Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
tele-methylhistamine | [no description available] | medium | 1 | 0 | | |
dimaprit | [no description available] | medium | 256 | 0 | imidothiocarbamic ester | |
dimaprit | [no description available] | medium | 256 | 1 | imidothiocarbamic ester | |
impromidine | [no description available] | medium | 97 | 0 | | |
impromidine | [no description available] | medium | 97 | 1 | | |
sk&f 91486 | [no description available] | medium | 5 | 0 | | |
n-methylhistamine | [no description available] | medium | 8 | 0 | aralkylamine | |
cimetidine | [no description available] | high | 1,127 | 41 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
cimetidine | [no description available] | high | 1,127 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
tele-methylhistamine | [no description available] | high | 111 | 0 | imidazoles; primary amino compound | human metabolite; mouse metabolite |
pyrilamine | [no description available] | medium | 885 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
pyrilamine | [no description available] | medium | 885 | 9 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
ranitidine | [no description available] | medium | 4 | 0 | aralkylamine | |
dexchlorpheniramine | [no description available] | medium | 10 | 0 | chlorphenamine | |
dexchlorpheniramine | [no description available] | medium | 10 | 1 | chlorphenamine | |
4-methylhistamine | [no description available] | medium | 83 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
4-methylhistamine | [no description available] | medium | 83 | 1 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
tiotidine | [no description available] | medium | 48 | 0 | thiazoles | |
2-methylhistamine | [no description available] | medium | 42 | 0 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
2-methylhistamine | [no description available] | medium | 42 | 1 | aralkylamino compound; imidazoles | histamine agonist; metabolite |
alpha-methylhistamine | [no description available] | medium | 21 | 0 | aralkylamino compound; imidazoles | H3-receptor agonist |
dexchlorpheniramine | [no description available] | medium | 2 | 0 | chlorphenamine | |
metiamide | [no description available] | high | 312 | 2 | imidazoles | |
metiamide | [no description available] | high | 312 | 0 | imidazoles | |
burimamide | [no description available] | high | 107 | 1 | imidazoles | |
burimamide | [no description available] | high | 107 | 0 | imidazoles | |
thioperamide | [no description available] | medium | 189 | 0 | primary aliphatic amine | |
(2S)-1-(1H-imidazol-5-yl)-2-propanamine | [no description available] | medium | 7 | 0 | aralkylamine | |
histamine trifluoromethyl-toluidide | [no description available] | medium | 11 | 0 | (trifluoromethyl)benzenes | |
mifentidine | [no description available] | medium | 7 | 0 | | |
betahistine | [no description available] | medium | 33 | 0 | aminoalkylpyridine; secondary amino compound | H1-receptor agonist; vasodilator agent |
betahistine | [no description available] | medium | 33 | 1 | aminoalkylpyridine; secondary amino compound | H1-receptor agonist; vasodilator agent |
2-(2-aminoethyl)thiazole | [no description available] | medium | 36 | 0 | 1,3-thiazoles | |
2-(3-trifluoromethylphenyl)histamine | [no description available] | medium | 12 | 0 | | |
imetit | [no description available] | medium | 39 | 0 | imidazoles; imidothiocarbamic ester | H3-receptor agonist; H4-receptor agonist |
imidazolyl-4-propylamine | [no description available] | medium | 6 | 0 | | |
4-(1h-imidazol-4-ylmethyl)piperidine | [no description available] | medium | 29 | 0 | piperidines | |
impentamine | [no description available] | medium | 6 | 0 | | |
4-(1h-imidazol-4-yl)butanamine | [no description available] | medium | 6 | 0 | | |
cetirizine | [no description available] | medium | 164 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
cetirizine | [no description available] | medium | 164 | 79 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
cyproheptadine | [no description available] | medium | 112 | 0 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
cyproheptadine | [no description available] | medium | 112 | 19 | piperidines; tertiary amine | anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist |
triprolidine | [no description available] | medium | 59 | 0 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
triprolidine | [no description available] | medium | 59 | 12 | N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
clonidine | [no description available] | medium | 90 | 0 | clonidine; imidazoline | |
clonidine | [no description available] | medium | 90 | 5 | clonidine; imidazoline | |
guanethidine | [no description available] | medium | 75 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
guanethidine | [no description available] | medium | 75 | 1 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
papaverine | [no description available] | medium | 212 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
papaverine | [no description available] | medium | 212 | 1 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
reserpine | [no description available] | medium | 390 | 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 |
reserpine | [no description available] | medium | 390 | 1 | 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 |
hexamethonium chloride | [no description available] | medium | 4 | 0 | | |
quinidine | [no description available] | medium | 29 | 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 |
quinine | [no description available] | medium | 18 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
iodoaminopotentidine | [no description available] | medium | 8 | 0 | | |
ranitidine | [no description available] | medium | 310 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
ranitidine | [no description available] | medium | 310 | 20 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
amantadine | [no description available] | medium | 11 | 0 | adamantanes; primary aliphatic amine | analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic |
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 |
1-methyl-4-phenylpyridinium | [no description available] | medium | 13 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
clobenpropit | [no description available] | medium | 57 | 0 | imidazoles; imidothiocarbamic ester; organochlorine compound | H3-receptor antagonist; H4-receptor agonist |
iodoproxyfan | [no description available] | medium | 10 | 0 | | |
histidinol | [no description available] | high | 3 | 0 | amino alcohol; imidazoles | EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
proxyfan | [no description available] | medium | 9 | 0 | benzyl ether | |
