | low | 0 | 0 | benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
aee 788 | [no description available] | low | 0 | 0 | 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug |
saracatinib | [no description available] | low | 0 | 0 | aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound | anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent |
crenolanib | [no description available] | low | 0 | 0 | aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
trilobacin | [no description available] | low | 0 | 0 | butenolide; polyketide; triol | antineoplastic agent; plant metabolite |
manassantin b | [no description available] | low | 0 | 0 | benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol | antineoplastic agent; metabolite |
pha 665752 | [no description available] | low | 0 | 0 | dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide | antineoplastic agent; c-Met tyrosine kinase inhibitor |
PB28 | [no description available] | low | 0 | 0 | aromatic ether; piperazines; tetralins | anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist |
tmc-95b | [no description available] | low | 0 | 0 | indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol | antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor |
fr 901464 | [no description available] | low | 0 | 0 | acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide | antimicrobial agent; antineoplastic agent; bacterial metabolite |
homocamptothecin | [no description available] | low | 0 | 0 | epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor |
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol | antineoplastic agent; metabolite |
jaspamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; organobromine compound | animal metabolite; antineoplastic agent; marine metabolite |
ossamycin | [no description available] | low | 0 | 0 | cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol | antineoplastic agent; bacterial metabolite |
nigranoic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; tetracyclic triterpenoid | antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite |
esculeoside a | [no description available] | low | 0 | 0 | azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin | antineoplastic agent; metabolite |
azadirone | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | antineoplastic agent; antiplasmodial drug; plant metabolite |
iejimalide b | [no description available] | low | 0 | 0 | ether; formamides; macrolide | antineoplastic agent; marine metabolite |
migrastatin | [no description available] | low | 0 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
cembra-2,7,11-triene-4,6-diol | [no description available] | low | 0 | 0 | cembrane diterpenoid | antineoplastic agent |
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one | [no description available] | low | 0 | 0 | polyphenol; xanthones | anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite |
regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
at 7867 | [no description available] | low | 0 | 0 | monochlorobenzenes; piperidines; pyrazoles | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
ym 155 | [no description available] | low | 0 | 0 | organic bromide salt | antineoplastic agent; apoptosis inducer; survivin suppressant |
bielschowskysin | [no description available] | low | 0 | 0 | acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound | antimalarial; antineoplastic agent; metabolite |
erastin | [no description available] | low | 0 | 0 | aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide | antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor |
brivanib | [no description available] | low | 0 | 0 | aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist |
rx-3117 | [no description available] | low | 0 | 0 | organofluorine compound; primary allylic alcohol; triol | antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug |
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 |
spiculoic acid a | [no description available] | low | 0 | 0 | carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes | antineoplastic agent; metabolite |
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide | [no description available] | low | 0 | 0 | D-valine derivative; hydroxamic acid | antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor |
at 7519 | [no description available] | low | 0 | 0 | dichlorobenzene; piperidines; pyrazoles; secondary carboxamide | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
marizomib | [no description available] | low | 0 | 0 | beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide | antineoplastic agent; proteasome inhibitor |
er-086526 | [no description available] | low | 0 | 0 | cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound | antineoplastic agent; microtubule-destabilising agent |
obolactone | [no description available] | low | 0 | 0 | 2-pyranones; 4-pyranones | antineoplastic agent; plant metabolite |
episilvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
abt 869 | [no description available] | low | 0 | 0 | aromatic amine; indazoles; phenylureas | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
azd 1152 | [no description available] | low | 0 | 0 | anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor; prodrug |
pf 00299804 | [no description available] | low | 0 | 0 | enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ki11502 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; quinolines; thioureas | antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
carfilzomib | [no description available] | low | 0 | 0 | epoxide; morpholines; tetrapeptide | antineoplastic agent; proteasome inhibitor |
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
idelalisib | [no description available] | low | 0 | 0 | aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
crizotinib | [no description available] | low | 0 | 0 | 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
zstk474 | [no description available] | low | 0 | 0 | benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
lyoniresinol | [no description available] | low | 0 | 0 | dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins | antineoplastic agent; metabolite |
GDC-0879 | [no description available] | low | 0 | 0 | indanes; ketoxime; primary alcohol; pyrazoles; pyridines | antineoplastic agent; B-Raf inhibitor |
physalin b | [no description available] | low | 0 | 0 | enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimicrobial agent; antineoplastic agent |
amrubicinol | [no description available] | low | 0 | 0 | diastereoisomeric mixture; quinone; secondary alcohol; tetracenes | antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor |
silvestrol | [no description available] | low | 0 | 0 | dioxanes; ether; methyl ester; organic heterotricyclic compound | antineoplastic agent; metabolite |
at 13387 | [no description available] | low | 0 | 0 | benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide | antineoplastic agent; Hsp90 inhibitor |
cytotrienin a | [no description available] | low | 0 | 0 | cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol | antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite |
bgt226 | [no description available] | low | 0 | 0 | aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
2'-methoxykurarinone | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone | antineoplastic agent; metabolite |
monascin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide | antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist |
monascorubrin | [no description available] | low | 0 | 0 | azaphilone; enone; gamma-lactone; polyketide; triketone | anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; 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 |
SYC-435 | [no description available] | low | 0 | 0 | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside | antineoplastic agent; plant metabolite |
mogrol | [no description available] | low | 0 | 0 | hydroxy seco-steroid; tetracyclic triterpenoid | antineoplastic agent |
simalikalactone D | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol | antimalarial; antineoplastic agent; antiviral agent; metabolite |
4-methyl-5-pentylbenzene-1,3-diol | [no description available] | low | 0 | 0 | resorcinols | antineoplastic agent |
azd 1152-hqpa | [no description available] | low | 0 | 0 | anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound | antineoplastic agent; Aurora kinase inhibitor |
adonixanthin | [no description available] | low | 0 | 0 | carotenone; cyclic ketone; secondary alcohol | algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite |
schweinfurthin g | [no description available] | low | 0 | 0 | cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid | antineoplastic agent; metabolite |
abarelix | [no description available] | low | 0 | 0 | polypeptide | antineoplastic agent; hormone antagonist |
forapin | [no description available] | low | 0 | 0 | peptidyl amide; polypeptide | animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom |
gastrin 17 | [no description available] | low | 0 | 0 | gastrin | antineoplastic agent |
gdc-0973 | [no description available] | low | 0 | 0 | aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
buparlisib | [no description available] | low | 0 | 0 | aminopyridine; aminopyrimidine; morpholines; organofluorine compound | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
tubocapsanolide a | [no description available] | low | 0 | 0 | 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide | antineoplastic agent; NF-kappaB inhibitor |
ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides | antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
tg101209 | [no description available] | low | 0 | 0 | N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines; aromatic ether; organochlorine compound; pyridines | antineoplastic agent; Hsp90 inhibitor |
ku 0063794 | [no description available] | low | 0 | 0 | benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; mTOR inhibitor |
respirantin | [no description available] | low | 0 | 0 | benzamides; cyclodepsipeptide; formamides; phenols | antimicrobial agent; antineoplastic agent; metabolite |
sm 164 | [no description available] | low | 0 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
berkeleydione | [no description available] | low | 0 | 0 | beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite |
lucidenic acid n | [no description available] | low | 0 | 0 | cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid | antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite |
bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol | anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite |
nnc 55-0396 | [no description available] | low | 0 | 0 | hydrochloride | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker |
meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
brequinar sodium | [no description available] | low | 0 | 0 | organic sodium salt | anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor |
borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol | antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite |
plx 4720 | [no description available] | low | 0 | 0 | aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide | antineoplastic agent; B-Raf inhibitor |
lcl161 | [no description available] | low | 0 | 0 | 1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine | antineoplastic agent; apoptosis inducer |
aspergillide b | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
tenovin-6 | [no description available] | low | 0 | 0 | monocarboxylic acid amide; tertiary amino compound; thioureas | antineoplastic agent; p53 activator; Sir2 inhibitor |
lde225 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound | antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist |
bms 754807 | [no description available] | low | 0 | 0 | pyrazoles; pyridines; pyrrolidines; pyrrolotriazine | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone; organochlorine compound; phenols; pyrroles | antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite |
delanzomib | [no description available] | low | 0 | 0 | C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative | antineoplastic agent; apoptosis inducer; proteasome inhibitor |
grassypeptolide | [no description available] | low | 0 | 0 | cyclodepsipeptide; macrocycle | antineoplastic agent; metabolite |
pci 32765 | [no description available] | low | 0 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
ponatinib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine | antineoplastic agent; tyrosine kinase inhibitor |
spiruchostatin b | [no description available] | low | 0 | 0 | macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin | antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor |
AMG-208 | [no description available] | low | 0 | 0 | aromatic ether; quinolines; triazolopyridazine | antineoplastic agent; c-Met tyrosine kinase inhibitor |
sch772984 | [no description available] | low | 0 | 0 | biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide | analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
papuamide b | [no description available] | low | 0 | 0 | cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol | anti-HIV-1 agent; antineoplastic agent; marine metabolite |