gt 2331 | [no description available] | medium | 2 | 0 | | |
choline | [no description available] | high | 111 | 3 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
choline | [no description available] | high | 111 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
guanidine | [no description available] | medium | 13 | 0 | carboxamidine; guanidines; one-carbon compound | |
tetraethylammonium | [no description available] | medium | 40 | 0 | quaternary ammonium ion | |
isoproterenol | [no description available] | medium | 992 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
isoproterenol | [no description available] | medium | 992 | 7 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
agmatine | [no description available] | high | 13 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
galegine | [no description available] | medium | 1 | 0 | guanidines | |
methylhistaprodifen | [no description available] | medium | 8 | 0 | | |
histaprodifen | [no description available] | medium | 18 | 0 | | |
clozapine | [no description available] | medium | 24 | 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 |
ciproxifan | [no description available] | medium | 24 | 0 | aromatic ketone | |
alpha-ketoglutaric acid | [no description available] | medium | 2 | 0 | oxo dicarboxylic acid | fundamental metabolite |
thiamine | [no description available] | high | 14 | 1 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thiamine | [no description available] | high | 14 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
p-aminohippuric acid | [no description available] | medium | 3 | 0 | N-acylglycine | Daphnia magna metabolite |
verapamil | [no description available] | medium | 146 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
verapamil | [no description available] | medium | 146 | 3 | aromatic ether; nitrile; polyether; tertiary amino compound | |
diphenhydramine | [no description available] | medium | 523 | 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 |
diphenhydramine | [no description available] | medium | 523 | 14 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
lidocaine | [no description available] | medium | 107 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
lidocaine | [no description available] | medium | 107 | 16 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
procainamide | [no description available] | medium | 16 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
n-methylnicotinamide | [no description available] | medium | 5 | 0 | pyridinecarboxamide | metabolite |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine; saturated fatty acyl-L-carnitine | human metabolite; Saccharomyces cerevisiae metabolite |
desipramine | [no description available] | medium | 45 | 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 |
desipramine | [no description available] | medium | 45 | 1 | 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 |
probenecid | [no description available] | medium | 12 | 0 | benzoic acids; sulfonamide | uricosuric drug |
corticosterone | [no description available] | high | 196 | 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 |
tetramethylammonium chloride | [no description available] | medium | 2 | 0 | organic molecular entity | |
tetrapropylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
tetrabutylammonium | [no description available] | medium | 4 | 0 | quaternary ammonium ion | |
metiprenaline | [no description available] | medium | 1 | 0 | | |
cyanine 863 | [no description available] | medium | 1 | 0 | | |
chlorpheniramine | [no description available] | medium | 335 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
chlorpheniramine | [no description available] | medium | 335 | 26 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor |
disopyramide | [no description available] | medium | 8 | 0 | monocarboxylic acid amide; pyridines; tertiary amino compound | anti-arrhythmia drug |
imipramine | [no description available] | medium | 55 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
acecainide | [no description available] | medium | 5 | 0 | acetamides; benzamides | anti-arrhythmia drug |
amiloride | [no description available] | medium | 34 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
amiloride | [no description available] | medium | 34 | 1 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
tetrapentylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
histidine | [no description available] | high | 760 | 3 | 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 |
histidine | [no description available] | high | 760 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
carnosine | [no description available] | high | 64 | 0 | amino acid zwitterion; dipeptide | anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent |
alanine | [no description available] | medium | 29 | 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 |
aspartic acid | [no description available] | high | 42 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
aspartyl-aspartic acid | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
alanylalanine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | Mycoplasma genitalium metabolite |
alpha-aspartylalanine | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
doxepin hydrochloride | [no description available] | medium | 2 | 0 | | |
1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene | [no description available] | medium | 1 | 0 | | |
zidovudine | [no description available] | medium | 5 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
grepafloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; quinolines; quinolone antibiotic | |
nicotine | [no description available] | medium | 284 | 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 | 284 | 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 |
levofloxacin | [no description available] | medium | 6 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
chlorpromazine | [no description available] | medium | 144 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
pindolol | [no description available] | medium | 21 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
tyramine | [no description available] | high | 332 | 3 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
tyramine | [no description available] | high | 332 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
arpromidine | [no description available] | medium | 6 | 0 | | |
citalopram | [no description available] | medium | 11 | 0 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
citalopram | [no description available] | medium | 11 | 1 | 2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound | |
fluoxetine | [no description available] | medium | 19 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
phenylalanine | [no description available] | high | 54 | 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 |
sertraline | [no description available] | medium | 3 | 0 | dichlorobenzene; secondary amino compound; tetralins | antidepressant; serotonin uptake inhibitor |
benzimidazole | [no description available] | medium | 2 | 0 | benzimidazole; polycyclic heteroarene | |
aminoimidazole carboxamide | [no description available] | high | 2 | 0 | aminoimidazole; monocarboxylic acid amide | mouse metabolite |
2-aminobenzimidazole | [no description available] | medium | 1 | 0 | benzimidazoles | marine xenobiotic metabolite |
n-acetylimidazole | [no description available] | medium | 2 | 0 | N-acylimidazole | |
1-(trimethylsilyl)-1h-imidazole | [no description available] | medium | 1 | 0 | imidazoles; N-silyl compound | chromatographic reagent |
dazoxiben | [no description available] | medium | 3 | 0 | | |
3-methylhistamine | [no description available] | medium | 26 | 0 | | |
n-acetylhistamine | [no description available] | high | 12 | 0 | acetamides; imidazoles | human metabolite |
1-(3-aminopropyl)imidazole | [no description available] | medium | 1 | 0 | imidazoles | |
4-[3-(1H-imidazol-5-yl)propyl]piperidine | [no description available] | medium | 1 | 0 | aralkylamine | |
tripelennamine | [no description available] | medium | 156 | 0 | aromatic amine | |
2-(2-aminoethyl)pyridine | [no description available] | medium | 113 | 0 | aminoalkylpyridine; primary amine | histamine agonist; metabolite |
levocetirizine | [no description available] | medium | 21 | 0 | diarylmethane | |
levocetirizine | [no description available] | medium | 21 | 9 | diarylmethane | |
jnj 7777120 | [no description available] | medium | 47 | 0 | | |
jnj 10191584 | [no description available] | medium | 6 | 0 | benzimidazoles | |
octoclothepine | [no description available] | medium | 1 | 0 | dibenzothiepine | |
amoxapine | [no description available] | medium | 4 | 0 | dibenzooxazepine | adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor |
ebastine | [no description available] | medium | 22 | 0 | organic molecular entity | |
ebastine | [no description available] | medium | 22 | 11 | organic molecular entity | |
fexofenadine | [no description available] | medium | 46 | 0 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
fexofenadine | [no description available] | medium | 46 | 18 | piperidines; tertiary amine | anti-allergic agent; H1-receptor antagonist |
hydroxyzine | [no description available] | medium | 77 | 0 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
hydroxyzine | [no description available] | medium | 77 | 33 | hydroxyether; monochlorobenzenes; N-alkylpiperazine | anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist |
loratadine | [no description available] | medium | 95 | 0 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
loratadine | [no description available] | medium | 95 | 45 | benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide | anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist |
loxapine | [no description available] | medium | 3 | 0 | dibenzooxazepine | antipsychotic agent; dopaminergic antagonist |
azatadine | [no description available] | medium | 7 | 0 | benzocycloheptapyridine; tertiary amine | anti-allergic agent; H1-receptor antagonist |
azatadine | [no description available] | medium | 7 | 3 | benzocycloheptapyridine; tertiary amine | anti-allergic agent; H1-receptor antagonist |
mizolastine | [no description available] | medium | 11 | 0 | benzimidazoles | |
mizolastine | [no description available] | medium | 11 | 6 | benzimidazoles | |
amthamine | [no description available] | medium | 18 | 0 | thiazoles | |
aminopotentidine | [no description available] | medium | 5 | 0 | aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline | H2-receptor antagonist |
triptorelin | [no description available] | medium | 6 | 0 | organoiodine compound | |
famotidine | [no description available] | medium | 3 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
4-(1H-imidazol-5-ylmethyl)pyridine | [no description available] | medium | 2 | 0 | pyridines | |
methimepip | [no description available] | medium | 3 | 0 | | |
histidine methyl ester | [no description available] | medium | 3 | 0 | histidine derivative | |
levodopa | [no description available] | high | 36 | 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 |
tryptophan | [no description available] | high | 99 | 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 |
aminoethylpiperazine | [no description available] | medium | 17 | 0 | | |
D-tryptophan | [no description available] | medium | 17 | 0 | D-alpha-amino acid; tryptophan zwitterion; tryptophan | bacterial metabolite |
2-(aminomethyl)pyridine | [no description available] | medium | 16 | 0 | pyridines | |
copper histidine | [no description available] | medium | 17 | 0 | D-alpha-amino acid; histidine; polar amino acid zwitterion | Saccharomyces cerevisiae metabolite |
phenylalanine | [no description available] | medium | 17 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; phenylalanine | |
D-dopa | [no description available] | medium | 16 | 0 | amino acid zwitterion; D-tyrosine derivative; dopa | |
4-2-Aminoethyl-morpholine | [no description available] | medium | 16 | 0 | morpholines | |
tyrosine | [no description available] | medium | 97 | 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 |
4-aminophenylalanine | [no description available] | medium | 16 | 0 | 4-aminophenylalanine; amino acid zwitterion | |
epitrate | [no description available] | medium | 11 | 0 | 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | |
n-methylquipazine | [no description available] | medium | 1 | 0 | aminoquinoline; N-alkylpiperazine; N-arylpiperazine | serotonergic agonist |
6,7-dichloro 3-(4-methylpiperazin-1-yl)quinoxalin-2(1h)-one | [no description available] | medium | 3 | 0 | | |
vuf10166 | [no description available] | medium | 1 | 0 | | |
normetanephrine | [no description available] | medium | 18 | 0 | catecholamine | |
phenytoin | [no description available] | medium | 14 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
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 |
acetaminophen | [no description available] | medium | 17 | 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 |
acetaminophen | [no description available] | medium | 17 | 2 | 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 |
theophylline | [no description available] | medium | 324 | 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 |
theophylline | [no description available] | medium | 324 | 16 | 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 |