antroquinonol d | [no description available] | low | 0 | 0 | enol ether; enone; secondary alcohol | antineoplastic agent; fungal metabolite |
quizartinib | [no description available] | low | 0 | 0 | benzoimidazothiazole; isoxazoles; morpholines; phenylureas | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor |
6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether; azaspiro compound; indole alkaloid; indolones | antineoplastic agent; Aspergillus metabolite |
PP121 | [no description available] | low | 0 | 0 | aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor |
niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
niraparib | [no description available] | low | 0 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent |
lucitanib | [no description available] | low | 0 | 0 | aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines | antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist |
chondramide c | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide | [no description available] | low | 0 | 0 | aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound | anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
histrelin | [no description available] | low | 0 | 0 | oligopeptide | antineoplastic agent; gonadotropin releasing hormone agonist |
cabozantinib | [no description available] | low | 0 | 0 | aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines | antineoplastic agent; tyrosine kinase inhibitor |
salvileucalin b | [no description available] | low | 0 | 0 | bridged compound; diterpenoid; furans; gamma-lactone | antineoplastic agent; metabolite |
incb-018424 | [no description available] | low | 0 | 0 | nitrile; pyrazoles; pyrrolopyrimidine | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
poziotinib | [no description available] | low | 0 | 0 | acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist |
asp3026 | [no description available] | low | 0 | 0 | aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone | antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor |
entrectinib | [no description available] | low | 0 | 0 | benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide | antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pexidartinib | [no description available] | low | 0 | 0 | aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
TAK-580 | [no description available] | low | 0 | 0 | 1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor |
gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide | anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent |
ixazomib | [no description available] | low | 0 | 0 | benzamides; boronic acids; dichlorobenzene; glycine derivative | antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor |
cx 5461 | [no description available] | low | 0 | 0 | diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor |
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol | [no description available] | low | 0 | 0 | benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound | antineoplastic agent; apoptosis inducer; mTOR inhibitor |
GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline | antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
INDY | [no description available] | low | 0 | 0 | benzothiazoles; enone; organic hydroxy compound | antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor |
7,8-dihydroxyflavanone | [no description available] | low | 0 | 0 | dihydroxyflavanone | antineoplastic agent; metabolite |
dabrafenib | [no description available] | low | 0 | 0 | 1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide | anticoronaviral agent; antineoplastic agent; B-Raf inhibitor |
cblc137 | [no description available] | low | 0 | 0 | aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator |
2,3-dihydro-3beta-O-sulfate withaferin A | [no description available] | low | 0 | 0 | 27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide | antineoplastic agent; metabolite; plant metabolite |
leachianone a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | antimalarial; antineoplastic agent; metabolite |
thiopental sodium | [no description available] | low | 0 | 0 | organochlorine compound; piperazines; pyrimidines | antineoplastic agent; tyrosine kinase inhibitor |
EG00229 | [no description available] | low | 0 | 0 | benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes | angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist |
jadomycin b | [no description available] | low | 0 | 0 | glycoside; jadomycin; organic heteropentacyclic compound | antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite |
tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide | antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor |
chondramide a | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
englerin a | [no description available] | low | 0 | 0 | cinnamate ester; glycolate ester; guaiane sesquiterpenoid | antineoplastic agent; metabolite |
lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
jq1 compound | [no description available] | low | 0 | 0 | carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer |
ML-210 | [no description available] | low | 0 | 0 | C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide | antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug |
eurycomanone | [no description available] | low | 0 | 0 | cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol | antimalarial; antineoplastic agent; metabolite |
alectinib | [no description available] | low | 0 | 0 | aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ML240 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound | antineoplastic agent |
torin 1 | [no description available] | low | 0 | 0 | N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines | antineoplastic agent; mTOR inhibitor |
pracinostat | [no description available] | low | 0 | 0 | benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound | antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
physalin f | [no description available] | low | 0 | 0 | enone; epoxy steroid; lactone; physalin | antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent |
xl765 | [no description available] | low | 0 | 0 | aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor |
DMH1 | [no description available] | low | 0 | 0 | aromatic ether; pyrazolopyrimidine; quinolines | antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor |
torin 2 | [no description available] | low | 0 | 0 | aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline | antineoplastic agent; mTOR inhibitor |
oligomycin a | [no description available] | low | 0 | 0 | antibiotic antifungal agent; diketone; oligomycin; pentol | antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | low | 0 | 0 | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid | antineoplastic agent; metabolite |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid | antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist |
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 |
gsk2656157 | [no description available] | low | 0 | 0 | biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor |
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide | [no description available] | low | 0 | 0 | acetamides; hydroxyindoles; tryptamines | antineoplastic agent; apoptosis inducer; plant metabolite |
coumermycin | [no description available] | low | 0 | 0 | aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles | antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor |
AZD3463 | [no description available] | low | 0 | 0 | aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
calicheamicin gamma(1)i | [no description available] | low | 0 | 0 | calicheamicin; enediyne antibiotic; organoiodine compound | antineoplastic agent; metabolite |
asperfuranone | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone | antineoplastic agent; fungal metabolite |
ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes; organic heterotricyclic compound; primary carboxamide | antineoplastic agent; bromodomain-containing protein 4 inhibitor |
MK-8353 | [no description available] | low | 0 | 0 | aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
ssr128129e | [no description available] | low | 0 | 0 | organic sodium salt | antineoplastic agent; fibroblast growth factor receptor antagonist |
aspergillide a | [no description available] | low | 0 | 0 | bridged compound; cyclic ether; macrolide; secondary alcohol | antineoplastic agent; Aspergillus metabolite |
capilliposide b | [no description available] | low | 0 | 0 | alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin | antineoplastic agent; plant metabolite |
brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols | antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent |
surfactin A | [no description available] | low | 0 | 0 | cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone | antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant |
acp-196 | [no description available] | low | 0 | 0 | aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone | antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk343 | [no description available] | low | 0 | 0 | aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
myriaporone 3 | [no description available] | low | 0 | 0 | beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol | antineoplastic agent; metabolite |
GSK1059615 | [no description available] | low | 0 | 0 | pyridines; quinolines; thiazolidinone | antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
osimertinib | [no description available] | low | 0 | 0 | acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
ivosidenib | [no description available] | low | 0 | 0 | cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
phleomycin d1 | [no description available] | low | 0 | 0 | bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
ly3009120 | [no description available] | low | 0 | 0 | aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound | antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor |
pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles | antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
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 |
physalin d | [no description available] | low | 0 | 0 | 5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin | antimalarial; antimycobacterial drug; antineoplastic agent |
acarbose | [no description available] | low | 0 | 0 | chondramide; indoles; organochlorine compound; phenols | antineoplastic agent; bacterial metabolite |
sr9243 | [no description available] | low | 0 | 0 | bromobenzenes; sulfonamide; sulfone | antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist |
CCT251545 | [no description available] | low | 0 | 0 | azaspiro compound; chloropyridine; pyrazoles | antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor |
ldc4297 | [no description available] | low | 0 | 0 | aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound | antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
hg-9-91-01 | [no description available] | low | 0 | 0 | aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound | antineoplastic agent; salt-inducible kinase 2 inhibitor |
cigb-300 | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; polypeptide | angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
chondramide d | [no description available] | low | 0 | 0 | chondramide; indoles; phenols | antineoplastic agent; bacterial metabolite |
BDA-366 | [no description available] | low | 0 | 0 | anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound | antineoplastic agent; apoptosis inducer |
ebc-46 | [no description available] | low | 0 | 0 | diester; diterpenoid; organic heteropentacyclic compound; phorbol ester | antineoplastic agent; plant metabolite; protein kinase C agonist |
THZ531 | [no description available] | low | 0 | 0 | aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide | antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
can 508 | [no description available] | low | 0 | 0 | aromatic amine; monoazo compound; phenols; pyrazoles | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
pyrazofurin | [no description available] | low | 0 | 0 | C-glycosyl compound; pyrazoles | antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor |
MMP-9-IN-1 | [no description available] | low | 0 | 0 | aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide | antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor |
9-arabinofuranosylguanine | [no description available] | low | 0 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; DNA synthesis inhibitor |
cerulomycin | [no description available] | low | 0 | 0 | aldoxime; aromatic ether; bipyridines; pyridine alkaloid | antineoplastic agent; bacterial metabolite; marine metabolite |
undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; tripyrrole | antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent |
ver 52296 | [no description available] | low | 0 | 0 | aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols | angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor |
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile | [no description available] | low | 0 | 0 | hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound | antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor |
XL413 | [no description available] | low | 0 | 0 | benzofuropyrimidine; organochlorine compound; pyrrolidines | antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
marineosin a | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
marineosin b | [no description available] | low | 0 | 0 | azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles | antineoplastic agent; metabolite |
ARS-1620 | [no description available] | low | 0 | 0 | quinazolines | antineoplastic agent; antiviral agent; inhibitor |
sotorasib | [no description available] | low | 0 | 0 | acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide | antineoplastic agent |
dihydrolipoic acid | [no description available] | low | 0 | 0 | thio-fatty acid | antioxidant; human metabolite; neuroprotective agent |
pqq cofactor | [no description available] | low | 0 | 0 | orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid | anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role) |
isopentenyl pyrophosphate | [no description available] | low | 0 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
5-methoxytryptamine | [no description available] | low | 0 | 0 | aromatic ether; primary amino compound; tryptamines | 5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist |
benphothiamine | [no description available] | low | 0 | 0 | aminopyrimidine; formamides; organic phosphate; thioester | antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1 |
caffeic acid | [no description available] | low | 0 | 0 | catechols; hydroxycinnamic acid | antioxidant; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite |
carcinine | [no description available] | low | 0 | 0 | beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound | antioxidant; crustacean metabolite |
resveratrol | [no description available] | low | 0 | 0 | polyphenol; resorcinols; stilbenol | antioxidant; geroprotector; glioma-associated oncogene inhibitor; phytoalexin |
methylene blue | [no description available] | low | 0 | 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 |
2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene; phenols | antioxidant; bacterial metabolite; marine metabolite |
methyl gallate | [no description available] | low | 0 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
gamma-terpinene | [no description available] | low | 0 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
n-isopropyl-n-phenyl-4-phenylenediamine | [no description available] | low | 0 | 0 | N-substituted diamine | allergen; antioxidant |
ethyl vanillin | [no description available] | low | 0 | 0 | aromatic ether; benzaldehydes; phenols | antioxidant; flavouring agent |
triethylenediamine | [no description available] | low | 0 | 0 | bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound | antioxidant; catalyst; reagent |
4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols; monocarboxylic acid; phenylpropanoid | antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite |
methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether; benzoate ester; phenols | antioxidant; plant metabolite |
2,6-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene; phenols | antioxidant |
n-acetylaspartic acid | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
7-hydroxydehydroepiandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; androstanoid | anti-inflammatory agent; antioxidant; estrogen; human xenobiotic metabolite; rat metabolite |
vexibinol | [no description available] | low | 0 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; tetrahydroxyflavanone | antimalarial; antimicrobial agent; antioxidant; plant metabolite |
pinobanksin | [no description available] | low | 0 | 0 | secondary alpha-hydroxy ketone; trihydroxyflavanone | antimutagen; antioxidant; metabolite |
corilagin | [no description available] | low | 0 | 0 | ellagitannin; gallate ester | antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug |
arjunolic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | antibacterial agent; antifungal agent; antioxidant; metabolite |
ethyl protocatechuate | [no description available] | low | 0 | 0 | catechols; ethyl ester | antibacterial agent; antioxidant; apoptosis inducer; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; plant metabolite |
decane-1,2-diol | [no description available] | low | 0 | 0 | glycol; volatile organic compound | anti-inflammatory agent; antioxidant; human metabolite |
3,4-dihydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; catechols | antioxidant; drug metabolite; human metabolite; mouse metabolite |
sesaminol | [no description available] | low | 0 | 0 | benzodioxoles; furofuran; organic hydroxy compound | antioxidant; plant metabolite |
wr 1065 | [no description available] | low | 0 | 0 | alkanethiol; diamine | antioxidant; drug metabolite; radiation protective 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 |
rubiadin | [no description available] | low | 0 | 0 | dihydroxyanthraquinone | antibacterial agent; antioxidant; hepatoprotective agent; plant metabolite |
cyanidin | [no description available] | low | 0 | 0 | 5-hydroxyanthocyanidin | antioxidant; metabolite; neuroprotective agent |
ovothiol c | [no description available] | low | 0 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative | antioxidant; marine metabolite; radical scavenger |
ovothiol a | [no description available] | low | 0 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid | antioxidant; marine metabolite; radical scavenger |
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman | [no description available] | low | 0 | 0 | benzopyran | antioxidant |
eckol | [no description available] | low | 0 | 0 | phlorotannin | antioxidant; metabolite |
procyanidin b3 | [no description available] | low | 0 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 2.3.1.48 (histone acetyltransferase) inhibitor; metabolite |
acrovestone | [no description available] | low | 0 | 0 | acetophenones; aromatic ether; olefinic compound; polyphenol | antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
secoxyloganin | [no description available] | low | 0 | 0 | beta-D-glucoside; dicarboxylic acid monoester; enoate ester; methyl ester; monosaccharide derivative; pyrans; secoiridoid glycoside | anti-allergic agent; antioxidant; plant metabolite |
procyanidin C1 | [no description available] | low | 0 | 0 | hydroxyflavan; polyphenol; proanthocyanidin | anti-inflammatory agent; antioxidant; EC 1.17.3.2 (xanthine oxidase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; lipoxygenase inhibitor; metabolite |
methyl 3,4-dihydroxybenzoate | [no description available] | low | 0 | 0 | catechols; methyl ester | antioxidant; neuroprotective agent; plant metabolite |
sorbinil | [no description available] | low | 0 | 0 | azaspiro compound; chromanes; imidazolidinone; organofluorine compound; oxaspiro compound | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor |
allose | [no description available] | low | 0 | 0 | allopyranose; D-allose | antioxidant |
davidigenin | [no description available] | low | 0 | 0 | dihydrochalcones; polyphenol | anti-allergic agent; anti-asthmatic agent; antioxidant; metabolite |
alpha bitter acid | [no description available] | low | 0 | 0 | aromatic ketone; cyclic ketone; diketone; tertiary alpha-hydroxy ketone; triol | antibacterial drug; antioxidant; cyclooxygenase 2 inhibitor; metabolite |
solasodine | [no description available] | low | 0 | 0 | alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid | anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent |
petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation; aromatic ether; beta-D-glucoside | antioxidant; metabolite |
equilenin | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid | antioxidant; mammalian metabolite |
pallidol | [no description available] | low | 0 | 0 | carbopolycyclic compound; polyphenol; stilbenoid | antifungal agent; antioxidant; plant metabolite |
piperlactam s | [no description available] | low | 0 | 0 | alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols | anti-inflammatory agent; antioxidant; plant metabolite |
2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid; phenols | antioxidant; metabolite |
isoferulic acid | [no description available] | low | 0 | 0 | ferulic acids | antioxidant; biomarker; metabolite |
ferrostatin-1 | [no description available] | low | 0 | 0 | ethyl ester; primary arylamine; substituted aniline | antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger |
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 |
quercetin 3-o-glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; quercetin O-glycoside | antidepressant; antioxidant; metabolite |
sinapine | [no description available] | low | 0 | 0 | acylcholine | antioxidant; photosynthetic electron-transport chain inhibitor; plant metabolite |
7,3'-dihydroxy-4'-methoxyisoflavone | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antioxidant; metabolite |
ubiquinone 9 | [no description available] | low | 0 | 0 | ubiquinones | antioxidant; human metabolite |
zeaxanthin | [no description available] | low | 0 | 0 | carotenol | antioxidant; bacterial metabolite; cofactor |
gardenia yellow | [no description available] | low | 0 | 0 | diester; disaccharide derivative; diterpenoid | antioxidant; food colouring; histological dye; plant metabolite |
esculin | [no description available] | low | 0 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
demethylbellidifolin | [no description available] | low | 0 | 0 | tetrol; xanthones | antioxidant; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; mutagen; radical scavenger |
mangiferin | [no description available] | low | 0 | 0 | C-glycosyl compound; xanthones | anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite |
1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether; polyphenol; xanthones | antioxidant; plant metabolite |
norwogonin | [no description available] | low | 0 | 0 | trihydroxyflavone | antioxidant; metabolite |
orientin | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid; C-glycosyl compound; tetrahydroxyflavone | antioxidant; metabolite |
patuletin | [no description available] | low | 0 | 0 | flavonols; monomethoxyflavone; pentahydroxyflavone | analgesic; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; metabolite |
quercetagetin | [no description available] | low | 0 | 0 | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
polydatin | [no description available] | low | 0 | 0 | beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid | anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator |
quercimeritrin | [no description available] | low | 0 | 0 | beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; metabolite |
quercetin-3-o-sophoroside | [no description available] | low | 0 | 0 | sophoroside; tetrahydroxyflavone | antioxidant; plant metabolite |
nk 104 | [no description available] | low | 0 | 0 | calcium salt; statin (synthetic) | antioxidant |
rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester; monocarboxylic acid; phenylpropanoid; polyphenol | antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite; serine proteinase inhibitor |
cannabigerol | [no description available] | low | 0 | 0 | phytocannabinoid; resorcinols | anti-inflammatory agent; antibacterial agent; antioxidant; appetite enhancer; cannabinoid receptor agonist; neuroprotective agent; plant metabolite |
quadrangularin a | [no description available] | low | 0 | 0 | indanes; polyphenol; stilbenoid | antioxidant; plant metabolite |
isosalipurposide | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; resorcinols | antioxidant; plant metabolite |
sappanchalcone | [no description available] | low | 0 | 0 | catechols; chalcones; monomethoxybenzene | anti-allergic agent; anti-inflammatory agent; antioxidant; metabolite |
4-methylesculetin | [no description available] | low | 0 | 0 | hydroxycoumarin | anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor |
(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 |
ergothioneine | [no description available] | low | 0 | 0 | 1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid | antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite |
monomethyl fumarate | [no description available] | low | 0 | 0 | dicarboxylic acid monoester; enoate ester; methyl ester | antioxidant; drug metabolite; immunomodulator |
5,4'-dihydroxy-7,3'-dimethoxyflavone | [no description available] | low | 0 | 0 | dihydroxyflavone; dimethoxyflavone | anti-allergic agent; anti-inflammatory agent; antibacterial agent; antioxidant; melanin synthesis inhibitor; plant metabolite |
quercetin 3-sambubioside | [no description available] | low | 0 | 0 | disaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone | antioxidant; plant metabolite |
meso-zeaxanthin | [no description available] | low | 0 | 0 | carotenol | anti-inflammatory agent; antioxidant; human xenobiotic metabolite; marine metabolite |
trilobatin | [no description available] | low | 0 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | anti-inflammatory agent; antioxidant; plant metabolite; sweetening agent |
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 |
arachidonoylserotonin | [no description available] | low | 0 | 0 | N-acylserotonin; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule |
nigerloxin | [no description available] | low | 0 | 0 | aromatic ether; benzamides; benzoic acids; phenols; styrenes | antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger |
7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether; phlorotannin | antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite |
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 |
glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride; aromatic ether; enoate ester; phenols | antioxidant; plant metabolite; ultraviolet filter |
(+)-dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | dehydrodiconiferyl alcohol | antioxidant; plant metabolite |
astragaloside IV | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; antioxidant; EC 4.2.1.1 (carbonic anhydrase) inhibitor; neuroprotective agent; plant metabolite; pro-angiogenic agent |
1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; cinnamate ester; phenols | antioxidant; plant metabolite |
alx-0600 | [no description available] | low | 0 | 0 | polypeptide | antioxidant; glucagon-like peptide-2 receptor agonist; metabolite; protective agent |
pyranonigrin a | [no description available] | low | 0 | 0 | cyclic ketone; enol; gamma-lactam; pyranopyrrole; secondary alcohol | antioxidant; Aspergillus metabolite; marine metabolite |
madecassoside | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; trisaccharide derivative; triterpenoid saponin | anti-inflammatory agent; antioxidant; antirheumatic drug; plant metabolite; vulnerary |
bacillithiol | [no description available] | low | 0 | 0 | glycoside; monosaccharide derivative; thiol | antioxidant; bacterial metabolite; cofactor |
kurarinol | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone | anti-inflammatory agent; antioxidant; plant metabolite |
(20R)-ginsenoside Rg3 | [no description available] | low | 0 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | antioxidant; plant metabolite |
oleuropein aglycone | [no description available] | low | 0 | 0 | catechols; diester; lactol; methyl ester; pyrans; secoiridoid | anti-inflammatory agent; antioxidant; mTOR inhibitor; neuroprotective agent; plant metabolite; TRPA1 channel agonist |
staphyloxanthin | [no description available] | low | 0 | 0 | apo carotenoid triterpenoid; D-aldohexose derivative; fatty acid ester; triol; xanthophyll | antioxidant; biological pigment; metabolite; virulence factor |
6-hydroxy-2,4,5-triaminopyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine; hydroxypyrimidine | antioxidant; chromophore |
liproxstatin-1 | [no description available] | low | 0 | 0 | azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound | antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger |
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 |
my 12-62c | [no description available] | low | 0 | 0 | monohydroxyquinoline; quinolone | antibacterial agent; iron chelator; metabolite; signalling molecule |
2-heptyl-3-hydroxy-4-quinolone | [no description available] | low | 0 | 0 | quinolone | signalling molecule |
cyclic 3',5'-uridine monophosphate | [no description available] | low | 0 | 0 | 3',5'-cyclic pyrimidine nucleotide | bacterial metabolite; mammalian metabolite; signalling molecule |
tropodithietic acid | [no description available] | low | 0 | 0 | cyclic ketone; monocarboxylic acid; organic disulfide; organic heterobicyclic compound; organosulfur heterocyclic compound | antibacterial agent; bacterial metabolite; marine metabolite; signalling molecule; toxin |
bis(3',5')-cyclic diguanylic acid | [no description available] | low | 0 | 0 | cyclic purine dinucleotide; guanyl ribonucleotide | immunomodulator; signalling molecule |
8-nitroguanosine 3',5'-cyclic monophosphate | [no description available] | low | 0 | 0 | 3',5'-cyclic purine nucleotide; C-nitro compound | biomarker; Brassica napus metabolite; human metabolite; signalling molecule |
n(1)-methylnicotinamide | [no description available] | low | 0 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
tramiprosate | [no description available] | low | 0 | 0 | amino sulfonic acid; zwitterion | algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent |
dipyrone | [no description available] | low | 0 | 0 | amino sulfonic acid; pyrazoles | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
sb 220025 | [no description available] | low | 0 | 0 | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
2-methyl-1,4-hydroquinone | [no description available] | low | 0 | 0 | hydroquinones | angiogenesis inhibitor; anti-inflammatory agent; Penicillium metabolite |
scoparone | [no description available] | low | 0 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
myrcene | [no description available] | low | 0 | 0 | monoterpene | anabolic agent; anti-inflammatory agent; flavouring agent; fragrance; plant metabolite; volatile oil component |
goralatide | [no description available] | low | 0 | 0 | oligopeptide; tetrapeptide | anti-inflammatory agent; pro-angiogenic agent |
sigmoidin a | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; tetrahydroxyflavanone | anti-inflammatory agent; anti-obesity agent; antibacterial agent; metabolite; radical scavenger |
pulsatilla saponin a | [no description available] | low | 0 | 0 | disaccharide derivative; hydroxy monocarboxylic acid; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
monotropein | [no description available] | low | 0 | 0 | beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monocarboxylic acid; monosaccharide derivative | anti-inflammatory agent; metabolite |
1,3,7,9-tetramethyluric acid | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | analgesic; anti-inflammatory agent; human xenobiotic metabolite; plant metabolite |
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 |
vestitol | [no description available] | low | 0 | 0 | aromatic ether; hydroxyisoflavans; methoxyisoflavan | anti-inflammatory agent; phytoalexin; plant metabolite |
delta(9)-tetrahydrocannabinolic acid | [no description available] | low | 0 | 0 | benzochromene; diterpenoid; hydroxy monocarboxylic acid; phytocannabinoid; polyketide | anti-inflammatory agent; biomarker; metabolite; neuroprotective agent |
quillaic acid | [no description available] | low | 0 | 0 | aldehyde; hydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
taraxasterol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid; secondary alcohol | anti-inflammatory agent; metabolite |
cubebin | [no description available] | low | 0 | 0 | benzodioxoles; cyclic acetal; lactol; lignan; secondary alcohol | analgesic; anti-inflammatory agent; antimicrobial agent; histamine antagonist; plant metabolite; trypanocidal drug |
astilbin | [no description available] | low | 0 | 0 | 3'-hydroxyflavanones; 4'-hydroxyflavanones; alpha-L-rhamnoside; flavanone glycoside; monosaccharide derivative; tetrahydroxyflavanone | anti-inflammatory agent; plant metabolite; radical scavenger |
lanthionine ketimine | [no description available] | low | 0 | 0 | 1,4-thiazine; dicarboxylic acid; sulfur-containing amino acid | anti-inflammatory agent; human urinary metabolite; neuroprotective agent |
butrin | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones; flavanone glycoside; monohydroxyflavanone | anti-inflammatory agent; plant metabolite |
anacardic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; hydroxybenzoic acid | anti-inflammatory agent; antibacterial agent; anticoronaviral agent; apoptosis inducer; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; neuroprotective agent; plant metabolite |
confertin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; pseudoguaianolide | anti-inflammatory agent; metabolite; plant metabolite |
inuviscolide | [no description available] | low | 0 | 0 | gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone; tertiary alcohol | anti-inflammatory agent; plant metabolite |
aromaticin | [no description available] | low | 0 | 0 | cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone | anti-inflammatory agent; metabolite; plant metabolite |
absynthin | [no description available] | low | 0 | 0 | organic heteroheptacyclic compound; sesquiterpene lactone; triterpenoid | anti-inflammatory agent; plant metabolite |
agnuside | [no description available] | low | 0 | 0 | benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside | anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent |
cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol | anti-inflammatory agent; metabolite |
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 |
mln 4760 | [no description available] | low | 0 | 0 | dichlorobenzene; L-histidine derivative; L-leucine derivative | anti-inflammatory agent; EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor |
23-hydroxytormentic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid; tetrol | anti-inflammatory agent; plant metabolite |
lisofylline | [no description available] | low | 0 | 0 | 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione | anti-inflammatory agent; immunomodulator |
likviriton | [no description available] | low | 0 | 0 | beta-D-glucoside; flavanone glycoside; monohydroxyflavanone; monosaccharide derivative | anti-inflammatory agent; anticoronaviral agent; plant metabolite |
2'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones; phenols | anti-inflammatory agent |
7-deacetylgedunin | [no description available] | low | 0 | 0 | cyclic terpene ketone; delta-lactone; enone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; antimalarial; metabolite; plant metabolite |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | low | 0 | 0 | adenosines; dicarboxylic acid monoamide; monocarboxylic acid | adenosine A2A receptor agonist; anti-inflammatory agent |
fraxin | [no description available] | low | 0 | 0 | aromatic ether; beta-D-glucoside; hydroxycoumarin | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
2'-hydroxyformononetin | [no description available] | low | 0 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | anti-inflammatory agent |
naringenin chalcone | [no description available] | low | 0 | 0 | chalcones; polyphenol | anti-allergic agent; anti-inflammatory agent; metabolite |
isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside; chalcones; monosaccharide derivative; phenols | anti-inflammatory agent; hepatoprotective agent; plant metabolite |
kuwanon g | [no description available] | low | 0 | 0 | resorcinols; tetrahydroxyflavone | anti-inflammatory agent; plant metabolite |
orobol | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; fungal metabolite; plant metabolite; radical scavenger |
prunetin | [no description available] | low | 0 | 0 | 7-methoxyisoflavones; hydroxyisoflavone | anti-inflammatory agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite |
savinin | [no description available] | low | 0 | 0 | benzodioxoles; gamma-lactone; lignan | anti-inflammatory agent; anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite; T-cell proliferation inhibitor |
ethyl linoleate | [no description available] | low | 0 | 0 | long-chain fatty acid ethyl ester | anti-inflammatory agent; plant metabolite |
leukotriene b5 | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | anti-inflammatory agent; human xenobiotic metabolite; rat metabolite |
6,7,4'-trihydroxyisoflavone | [no description available] | low | 0 | 0 | 7-hydroxyisoflavones | anti-inflammatory agent; antimutagen; EC 1.14.18.1 (tyrosinase) inhibitor; metabolite; PPARalpha agonist; PPARgamma agonist |
as 605240 | [no description available] | low | 0 | 0 | quinoxaline derivative; thiazolidinediones | anti-inflammatory agent; antirheumatic drug; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
kaempferol 3-o-rhamnoside | [no description available] | low | 0 | 0 | glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone | anti-inflammatory agent; antibacterial agent; plant metabolite |
muromonab-cd3 | [no description available] | low | 0 | 0 | extended flavonoid; pyranochromane; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
ombuine | [no description available] | low | 0 | 0 | dimethoxyflavone; flavonols; trihydroxyflavone | anti-inflammatory agent; plant metabolite |
dehydrodiconiferyl alcohol | [no description available] | low | 0 | 0 | 1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol | anti-inflammatory agent; plant metabolite |
tetrahydroxycurcumin | [no description available] | low | 0 | 0 | beta-diketone; catechols; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; neuroprotective agent; plant metabolite |
ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether; biflavonoid; hydroxyflavone | anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite |
4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether; chalcones; polyphenol | anti-inflammatory agent; antibacterial agent; plant metabolite |
eupomatenoid 6 | [no description available] | low | 0 | 0 | benzofurans; phenols | anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite |
pinellic acid | [no description available] | low | 0 | 0 | TriHOME | adjuvant; anti-inflammatory agent |
demethylzeylasteral | [no description available] | low | 0 | 0 | arenecarbaldehyde; benzenediols; carbopolycyclic compound; cyclic ketone; enone; oxo monocarboxylic acid | anti-inflammatory agent; EC 2.4.1.17 (glucuronosyltransferase) inhibitor; immunosuppressive agent; nephroprotective agent; plant metabolite |
myrsinoic acid b | [no description available] | low | 0 | 0 | 1-benzofurans; monocarboxylic acid | anti-inflammatory agent; EC 4.4.1.11 (methionine gamma-lyase) inhibitor; metabolite |
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; nonclassic icosanoid; resolvin; triol | anti-inflammatory agent; human xenobiotic metabolite |
np 031112 | [no description available] | low | 0 | 0 | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
resolvin d2 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol | anti-inflammatory agent; anti-obesity agent; estrogen receptor agonist; human xenobiotic metabolite; rat metabolite |
kalopanax saponin b | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
hu 308 | [no description available] | low | 0 | 0 | aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid | anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist |
bay 60-6583 | [no description available] | low | 0 | 0 | aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide | adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent |
viridiflorol | [no description available] | low | 0 | 0 | carbotricyclic compound; sesquiterpenoid; tertiary alcohol | anti-inflammatory agent; antifeedant; antimycobacterial drug; plant metabolite; volatile oil component |
azadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid | anti-inflammatory agent; antimycobacterial drug; plant metabolite |
protectin d1 | [no description available] | low | 0 | 0 | dihydroxydocosahexaenoic acid; protectin; secondary allylic alcohol | anti-inflammatory agent; apoptosis inhibitor; hepatoprotective agent; human xenobiotic metabolite; neuroprotective agent; PPARgamma agonist; specialised pro-resolving mediator |
resolvin e2 | [no description available] | low | 0 | 0 | diol; hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol | anti-inflammatory agent; human xenobiotic metabolite; rat metabolite |
alpha-msh | [no description available] | low | 0 | 0 | peptide hormone | anti-inflammatory agent |
antrocamphin a | [no description available] | low | 0 | 0 | methoxybenzenes | anti-inflammatory agent; metabolite |
cauloside D | [no description available] | low | 0 | 0 | carboxylic ester; pentacyclic triterpenoid; triterpenoid saponin | anti-inflammatory agent; plant metabolite |
ph 797804 | [no description available] | low | 0 | 0 | aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone | anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
beraprost sodium | [no description available] | low | 0 | 0 | organic sodium salt | anti-inflammatory agent; antihypertensive agent; platelet aggregation inhibitor; prostaglandin receptor agonist; vasodilator agent |
methylprednisolone suleptanate | [no description available] | low | 0 | 0 | organic sodium salt | anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug |
epi-maslinic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid | anti-inflammatory agent; metabolite |
resolvin d1 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; resolvin; triol | anti-inflammatory agent |
picrinine | [no description available] | low | 0 | 0 | alkaloid ester; indole alkaloid; methyl ester; organic heteropentacyclic compound; polycyclic ether | analgesic; anti-asthmatic agent; anti-inflammatory agent; antitussive; plant metabolite |
epoxyazadiradione | [no description available] | low | 0 | 0 | acetate ester; cyclic terpene ketone; epoxide; furans; limonoid; pentacyclic triterpenoid | anti-inflammatory agent; insecticide; plant metabolite |
resolvin D4 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol | anti-inflammatory agent; human xenobiotic metabolite |
resolvin d3 | [no description available] | low | 0 | 0 | hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol | anti-inflammatory agent; human xenobiotic metabolite |
9-PAHSA | [no description available] | low | 0 | 0 | FAHFA; long-chain fatty acid | anti-inflammatory agent; human metabolite; hypoglycemic agent |
praliciguat | [no description available] | low | 0 | 0 | aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol | anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent |
AZ3451 | [no description available] | low | 0 | 0 | benzimidazoles; benzodioxoles; nitrile; organobromine compound; secondary carboxamide | anti-inflammatory agent; autophagy inducer; PAR2 negative allosteric modulator |
2-oxo-3-methylvalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | human metabolite |
alpha-ketoisovalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | human metabolite; Saccharomyces cerevisiae metabolite |
2-keto-4-methylvalerate | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; branched-chain keto acid | algal metabolite; human metabolite |
3-hydroxyanthranilic acid | [no description available] | low | 0 | 0 | aminobenzoic acid; monohydroxybenzoic acid | human metabolite; mouse metabolite |
3-oxoadipic acid | [no description available] | low | 0 | 0 | dicarboxylic fatty acid; oxo dicarboxylic acid | bacterial xenobiotic metabolite; human metabolite |
3-mercaptopyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; thiol | antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite |
3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid; phenols | fungal metabolite; human metabolite; mouse metabolite; plant metabolite |
isocaproaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde | human metabolite; mouse metabolite |
5-aminovaleric acid | [no description available] | low | 0 | 0 | amino acid zwitterion; delta-amino acid; omega-amino fatty acid | human metabolite |
acetyl phosphate | [no description available] | low | 0 | 0 | acyl monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
anthranilic acid | [no description available] | low | 0 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
beta-alanine | [no description available] | low | 0 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
betaine aldehyde | [no description available] | low | 0 | 0 | quaternary ammonium ion | Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
ureidosuccinic acid | [no description available] | low | 0 | 0 | aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
aminoethylphosphonic acid | [no description available] | low | 0 | 0 | phosphonic acids; primary amino compound; zwitterion | human metabolite; metabolite; mouse metabolite |
trimethylenediamine | [no description available] | low | 0 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
methylmalonic acid | [no description available] | low | 0 | 0 | C4-dicarboxylic acid | human metabolite |
pyrrolidonecarboxylic acid | [no description available] | low | 0 | 0 | oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid | human metabolite |
alpha-keto-delta-guanidinovaleric acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; zwitterion | human metabolite; mouse metabolite |
dihydrouracil | [no description available] | low | 0 | 0 | pyrimidone | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
dihydrolipoamide | [no description available] | low | 0 | 0 | dithiol; monocarboxylic acid amide | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dihydroxyacetone | [no description available] | low | 0 | 0 | ketotriose; primary alpha-hydroxy ketone | antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dimethylglycine | [no description available] | low | 0 | 0 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
5,6-dimethylbenzimidazole | [no description available] | low | 0 | 0 | dimethylbenzimidazole | Escherichia coli metabolite; human metabolite |
gamma-butyrobetaine | [no description available] | low | 0 | 0 | amino-acid betaine | Escherichia coli metabolite; human metabolite |
glutaric acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | Daphnia magna metabolite; human metabolite |
glycolaldehyde | [no description available] | low | 0 | 0 | glycolaldehydes | fundamental metabolite; human metabolite |
glyoxylic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; aldehydic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
glycocyamine | [no description available] | low | 0 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
hydrogen cyanide | [no description available] | low | 0 | 0 | hydracid; one-carbon compound | Escherichia coli metabolite; human metabolite; poison |
homogentisic acid | [no description available] | low | 0 | 0 | dihydroxyphenylacetic acid; hydroquinones | human metabolite; plant metabolite |
indole-3-acetaldehyde | [no description available] | low | 0 | 0 | indoleacetaldehyde | bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
itaconic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
potassium | [no description available] | low | 0 | 0 | alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation | cofactor; human metabolite |
lipoamide | [no description available] | low | 0 | 0 | dithiolanes; monocarboxylic acid amide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
malonic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
methylmercaptan | [no description available] | low | 0 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant metabolite |
n'-acetylspermine | [no description available] | low | 0 | 0 | acetamides; acetylspermine | human metabolite |
hydroxypyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone | Escherichia coli metabolite; human metabolite |
oxalic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
4-hydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; phenols | human metabolite |
hexadecanal | [no description available] | low | 0 | 0 | 2,3-saturated fatty aldehyde; long-chain fatty aldehyde | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
phenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-hydroxyphenethylamine | [no description available] | low | 0 | 0 | phenylethanolamines | human metabolite |
phenethylamine | [no description available] | low | 0 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
phosphoric acid | [no description available] | low | 0 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
phosphorylethanolamine | [no description available] | low | 0 | 0 | phosphoethanolamine; primary amino compound | algal metabolite; human metabolite; mouse metabolite |
picolinic acid | [no description available] | low | 0 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
pyridoxal | [no description available] | low | 0 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyridoxamine phosphate | [no description available] | low | 0 | 0 | aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-(4-methyl-1,3-thiazol-5-yl)ethanol | [no description available] | low | 0 | 0 | 1,3-thiazoles; primary alcohol | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
tryptamine | [no description available] | low | 0 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
3-hydroxy-4-methoxyphenethylamine | [no description available] | low | 0 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | human metabolite; rat metabolite |
cetyl alcohol | [no description available] | low | 0 | 0 | hexadecanol; long-chain primary fatty alcohol | algal metabolite; flavouring agent; human metabolite; plant metabolite |
tele-methylhistamine | [no description available] | low | 0 | 0 | imidazoles; primary amino compound | human metabolite; mouse metabolite |
indolepropionic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | auxin; human metabolite; plant metabolite |
3-phenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
2-phenylglycine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid | human metabolite |
sebacic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite; plant metabolite |
succinylacetone | [no description available] | low | 0 | 0 | beta-diketone; dioxo monocarboxylic acid | human metabolite |
retinoic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; retinoid | human metabolite |
uridine monophosphate | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
n-pentanol | [no description available] | low | 0 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
ethylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | human metabolite |
skatole | [no description available] | low | 0 | 0 | methylindole | human metabolite; mammalian metabolite |
quinaldic acid | [no description available] | low | 0 | 0 | quinolinemonocarboxylic acid | human metabolite; Saccharomyces cerevisiae metabolite |
3-methylpentane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | allelochemical; human metabolite; non-polar solvent |
methylcyclopentane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | human metabolite; plant metabolite |
1-phenethylamine | [no description available] | low | 0 | 0 | phenylethylamine | human metabolite |
isethionic acid | [no description available] | low | 0 | 0 | alkanesulfonic acid | human metabolite |
methylcyclohexane | [no description available] | low | 0 | 0 | cycloalkane; volatile organic compound | aprotic solvent; human metabolite; plant metabolite |
piperidine | [no description available] | low | 0 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
undecanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antifungal agent; human metabolite |
1-tridecanol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; tridecanol | bacterial metabolite; human metabolite; plant metabolite |
stearyl alcohol | [no description available] | low | 0 | 0 | long-chain primary fatty alcohol; octadecanol | algal metabolite; human metabolite; plant metabolite |
acetol | [no description available] | low | 0 | 0 | methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones | Escherichia coli metabolite; human metabolite; mouse metabolite |