amitriptyline | [no description available] | medium | 29 | 0 | carbotricyclic compound; tertiary amine | adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic |
amsacrine | [no description available] | medium | 1 | 0 | acridines; aromatic ether; sulfonamide | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
antipyrine | [no description available] | medium | 17 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
arcaine | [no description available] | medium | 1 | 0 | guanidines | |
aspirin | [no description available] | medium | 296 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
aspirin | [no description available] | medium | 296 | 18 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
atenolol | [no description available] | medium | 12 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
azathioprine | [no description available] | high | 10 | 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 | 10 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
baclofen | [no description available] | medium | 15 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound | central nervous system depressant; GABA agonist; muscle relaxant |
buspirone | [no description available] | medium | 6 | 0 | azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
caffeine | [no description available] | high | 175 | 4 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
caffeine | [no description available] | high | 175 | 0 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
candesartan | [no description available] | medium | 3 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
carbamazepine | [no description available] | medium | 8 | 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 |
carisoprodol | [no description available] | medium | 3 | 0 | carbamate ester | muscle relaxant |
celecoxib | [no description available] | medium | 6 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
chloroquine | [no description available] | medium | 88 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chloroquine | [no description available] | medium | 88 | 1 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
chlorzoxazone | [no description available] | medium | 3 | 0 | 1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound | muscle relaxant; sedative |
clomipramine | [no description available] | medium | 7 | 0 | dibenzoazepine | anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor |
clotrimazole | [no description available] | high | 6 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
eflornithine | [no description available] | medium | 3 | 0 | alpha-amino acid; fluoroamino acid | trypanocidal drug |
diazepam | [no description available] | medium | 37 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diazepam | [no description available] | medium | 37 | 3 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diclofenac | [no description available] | medium | 12 | 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 |
valproic acid | [no description available] | medium | 9 | 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 | 9 | 1 | 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 |
doxazosin | [no description available] | medium | 1 | 0 | aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines | alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent |
felodipine | [no description available] | medium | 4 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
felodipine | [no description available] | medium | 4 | 1 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
fenofibrate | [no description available] | medium | 2 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
fentanyl | [no description available] | medium | 28 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fentanyl | [no description available] | medium | 28 | 5 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
fluphenazine | [no description available] | medium | 5 | 0 | N-alkylpiperazine; organofluorine compound; phenothiazines | anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug |
fluorouracil | [no description available] | medium | 11 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
flutamide | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes; monocarboxylic acid amide | androgen antagonist; antineoplastic agent |
furosemide | [no description available] | medium | 26 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
furosemide | [no description available] | medium | 26 | 4 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
gabapentin | [no description available] | medium | 4 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
glipizide | [no description available] | medium | 2 | 0 | aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue |
glyburide | [no description available] | medium | 22 | 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 | 39 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
hydralazine | [no description available] | medium | 14 | 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 |
ibuprofen | [no description available] | medium | 21 | 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 |
ketoconazole | [no description available] | high | 5 | 1 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoconazole | [no description available] | high | 5 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ketoprofen | [no description available] | medium | 7 | 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 |
ketoprofen | [no description available] | medium | 7 | 1 | benzophenones; oxo monocarboxylic acid | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic |
loperamide | [no description available] | medium | 5 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
meclizine | [no description available] | medium | 8 | 0 | diarylmethane | |
metaproterenol | [no description available] | high | 35 | 3 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metaproterenol | [no description available] | high | 35 | 0 | aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound | |
metformin | [no description available] | medium | 6 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metoclopramide | [no description available] | medium | 15 | 0 | benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound | antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic |
metoprolol | [no description available] | medium | 10 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
metoprolol | [no description available] | medium | 10 | 1 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
mianserin | [no description available] | medium | 10 | 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 |