2-methylbutanoic acid | [no description available] | low | 0 | 0 | methylbutyric acid | bacterial metabolite; human metabolite |
isopropyl palmitate | [no description available] | low | 0 | 0 | fatty acid ester; isopropyl ester | human metabolite |
dibenzo(a,l)pyrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | human metabolite; mutagen |
diiodotyrosine | [no description available] | low | 0 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
3-methoxytyrosine | [no description available] | low | 0 | 0 | aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid | human metabolite |
thiocyanate | [no description available] | low | 0 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
4-hydroxyphenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; phenols | bacterial metabolite; human metabolite |
nandrolone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
homocystine | [no description available] | low | 0 | 0 | amino acid zwitterion; homocystines | human metabolite |
glycocholic acid | [no description available] | low | 0 | 0 | bile acid glycine conjugate | human metabolite |
ninhydrin | [no description available] | low | 0 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
indican | [no description available] | low | 0 | 0 | aryl sulfate; indoles | human metabolite |
suberic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
hexadecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
pyridoxamine dihydrochloride | [no description available] | low | 0 | 0 | hydrochloride; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
aceturic acid | [no description available] | low | 0 | 0 | N-acetyl-amino acid; N-acylglycine | human metabolite |
glycylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
lignoceric acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component |
18-hydroxycorticosterone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
2-hydroxybutyric acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; hydroxybutyric acid | algal metabolite; human metabolite |
3-methylhexane | [no description available] | low | 0 | 0 | alkane; volatile organic compound | human metabolite |
ethylmalonic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
galactitol | [no description available] | low | 0 | 0 | hexitol | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
2-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; phenols | human metabolite; mouse metabolite |
5-methyl-2-furfural | [no description available] | low | 0 | 0 | aldehyde; furans | EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product |
2-hexanol | [no description available] | low | 0 | 0 | hexanol; secondary alcohol | human metabolite; plant metabolite; semiochemical |
1,1,3,3-tetramethylurea | [no description available] | low | 0 | 0 | ureas | human metabolite |
glycochenodeoxycholic acid | [no description available] | low | 0 | 0 | bile acid glycine conjugate | human metabolite |
isocaproic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid | human metabolite |
homoserine | [no description available] | low | 0 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
dodecanedioic acid | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite |
deoxyuridine | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-pentene-3-one | [no description available] | low | 0 | 0 | enone | flavouring agent; genotoxin; human metabolite; plant metabolite |
9,10-epoxystearic acid | [no description available] | low | 0 | 0 | epoxystearic acid | human metabolite |
5-hydroxyindole | [no description available] | low | 0 | 0 | hydroxyindoles | human metabolite |
beta-hydroxymyristic acid | [no description available] | low | 0 | 0 | 3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid | bacterial metabolite; human metabolite |
perillaldehyde | [no description available] | low | 0 | 0 | aldehyde; olefinic compound | human metabolite; mouse metabolite; volatile oil component |
tricosanoic acid | [no description available] | low | 0 | 0 | straight-chain saturated fatty acid; very long-chain fatty acid | Daphnia magna metabolite; human metabolite; plant metabolite |
tetrahydropapaveroline | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | human metabolite |
furoylglycine | [no description available] | low | 0 | 0 | furans; N-acylglycine | human metabolite |
3,3',5'-triiodothyronine | [no description available] | low | 0 | 0 | iodothyronine | human metabolite |
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 |
urobilinogen | [no description available] | low | 0 | 0 | bilanes | human metabolite |
estetrol | [no description available] | low | 0 | 0 | 15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone | estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive |
iron | [no description available] | low | 0 | 0 | divalent metal cation; iron cation; monoatomic dication | cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
1-methyladenosine | [no description available] | low | 0 | 0 | methyladenosine | human metabolite |
norsalsolinol | [no description available] | low | 0 | 0 | isoquinolinol | animal metabolite; apoptosis inducer; human metabolite; marine metabolite |
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline | [no description available] | low | 0 | 0 | isoquinolinol; tertiary amino compound | human metabolite; neurotoxin; rat metabolite |
d-lactic acid | [no description available] | low | 0 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
xanthosine | [no description available] | low | 0 | 0 | purines D-ribonucleoside; xanthosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
homocitrulline | [no description available] | low | 0 | 0 | amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas | human metabolite; mouse metabolite |
n-acetylserine | [no description available] | low | 0 | 0 | acetyl-L-serine; N-acetyl-L-amino acid | human metabolite |
o-4-methylthymine | [no description available] | low | 0 | 0 | aromatic ether; methylthymine | human metabolite |
lathosterol | [no description available] | low | 0 | 0 | 3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol | human metabolite; mouse metabolite |
omega-aminocaprylic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; omega-amino fatty acid | human metabolite |
parabanic acid | [no description available] | low | 0 | 0 | hydracid; imidazolidinone | human metabolite |
n-acetyl-l-arginine | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid | human metabolite |
cystine | [no description available] | low | 0 | 0 | cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
6-methyladenine | [no description available] | low | 0 | 0 | 6-alkylaminopurine; methyladenine | human metabolite |
phenylacetylglycine | [no description available] | low | 0 | 0 | monocarboxylic acid amide; monocarboxylic acid; N-acylglycine | human metabolite; mouse metabolite |
hydracrylic acid | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid | Escherichia coli metabolite; human metabolite |
hordenine | [no description available] | low | 0 | 0 | phenethylamine alkaloid | human metabolite; mouse metabolite |
4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols | estrogen; human metabolite; rat metabolite |
glutaurine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid | anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite |
ubiquinone-o | [no description available] | low | 0 | 0 | ubiquinones | Escherichia coli metabolite; human metabolite |
beta-hydroxyisovaleric acid | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid | human metabolite |
n-acetylhistamine | [no description available] | low | 0 | 0 | acetamides; imidazoles | human metabolite |
indole-3-carboxylic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | bacterial metabolite; human metabolite |
n-acetylglutamic acid | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N-acyl-L-glutamic acid | human metabolite; Saccharomyces cerevisiae metabolite |
2,5-dihydroxybenzaldehyde | [no description available] | low | 0 | 0 | dihydroxybenzaldehyde | human metabolite; mouse metabolite; Penicillium metabolite |
D-alanine | [no description available] | low | 0 | 0 | alanine zwitterion; alanine; D-alpha-amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite |
2-ketopentanoic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; oxopentanoic acid | human metabolite |
hydroxyindoleacetaldehyde | [no description available] | low | 0 | 0 | hydroxyindoles; indoleacetaldehyde | human metabolite; mouse metabolite |
leucylleucine | [no description available] | low | 0 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human metabolite; Mycoplasma genitalium metabolite |
5-hydroxymethyluracil | [no description available] | low | 0 | 0 | primary alcohol; pyrimidone | human metabolite |
12-hydroxydodecanoic acid | [no description available] | low | 0 | 0 | omega-hydroxy-medium-chain fatty acid | human metabolite |
4-nitrophenyl sulfate | [no description available] | low | 0 | 0 | aryl sulfate; C-nitro compound | human metabolite |
glucose-1,6-bisphosphate | [no description available] | low | 0 | 0 | D-glucose 1,6-bisphosphate | Escherichia coli metabolite; human metabolite |
biotinamide | [no description available] | low | 0 | 0 | biotins; monocarboxylic acid amide | human metabolite |
3-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; phenols | human metabolite |
n-acetylalanine | [no description available] | low | 0 | 0 | L-alanine derivative; N-acetyl-L-amino acid | human metabolite; Saccharomyces cerevisiae metabolite |
cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; cholestanoid | human metabolite; plant metabolite |
2-pinene oxide | [no description available] | low | 0 | 0 | epoxide; pinane monoterpenoid | bacterial xenobiotic metabolite; fragrance; human metabolite |
1-methylhistidine | [no description available] | low | 0 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite |
3-hydroxybutyric acid | [no description available] | low | 0 | 0 | 3-hydroxybutyric acid; ketone body | fungal metabolite; human metabolite; pheromone |
testosterone acetate | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; androstanoid; sterol ester | human metabolite |
phenylacetylglutamine | [no description available] | low | 0 | 0 | N(2)-phenylacetylglutamine | human metabolite |
5beta-pregnane-3,20-dione | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid | human metabolite; mouse metabolite |
zymosterol | [no description available] | low | 0 | 0 | 3beta-sterol; cholestanoid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-alpha-dihydroprogesterone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone | human metabolite; progestogen |
n-epsilon-acetyllysine | [no description available] | low | 0 | 0 | acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine | human metabolite |
2-hydroxyhexadecanoic acid | [no description available] | low | 0 | 0 | 2-hydroxy fatty acid; hydroxypalmitic acid | human metabolite |
19-oxo-delta(4) androstene-3,17-dione | [no description available] | low | 0 | 0 | 17-oxo steroid; 19-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid; steroid aldehyde | human metabolite |
gamma-glutamylglutamate | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
indole-3-lactic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid; indol-3-yl carboxylic acid | human metabolite |
n(alpha)-acetyllysine | [no description available] | low | 0 | 0 | acetyl-L-lysine; amino acid zwitterion | human metabolite |
glycyl-l-phenylalanine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | human metabolite; metabolite |
5,6-dihydrothymine | [no description available] | low | 0 | 0 | pyrimidone | human metabolite; metabolite; mouse metabolite |
gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide | human metabolite |
cholest-5-ene-3 beta,26-diol | [no description available] | low | 0 | 0 | 26-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
2-hydroxyisovaleric acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid | human metabolite |
aminomalonic acid | [no description available] | low | 0 | 0 | amino dicarboxylic acid | Daphnia magna metabolite; human metabolite |
zymostenol | [no description available] | low | 0 | 0 | 3beta-sterol; cholestanoid | human metabolite; mouse metabolite |
16-hydroxydehydroepiandrosterone | [no description available] | low | 0 | 0 | 16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cortisol 21-sulfate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone | human metabolite |
aflatoxin b1-2,3-oxide | [no description available] | low | 0 | 0 | aflatoxin | human metabolite |
fructose 2,6-diphosphate | [no description available] | low | 0 | 0 | D-fructofuranose 2,6-bisphosphate | human metabolite; mouse metabolite |
pregnenolone sulfate | [no description available] | low | 0 | 0 | steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite |
3,3'-diiodothyronine | [no description available] | low | 0 | 0 | 3,3'-diiodothyronine; amino acid zwitterion | human metabolite |
l-lactic acid | [no description available] | low | 0 | 0 | (2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
propionylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug |
testosterone 17-glucosiduronate | [no description available] | low | 0 | 0 | 3-oxo steroid; beta-D-glucosiduronic acid; enone; steroid glucosiduronic acid | human metabolite |
3-chloro-L-tyrosine | [no description available] | low | 0 | 0 | chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid | biomarker; human metabolite |
androsterone glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; metabolite; mouse metabolite |
1,5(10)-estradiene-3,4,17-trione | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(1) steroid; orthoquinones | human metabolite |
s-sulphocysteine | [no description available] | low | 0 | 0 | organic thiosulfate; S-substituted L-cysteine | human metabolite; plant metabolite |
estrone-3-glucuronide | [no description available] | low | 0 | 0 | 17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; mouse metabolite |
3,4-dihydroxyphenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
1-hydroxyethyl radical | [no description available] | low | 0 | 0 | organic anion | human metabolite; Saccharomyces cerevisiae metabolite |
(20s)-20-hydroxycholesterol | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol | human metabolite; mouse metabolite |
deoxyhypusine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | human metabolite |
3,7,12-trihydroxycoprostanic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid | human metabolite |
triiodothyronine sulfate | [no description available] | low | 0 | 0 | aryl sulfate; O-sulfoamino acid | human metabolite |
3,7,12-trihydroxycholestan-26-oic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; hydroxy monocarboxylic acid; steroid acid | human metabolite |
erythrose 4-phosphate | [no description available] | low | 0 | 0 | erythrose phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
n(8)-acetylspermidine | [no description available] | low | 0 | 0 | acetylspermidine | Escherichia coli metabolite; human metabolite |
pristanic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid | human metabolite |
gamma-glutamylcysteine | [no description available] | low | 0 | 0 | gamma-glutamylcysteine | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
27-hydroxycholesterol | [no description available] | low | 0 | 0 | 26-hydroxycholesterol | apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent |
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; furoic acid | human metabolite; uremic toxin |
dehydroalanine | [no description available] | low | 0 | 0 | 2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid | alkylating agent; human metabolite; mouse metabolite |
hypothiocyanite ion | [no description available] | low | 0 | 0 | one-carbon compound; sulfur oxoacid | antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite |
3-c-methylerythritol | [no description available] | low | 0 | 0 | tetritol | human metabolite |
succinylacetoacetate | [no description available] | low | 0 | 0 | alpha,omega-dicarboxylic acid; beta-diketone | human metabolite |
isoursodeoxycholic acid | [no description available] | low | 0 | 0 | dihydroxy-5beta-cholanic acid | human metabolite |
mannitol-1-phosphate | [no description available] | low | 0 | 0 | alditol 1-phosphate; hexitol phosphate | Escherichia coli metabolite; human metabolite |
kinetensin | [no description available] | low | 0 | 0 | oligopeptide | histamine releasing agent; human metabolite |
estra-1(10),4-diene-2,3,17-trione | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; orthoquinones | human metabolite |
2'-deoxycytidine diphosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n-methylserotonin | [no description available] | low | 0 | 0 | phenols; tryptamines | human metabolite; plant metabolite |
gamma-glutamylglutamine | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
3,4-dihydroxybutanoic acid | [no description available] | low | 0 | 0 | 3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid | human metabolite |
n-palmitoylglycine | [no description available] | low | 0 | 0 | fatty amide; N-acylglycine 16:0 | human metabolite; marine metabolite |
gamma-glutamyl-leucine | [no description available] | low | 0 | 0 | glutamyl-L-amino acid | human metabolite |
ribulose | [no description available] | low | 0 | 0 | ribulose | Escherichia coli metabolite; human metabolite |
3,4-dihydroxyphenylglycolaldehyde | [no description available] | low | 0 | 0 | catechols; hydroxyaldehyde | human metabolite; mouse metabolite; neurotoxin |
androsterone sulfate | [no description available] | low | 0 | 0 | 17-oxo steroid; androstanoid; steroid sulfate | human metabolite; mouse metabolite |
3,7,12-trihydroxycoprostane | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
saccharopine | [no description available] | low | 0 | 0 | amino acid opine; L-lysine derivative | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allysine | [no description available] | low | 0 | 0 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
orotidylic acid | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
allocholic acid | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid | human metabolite; marine metabolite; rat metabolite |
beta-ureidoisobutyric acid | [no description available] | low | 0 | 0 | ureidocarboxylic acid | human metabolite; mouse metabolite |
kynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nicotinate ribonucleoside | [no description available] | low | 0 | 0 | ammonium betaine | human metabolite |
n(6)-(n-threonylcarbonyl)adenosine | [no description available] | low | 0 | 0 | L-threonine derivative; N-(adenosin-N(6)-ylcarbonyl)threonine | Escherichia coli metabolite; human metabolite |
sedoheptulose 7-phosphate | [no description available] | low | 0 | 0 | ketoheptose phosphate; sedoheptulose derivative | Escherichia coli metabolite; human metabolite; mouse metabolite |
histidinol | [no description available] | low | 0 | 0 | amino alcohol; imidazoles | EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
thiocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; S-substituted L-cysteine | human metabolite; mouse metabolite |
nicotinic acid adenine dinucleotide | [no description available] | low | 0 | 0 | nicotinic acid dinucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol | [no description available] | low | 0 | 0 | 3beta-sterol | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
bradykinin, des-phe(8)-des-arg(9)- | [no description available] | low | 0 | 0 | oligopeptide | human metabolite; rat metabolite |
isobutyryl-1-carnitine | [no description available] | low | 0 | 0 | methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine | human metabolite |
threitol | [no description available] | low | 0 | 0 | threitol | human metabolite |
aceglutamide | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine | human metabolite |
isospaglumic acid | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
2'-deoxyadenosine triphosphate | [no description available] | low | 0 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
2-ethylhydracrylic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid | human metabolite |
2-methyl-3-oxovaleric acid | [no description available] | low | 0 | 0 | 3-oxo monocarboxylic acid | human metabolite |
monoacetylcadaverine | [no description available] | low | 0 | 0 | acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide | human metabolite |
maltotriose | [no description available] | low | 0 | 0 | maltotriose trisaccharide | human metabolite |
cholestane-3,7,12,26-tetrol | [no description available] | low | 0 | 0 | 12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
beta-leucine | [no description available] | low | 0 | 0 | beta-amino acid | human metabolite |
2-methylbutyrylglycine | [no description available] | low | 0 | 0 | N-acylglycine | human metabolite |
neurotensin (1-8) | [no description available] | low | 0 | 0 | peptide zwitterion; peptide | human metabolite |
cholesteryl palmitate | [no description available] | low | 0 | 0 | cholesteryl ester | human metabolite; mouse metabolite |
5-hydroxyisourate | [no description available] | low | 0 | 0 | oxopurine | human metabolite; mouse metabolite |
5-formyluracil | [no description available] | low | 0 | 0 | aldehyde; nucleobase analogue; pyrimidone | human metabolite; mutagen |
taurochenodeoxycholic acid | [no description available] | low | 0 | 0 | bile acid taurine conjugate | human metabolite; mouse metabolite |
5'-methylthioadenosine | [no description available] | low | 0 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5'-deoxyadenosine | [no description available] | low | 0 | 0 | 5'-deoxyribonucleoside; adenosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
isomaltose | [no description available] | low | 0 | 0 | glycosylglucose | human metabolite; metabolite; mouse metabolite |
glucosamine 6-phosphate | [no description available] | low | 0 | 0 | 2-amino-2-deoxy-D-glucopyranose 6-phosphate | human metabolite; Saccharomyces cerevisiae metabolite |
dopaquinone | [no description available] | low | 0 | 0 | 1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative | human metabolite; mouse metabolite |
pantetheine | [no description available] | low | 0 | 0 | pantetheines; thiol | human metabolite; metabolite; mouse metabolite |
tryptophanamide | [no description available] | low | 0 | 0 | amino acid amide; tryptophan derivative | human metabolite |
5-diphosphomevalonic acid | [no description available] | low | 0 | 0 | carboxyalkyl phosphate | human metabolite; mouse metabolite |
7-dehydrocholesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol | human metabolite; mouse metabolite |
cysteinylglycine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
desmosterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid | human metabolite; mouse metabolite |
n'-formylkynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
fuculose 1-phosphate | [no description available] | low | 0 | 0 | deoxyaldohexose phosphate | human metabolite |
nicotinamide-beta-riboside | [no description available] | low | 0 | 0 | N-glycosylnicotinamide; pyridine nucleoside | geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
4-hydroxyphenylacetaldehyde | [no description available] | low | 0 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite |
trimethyllysine | [no description available] | low | 0 | 0 | alpha-amino-acid cation | human metabolite; mouse metabolite |
inositol 3,4-bisphosphate | [no description available] | low | 0 | 0 | myo-inositol bisphosphate | human metabolite; mouse metabolite |
n-acetylglucosamine-1-phosphate | [no description available] | low | 0 | 0 | N-acetyl-D-glucosamine 1-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
2-methoxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols | human metabolite; mouse metabolite |
estradiol-3-glucuronide | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid | human metabolite; mouse metabolite |
acetyl adenylate | [no description available] | low | 0 | 0 | 5'-acylphosphoadenosin | human metabolite; mouse metabolite |
4,4-dimethylcholesta-8,14,24-trienol | [no description available] | low | 0 | 0 | 3beta-sterol; Delta(14) steroid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
7-ketolithocholic acid | [no description available] | low | 0 | 0 | 3alpha-hydroxy steroid; bile acid; monohydroxy-5beta-cholanic acid; oxo-5beta-cholanic acid | human metabolite |
dephosphocoenzyme a | [no description available] | low | 0 | 0 | adenosine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
ribothymidine | [no description available] | low | 0 | 0 | methyluridine | antigen; Escherichia coli metabolite; human metabolite |
tetragastrin | [no description available] | low | 0 | 0 | peptidyl amide; tetrapeptide | anxiogenic; human metabolite |
hexanoyl-coenzyme a | [no description available] | low | 0 | 0 | medium-chain fatty acyl-CoA | Escherichia coli metabolite; human metabolite; mouse metabolite |
tyrosine o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate; L-tyrosine derivative; O-sulfoamino acid | human metabolite |
n-methylproline | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound | human metabolite; plant metabolite |
citraconic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; dicarboxylic fatty acid | human metabolite |
flavin mononucleotide | [no description available] | low | 0 | 0 | flavin mononucleotide; vitamin B2 | bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite |
mannose 1-phosphate | [no description available] | low | 0 | 0 | mannose phosphate | fundamental metabolite; human metabolite |
cholesterol acetate | [no description available] | low | 0 | 0 | acetate ester; cholesteryl ester | human metabolite |
1,6-anhydro-beta-glucopyranose | [no description available] | low | 0 | 0 | anhydrohexose | Arabidopsis thaliana metabolite; biomarker; human metabolite |
glycylvaline | [no description available] | low | 0 | 0 | dipeptide | human metabolite |
sodium taurodeoxycholate | [no description available] | low | 0 | 0 | bile acid taurine conjugate | human metabolite |
hydroxylysine | [no description available] | low | 0 | 0 | 5-hydroxylysine; hydroxy-L-lysine | human metabolite |
glycodeoxycholic acid | [no description available] | low | 0 | 0 | bile acid glycine conjugate | human metabolite |
isobutyryl-coenzyme a | [no description available] | low | 0 | 0 | methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA | human metabolite; mouse metabolite |
galactaric acid | [no description available] | low | 0 | 0 | hexaric acid | human metabolite |