ofloxacin | [no description available] | medium | 7 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
ondansetron | [no description available] | medium | 6 | 0 | carbazoles | |
ondansetron | [no description available] | medium | 6 | 3 | carbazoles | |
orphenadrine | [no description available] | medium | 3 | 0 | ether; tertiary amino compound | antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
oxprenolol | [no description available] | medium | 4 | 0 | aromatic ether | |
oxybutynin | [no description available] | medium | 5 | 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 | 5 | 1 | acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound | antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic |
phenobarbital | [no description available] | medium | 29 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
phenoxybenzamine | [no description available] | medium | 169 | 0 | aromatic amine | |
phenoxybenzamine | [no description available] | medium | 169 | 1 | aromatic amine | |
prazosin | [no description available] | medium | 43 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
prazosin | [no description available] | medium | 43 | 2 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
prochlorperazine | [no description available] | medium | 7 | 0 | N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines | alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic |
prochlorperazine | [no description available] | medium | 7 | 1 | 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 |
promazine | [no description available] | medium | 8 | 0 | phenothiazines; tertiary amine | antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist |
promethazine | [no description available] | medium | 197 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
promethazine | [no description available] | medium | 197 | 5 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
propafenone | [no description available] | medium | 5 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
propofol | [no description available] | medium | 24 | 0 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propofol | [no description available] | medium | 24 | 3 | phenols | anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative |
propranolol | [no description available] | medium | 527 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
propranolol | [no description available] | medium | 527 | 13 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
risperidone | [no description available] | medium | 6 | 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 |
sotalol | [no description available] | medium | 15 | 0 | ethanolamines; secondary alcohol; secondary amino compound; sulfonamide | anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic |
sulfasalazine | [no description available] | medium | 3 | 0 | | |
terazosin | [no description available] | medium | 3 | 0 | furans; piperazines; primary amino compound; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent |
terbutaline | [no description available] | medium | 79 | 0 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terbutaline | [no description available] | medium | 79 | 23 | phenylethanolamines; resorcinols | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent |
terfenadine | [no description available] | medium | 149 | 0 | diarylmethane | |
terfenadine | [no description available] | medium | 149 | 69 | diarylmethane | |
tinidazole | [no description available] | medium | 2 | 0 | imidazoles | antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug |
ultram | [no description available] | medium | 2 | 0 | aromatic ether; tertiary alcohol; tertiary amino compound | |
trihexyphenidyl | [no description available] | medium | 2 | 0 | amine | |
trimethoprim | [no description available] | medium | 5 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
trimipramine | [no description available] | medium | 6 | 0 | dibenzoazepine; tertiary amino compound | antidepressant; environmental contaminant; xenobiotic |
troglitazone | [no description available] | medium | 5 | 0 | chromanes; thiazolidinone | anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent |
thyroxine | [no description available] | high | 53 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
spironolactone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
prednisone | [no description available] | medium | 44 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
prednisone | [no description available] | medium | 44 | 6 | 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 |
pilocarpine | [no description available] | medium | 138 | 0 | pilocarpine | antiglaucoma drug |
pilocarpine | [no description available] | medium | 138 | 1 | pilocarpine | antiglaucoma drug |
chloramphenicol | [no description available] | medium | 16 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
apomorphine | [no description available] | medium | 18 | 0 | aporphine alkaloid | alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug |
cysteamine | [no description available] | high | 44 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
androstenedione | [no description available] | high | 4 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
colchicine | [no description available] | medium | 43 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
ampicillin | [no description available] | medium | 10 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
mannitol | [no description available] | medium | 34 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
mannitol | [no description available] | medium | 34 | 1 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
mepenzolate bromide | [no description available] | medium | 3 | 0 | diarylmethane | |
ergotamine | [no description available] | medium | 58 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
ergotamine | [no description available] | medium | 58 | 2 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
neostigmine bromide | [no description available] | medium | 2 | 0 | bromide salt | |
nandrolone | [no description available] | high | 4 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid | human metabolite |
acetylcysteine | [no description available] | high | 11 | 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 |
erythromycin | [no description available] | medium | 12 | 0 | cyclic ketone; erythromycin | |
vinblastine | [no description available] | medium | 3 | 0 | | |
vancomycin | [no description available] | medium | 18 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
vancomycin | [no description available] | medium | 18 | 8 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound | antineoplastic agent; bone density conservation agent |