dihydroxycoprostane | [no description available] | low | 0 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid | human metabolite; mouse metabolite |
angiotensin i, ile(5)- | [no description available] | low | 0 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
fructosyl-glycine | [no description available] | low | 0 | 0 | fructosamine; glycine derivative; glyco-amino acid | human metabolite |
arachidoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | human metabolite |
lignoceroyl-coenzyme a | [no description available] | low | 0 | 0 | very long-chain fatty acyl-CoA | human metabolite; Saccharomyces cerevisiae metabolite |
5-hydroxybenzimidazole | [no description available] | low | 0 | 0 | benzimidazoles; phenols | bacterial metabolite; human metabolite; rat metabolite |
n-carbamylglutamate | [no description available] | low | 0 | 0 | glutamic acid derivative; ureas | human metabolite |
citramalate | [no description available] | low | 0 | 0 | dicarboxylic acid dianion | human metabolite; plant metabolite |
4-cresol sulfate | [no description available] | low | 0 | 0 | aryl sulfate | gut flora metabolite; human metabolite; uremic toxin |
leukotriene a4 | [no description available] | low | 0 | 0 | epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid | human metabolite; mouse metabolite; plant metabolite |
psychosine | [no description available] | low | 0 | 0 | glycosylsphingoid | human metabolite |
prostaglandin f2beta | [no description available] | low | 0 | 0 | prostaglandins Fbeta | human metabolite |
15-keto-5,8,11,13-eicosatetraenoic acid | [no description available] | low | 0 | 0 | oxoicosatetraenoic acid | human metabolite |
15-hydroxy-5,8,11,13-eicosatetraenoic acid | [no description available] | low | 0 | 0 | (5Z,8Z,11Z,13E)-15-HETE | human metabolite; mouse metabolite |
5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | HETE | human metabolite; mouse metabolite |
leukotriene d4 | [no description available] | low | 0 | 0 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
prostaglandin b2 | [no description available] | low | 0 | 0 | prostaglandins B | human metabolite |
prostaglandin g2 | [no description available] | low | 0 | 0 | prostaglandins G | human metabolite; mouse metabolite |
11-dehydro-thromboxane b2 | [no description available] | low | 0 | 0 | thromboxane | human metabolite |
prostaglandin e3 | [no description available] | low | 0 | 0 | prostaglandins E | human metabolite |
leukotriene f-4 | [no description available] | low | 0 | 0 | dipeptide; leukotriene; organic sulfide | human metabolite |
previtamin d(3) | [no description available] | low | 0 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol | human metabolite |
brassicasterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor |
prostaglandin d3 | [no description available] | low | 0 | 0 | prostaglandins D | human metabolite |
11-ketotestosterone | [no description available] | low | 0 | 0 | 11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; human metabolite; marine xenobiotic metabolite |
phthioic acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid | Aspergillus metabolite; human metabolite |
2-decenoic acid | [no description available] | low | 0 | 0 | 2-decenoic acid | human metabolite |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | low | 0 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
17-phenyltrinorprostaglandin e2 | [no description available] | low | 0 | 0 | alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol | human metabolite; prostaglandin receptor agonist |
thromboxane b3 | [no description available] | low | 0 | 0 | thromboxanes B | human metabolite; mouse metabolite |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid; HETE | human metabolite; pro-angiogenic agent |
5-oxo-6,8,11,14-eicosatetraenoic acid | [no description available] | low | 0 | 0 | oxoicosatetraenoic acid | human metabolite; immunomodulator; mouse metabolite |
8-isoprostaglandin e2 | [no description available] | low | 0 | 0 | cyclic ketone; diol; prostanoid; secondary alcohol | bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent |
monolinolein | [no description available] | low | 0 | 0 | 1-acylglycerol 18:2; rac-1-monoacylglycerol | antiviral agent; human metabolite; plant metabolite |
1,25-dihydroxy-24-oxo-vitamin d3 | [no description available] | low | 0 | 0 | hydroxycalciol; oxocalciol; tertiary alpha-hydroxy ketone | human metabolite |
calcifediol | [no description available] | low | 0 | 0 | D3 vitamins; diol; hydroxycalciol | bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical |
cerium | [no description available] | low | 0 | 0 | CE(18:2); cholesteryl octadeca-9,12-dienoate | human metabolite; mouse metabolite |
xylulose | [no description available] | low | 0 | 0 | xylulose | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
11-dehydrocorticosterone | [no description available] | low | 0 | 0 | 11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
1-butyl oleate | [no description available] | low | 0 | 0 | fatty acid ester | human metabolite |
8-hydroxyadenine | [no description available] | low | 0 | 0 | 6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine | bacterial metabolite; human metabolite |
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 |
vitamin mk 8 | [no description available] | low | 0 | 0 | menaquinone | Escherichia coli metabolite; human metabolite |
2,3-oxidosqualene | [no description available] | low | 0 | 0 | 2,3-epoxysqualene | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
2-keto-4-hydroxyglutarate | [no description available] | low | 0 | 0 | oxo dicarboxylate | human metabolite; Saccharomyces cerevisiae metabolite |
iditol | [no description available] | low | 0 | 0 | iditol | fungal metabolite; human metabolite |
glutamate | [no description available] | low | 0 | 0 | glutamate(1-); polar amino acid zwitterion | EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; human metabolite; Saccharomyces cerevisiae metabolite |
fumarates | [no description available] | low | 0 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
cerotate | [no description available] | low | 0 | 0 | fatty acid anion 26:0; omega-methyl fatty acid anion; very long-chain fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
adenosine triphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-triphoshate(4-) | cofactor; fundamental metabolite; human metabolite |
docosapentaenoic acid | [no description available] | low | 0 | 0 | docosapentaenoic acid; omega-3 fatty acid | algal metabolite; human metabolite |
3-methylbutyrylcarnitine | [no description available] | low | 0 | 0 | C5-acylcarnitine | human metabolite |
hexanoylcarnitine | [no description available] | low | 0 | 0 | hexanoate ester; O-acylcarnitine | human metabolite |
linoleamide | [no description available] | low | 0 | 0 | primary fatty amide | human metabolite |
4-oxo-2-nonenal | [no description available] | low | 0 | 0 | enal; enone | human metabolite |
20,22-dihydroxycholesterol | [no description available] | low | 0 | 0 | 20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol | human metabolite; mouse metabolite |
biotinate | [no description available] | low | 0 | 0 | monocarboxylic acid anion; vitamin B7 | cofactor; human metabolite; Saccharomyces cerevisiae metabolite |
fuculose | [no description available] | low | 0 | 0 | deoxyketohexose | Escherichia coli metabolite; human metabolite |
gamma-glutamylvaline | [no description available] | low | 0 | 0 | glutamyl-L-amino acid | human metabolite |
ophthalmic acid | [no description available] | low | 0 | 0 | L-glutamine derivative | biomarker; human metabolite |
adenosine diphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-diphosphate(3-) | fundamental metabolite; human metabolite |
cyclic amp | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
1,23,25-trihydroxyvitamin d3 | [no description available] | low | 0 | 0 | D3 vitamins; hydroxy seco-steroid; hydroxycalciol; tetrol | human metabolite |
homocarnosine | [no description available] | low | 0 | 0 | dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid | human metabolite |
3-hydroxyproline | [no description available] | low | 0 | 0 | 3-hydroxyproline; amino acid zwitterion; D-proline derivative | bacterial metabolite; human metabolite |
octanoylcarnitine | [no description available] | low | 0 | 0 | O-octanoylcarnitine; saturated fatty acyl-L-carnitine | human metabolite |
palmitoylcarnitine | [no description available] | low | 0 | 0 | O-palmitoylcarnitine; saturated fatty acyl-L-carnitine | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite |
cyclic 3',5'-thymidine monophosphate | [no description available] | low | 0 | 0 | 3',5'-cyclic pyrimidine nucleotide | human metabolite |
pristanal | [no description available] | low | 0 | 0 | 2-methyl-branched fatty aldehyde; saturated fatty aldehyde | human metabolite |
lanosten-3-ol-32-al | [no description available] | low | 0 | 0 | 14alpha-formyl steroid; 3beta-sterol; tetracyclic triterpenoid | human metabolite |
thiamine pyrophosphate | [no description available] | low | 0 | 0 | organophosphate oxoanion; vitamin B1 | human metabolite; Saccharomyces cerevisiae metabolite |
adenosine monophosphate | [no description available] | low | 0 | 0 | nucleoside 5'-monophosphate(2-) | cofactor; fundamental metabolite; human metabolite |
cob(ii)alamin | [no description available] | low | 0 | 0 | cobalamin | cofactor; human metabolite |
nociceptin | [no description available] | low | 0 | 0 | organic molecular entity; polypeptide | human metabolite; rat metabolite |
3-hydroxy-3-methyl-hexanoic acid | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; volatile organic compound | human metabolite |
uridine diphosphate | [no description available] | low | 0 | 0 | nucleoside 5'-diphosphate(3-) | human metabolite; Saccharomyces cerevisiae metabolite |
n-acetylgalactosamine-1-phosphate | [no description available] | low | 0 | 0 | D-galactosamine 1-phosphate | human metabolite |
1-phospho-5-s-methylthioribulose | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
10-nitro-oleic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid | human metabolite |
ticrynafen | [no description available] | low | 0 | 0 | monocarboxylic acid anion; organophosphate oxoanion | human metabolite |
s-(1,2-dicarboxyethyl)cysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; tricarboxylic acid | human metabolite; Maillard reaction product |
neurotensin | [no description available] | low | 0 | 0 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
apelin-13 peptide | [no description available] | low | 0 | 0 | oligopeptide | antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent |
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe | [no description available] | low | 0 | 0 | polypeptide | apoptosis inhibitor; human metabolite; neuroprotective agent |
taurolithocholic acid 3-sulfate | [no description available] | low | 0 | 0 | steroid sulfate oxoanion | human metabolite |
inositol 1,3,4-trisphosphate | [no description available] | low | 0 | 0 | inositol phosphate oxoanion | human metabolite |
diadenosine tetraphosphate | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
2-ketoarginine | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid; zwitterion | human metabolite; mouse metabolite |
adenosine diphosphate glucose | [no description available] | low | 0 | 0 | NDP-alpha-D-glucose(2-); ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) | human metabolite |
nicotinate mononucleotide | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
oleoylcarnitine | [no description available] | low | 0 | 0 | monounsaturated fatty acyl-L-carnitine | glycine transporter 2 inhibitor; human metabolite |
6-phosphogluconolactone | [no description available] | low | 0 | 0 | organophosphate oxoanion | human metabolite; Saccharomyces cerevisiae metabolite |
3-hydroxyisovalerylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | human metabolite |
angiotensin i | [no description available] | low | 0 | 0 | angiotensin; peptide zwitterion | antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite |
lugdunin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines | human metabolite; rat metabolite |
deoxyinosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
deoxyguanosine triphosphate | [no description available] | low | 0 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
7,8-dihydroneopterin | [no description available] | low | 0 | 0 | dihydropterin; neopterins | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
deoxyinosine monophosphate | [no description available] | low | 0 | 0 | deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
inosinic acid | [no description available] | low | 0 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
inosine triphosphate | [no description available] | low | 0 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
dyspropterin | [no description available] | low | 0 | 0 | biopterins; tetrahydropterin | human metabolite; metabolite; mouse metabolite |
n(2),n(2)-dimethylguanosine | [no description available] | low | 0 | 0 | methylguanosine | human metabolite |
creatinine | [no description available] | low | 0 | 0 | imidazolidinone; lactam | diagnostic agent; human metabolite |
apelin-12 peptide | [no description available] | low | 0 | 0 | oligopeptide | biomarker; human blood serum metabolite; human metabolite; neuroprotective agent |