clemastine | [no description available] | medium | 49 | 0 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
clemastine | [no description available] | medium | 49 | 15 | monochlorobenzenes; N-alkylpyrrolidine | anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist |
cephalexin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
timolol | [no description available] | medium | 11 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
timolol | [no description available] | medium | 11 | 1 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
paclitaxel | [no description available] | high | 15 | 1 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
paclitaxel | [no description available] | high | 15 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
etoposide | [no description available] | medium | 3 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
methyldopa | [no description available] | medium | 39 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
diltiazem | [no description available] | medium | 28 | 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 |
diltiazem | [no description available] | medium | 28 | 1 | 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 |
captopril | [no description available] | medium | 33 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
captopril | [no description available] | medium | 33 | 3 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
bucindolol | [no description available] | medium | 2 | 0 | | |
bucindolol | [no description available] | medium | 2 | 1 | | |
simvastatin | [no description available] | medium | 7 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
pravastatin | [no description available] | medium | 2 | 0 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
esmolol | [no description available] | medium | 4 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
esmolol | [no description available] | medium | 4 | 2 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound | antiviral drug; HIV-1 reverse transcriptase inhibitor |
repaglinide | [no description available] | medium | 1 | 0 | piperidines | |
2-methoxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
methotrexate | [no description available] | medium | 14 | 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 |
atropine | [no description available] | medium | 987 | 0 | | |
atropine | [no description available] | medium | 987 | 14 | | |
melagatran | [no description available] | medium | 1 | 0 | azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor |
glucosamine | [no description available] | high | 15 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
pancuronium | [no description available] | medium | 15 | 0 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
pancuronium | [no description available] | medium | 15 | 4 | acetate ester; steroid ester | cholinergic antagonist; muscle relaxant; nicotinic antagonist |
acarbose | [no description available] | medium | 1 | 0 | amino cyclitol; glycoside | |
clindamycin | [no description available] | medium | 3 | 0 | | |
chlorprothixene | [no description available] | medium | 3 | 0 | chlorprothixene | |
methimazole | [no description available] | medium | 7 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
sulindac | [no description available] | medium | 2 | 0 | monocarboxylic acid; organofluorine compound; sulfoxide | analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent |
digoxin | [no description available] | medium | 13 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
digoxin | [no description available] | medium | 13 | 1 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
tamoxifen | [no description available] | medium | 12 | 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 |
pulmicort | [no description available] | medium | 46 | 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 |
pulmicort | [no description available] | medium | 46 | 23 | 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 |
flupenthixol | [no description available] | medium | 1 | 0 | flupenthixol | dopaminergic antagonist |
codeine | [no description available] | medium | 57 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
codeine | [no description available] | medium | 57 | 16 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic |
cyclosporine | [no description available] | medium | 2 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
cyproterone | [no description available] | medium | 2 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone | androgen antagonist |
morphine | [no description available] | medium | 271 | 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 |
morphine | [no description available] | medium | 271 | 14 | 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 |
denopamine | [no description available] | medium | 2 | 0 | dimethoxybenzene | |
naltrexone | [no description available] | medium | 19 | 0 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
naltrexone | [no description available] | medium | 19 | 2 | cyclopropanes; morphinane-like compound; organic heteropentacyclic compound | antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic |
indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
enalapril | [no description available] | medium | 9 | 0 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
enalapril | [no description available] | medium | 9 | 1 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
scopolamine hydrobromide | [no description available] | medium | 77 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 77 | 2 | | |
taurocholic acid, monosodium salt | [no description available] | medium | 1 | 0 | bile salt | |
tetracycline | [no description available] | medium | 16 | 0 | | |
warfarin | [no description available] | medium | 30 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
warfarin | [no description available] | medium | 30 | 2 | benzenes; hydroxycoumarin; methyl ketone | |
acyclovir | [no description available] | medium | 3 | 0 | 2-aminopurines; oxopurine | antimetabolite; antiviral drug |
folic acid | [no description available] | high | 19 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
rifampin | [no description available] | medium | 6 | 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 |
rifampin | [no description available] | medium | 6 | 1 | 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 |
ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines; oxopurine | antiinfective agent; antiviral drug |
allopurinol | [no description available] | medium | 39 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
sildenafil citrate | [no description available] | medium | 3 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
sildenafil citrate | [no description available] | medium | 3 | 1 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
putrescine | [no description available] | medium | 186 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
spermidine | [no description available] | medium | 100 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
spermidine | [no description available] | medium | 100 | 1 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
spermine | [no description available] | medium | 88 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
cholesterol alpha-oxide | [no description available] | medium | 2 | 0 | 3beta-hydroxy steroid; epoxy steroid; oxysterol | |
tretinoin | [no description available] | high | 21 | 1 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
tretinoin | [no description available] | high | 21 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
docosahexaenoate | [no description available] | medium | 1 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
adenine | [no description available] | high | 53 | 1 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
adenine | [no description available] | high | 53 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
quinacrine | [no description available] | medium | 36 | 0 | acridines; aromatic ether; organochlorine compound; tertiary amino compound | antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
benzyl alcohol | [no description available] | medium | 2 | 0 | benzyl alcohols | antioxidant; fragrance; metabolite; solvent |
betaine | [no description available] | medium | 4 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
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 |
glycine | [no description available] | high | 78 | 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 | 44 | 6 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
glycerol | [no description available] | high | 44 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
alpha-glycerophosphoric acid | [no description available] | medium | 1 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
inositol | [no description available] | medium | 25 | 0 | cyclitol; hexol | |
niacin | [no description available] | high | 50 | 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 |
succinic acid | [no description available] | medium | 8 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
methacholine | [no description available] | medium | 1 | 0 | acetate ester; quaternary ammonium ion | bronchoconstrictor agent; cholinergic agonist; epitope; muscarinic agonist; vasodilator agent |
albendazole | [no description available] | medium | 2 | 0 | aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester | anthelminthic drug; microtubule-destabilising agent; tubulin modulator |
ambroxol | [no description available] | medium | 4 | 0 | aromatic amine | |
ambroxol | [no description available] | medium | 4 | 1 | aromatic amine | |
aminoglutethimide | [no description available] | medium | 4 | 0 | dicarboximide; piperidones; substituted aniline | adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
amiodarone | [no description available] | medium | 5 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
antazoline | [no description available] | medium | 23 | 0 | aromatic amine; imidazolines; tertiary amino compound | cholinergic antagonist; H1-receptor antagonist; xenobiotic |
barbital | [no description available] | medium | 3 | 0 | barbiturates | drug allergen |
bendroflumethiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzamide | [no description available] | medium | 1 | 0 | benzamides | |
benzquinamide | [no description available] | medium | 3 | 0 | monocarboxylic acid amide | antiemetic; antipsychotic agent; H1-receptor antagonist; muscarinic antagonist; sedative |
bepridil | [no description available] | medium | 2 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
bethanidine | [no description available] | medium | 2 | 0 | guanidines | adrenergic antagonist; antihypertensive agent |
betaxolol | [no description available] | medium | 4 | 0 | propanolamine | antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
bisacodyl | [no description available] | medium | 5 | 0 | diarylmethane | |
bromhexine | [no description available] | medium | 2 | 0 | organobromine compound; substituted aniline; tertiary amino compound | mucolytic |
bunitrolol | [no description available] | medium | 1 | 0 | aromatic ether | |
bupranolol | [no description available] | medium | 2 | 0 | aromatic ether | |
butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic; sedative |
metrizoate | [no description available] | medium | 1 | 0 | monocarboxylic acid | radioopaque medium |
carbazochrome | [no description available] | medium | 1 | 0 | | |
carbinoxamine | [no description available] | medium | 2 | 0 | monochlorobenzenes; pyridines; tertiary amino compound | anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist |
carmustine | [no description available] | medium | 2 | 0 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
chlorcyclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
chlorothiazide | [no description available] | medium | 6 | 0 | benzothiadiazine | antihypertensive agent; diuretic |
chloroxine | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound | antibacterial agent; antifungal drug; antiseborrheic |
chlorpropamide | [no description available] | medium | 5 | 0 | monochlorobenzenes; N-sulfonylurea | hypoglycemic agent; insulin secretagogue |
ciprofibrate | [no description available] | medium | 2 | 0 | cyclopropanes; monocarboxylic acid; organochlorine compound | antilipemic drug |
clioquinol | [no description available] | medium | 2 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
clofazimine | [no description available] | medium | 2 | 0 | monochlorobenzenes; phenazines | dye; leprostatic drug; non-steroidal anti-inflammatory drug |
cyclandelate | [no description available] | medium | 2 | 0 | carboxylic ester; secondary alcohol | vasodilator agent |
cyclofenil | [no description available] | medium | 1 | 0 | organic molecular entity | |
debrisoquin | [no description available] | high | 3 | 0 | carboxamidine; isoquinolines | adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent |
amphetamine | [no description available] | medium | 41 | 0 | primary amine | |
dichlorphenamide | [no description available] | medium | 3 | 0 | dichlorobenzene; sulfonamide | antiglaucoma drug; EC 4.2.1.1 (carbonic anhydrase) inhibitor; ophthalmology drug |
diphenidol | [no description available] | medium | 1 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
doxylamine | [no description available] | medium | 4 | 0 | pyridines; tertiary amine | anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative |
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 | 2 | 0 | phenothiazines; tertiary amino compound | adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist |
ethyl loflazepate | [no description available] | medium | 1 | 0 | organic molecular entity | |
etizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines; acetate ester | antiviral drug; prodrug |
fenfluramine | [no description available] | medium | 6 | 0 | (trifluoromethyl)benzenes; secondary amino compound | appetite depressant; serotonergic agonist; serotonin uptake inhibitor |
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 | 31 | 0 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
berotek | [no description available] | medium | 31 | 7 | resorcinols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent |
flavoxate | [no description available] | medium | 2 | 0 | carboxylic ester; flavones; piperidines; tertiary amino compound | antispasmodic drug; muscarinic antagonist; parasympatholytic |
flecainide | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone | prodrug |
flufenamic acid | [no description available] | medium | 14 | 0 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flufenamic acid | [no description available] | medium | 14 | 1 | aromatic amino acid; organofluorine compound | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluphenazine depot | [no description available] | medium | 1 | 0 | decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug |
fluphenazine enanthate | [no description available] | medium | 1 | 0 | phenothiazines | |
flurazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound | anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative |
flutazolam | [no description available] | medium | 1 | 0 | hemiaminal ether; organic molecular entity | |
gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
gliclazide | [no description available] | medium | 3 | 0 | N-sulfonylurea | hypoglycemic agent; insulin secretagogue; radical scavenger |
hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
homochlorocyclizine | [no description available] | medium | 2 | 0 | diarylmethane | |
hydroflumethiazide | [no description available] | medium | 3 | 0 | benzothiadiazine; thiazide | antihypertensive agent; diuretic |
amrinone | [no description available] | medium | 10 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
iodamide | [no description available] | medium | 2 | 0 | benzoic acids; organoiodine compound | radioopaque medium |
iothalamic acid | [no description available] | medium | 15 | 0 | organic molecular entity | |
iothalamic acid | [no description available] | medium | 15 | 1 | organic molecular entity | |
iodipamide | [no description available] | medium | 8 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
isoniazid | [no description available] | medium | 35 | 0 | carbohydrazide | antitubercular agent; drug allergen |
isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
isoxsuprine | [no description available] | medium | 2 | 0 | alkylbenzene | |
ketotifen | [no description available] | medium | 81 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
ketotifen | [no description available] | medium | 81 | 11 | 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 | 7 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
labetalol | [no description available] | medium | 7 | 1 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
leflunomide | [no description available] | medium | 3 | 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 |
lorazepam | [no description available] | medium | 2 | 0 | benzodiazepine | |
maprotiline | [no description available] | medium | 6 | 0 | anthracenes | |
vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
mesoridazine | [no description available] | medium | 2 | 0 | phenothiazines; sulfoxide; tertiary amino compound | dopaminergic antagonist; first generation antipsychotic |
methapyrilene | [no description available] | medium | 11 | 0 | ethylenediamine derivative | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
methocarbamol | [no description available] | medium | 3 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
metronidazole | [no description available] | high | 12 | 1 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
metronidazole | [no description available] | high | 12 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
metyrapone | [no description available] | medium | 13 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
midazolam | [no description available] | medium | 11 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
midazolam | [no description available] | medium | 11 | 4 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
modafinil | [no description available] | medium | 10 | 0 | monocarboxylic acid amide; sulfoxide | |
moxisylyte | [no description available] | medium | 5 | 0 | monoterpenoid | |
moxisylyte | [no description available] | medium | 5 | 1 | monoterpenoid | |
nalidixic acid | [no description available] | medium | 3 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
nefazodone | [no description available] | medium | 3 | 0 | aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles | alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor |
nimetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; GABA modulator; sedative |
nimodipine | [no description available] | medium | 7 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
nitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound | anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative |
nitrendipine | [no description available] | medium | 11 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nitrendipine | [no description available] | medium | 11 | 1 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester | antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent |
nomifensine | [no description available] | medium | 2 | 0 | isoquinolines | dopamine uptake inhibitor |
nortriptyline | [no description available] | medium | 5 | 0 | organic tricyclic compound; secondary amine | adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite |
omeprazole | [no description available] | medium | 135 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
omeprazole | [no description available] | medium | 135 | 1 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
oxamniquine | [no description available] | medium | 2 | 0 | aromatic primary alcohol; C-nitro compound; quinolines; secondary amino 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 |
pargyline | [no description available] | medium | 57 | 0 | aromatic amine | |
pentobarbital | [no description available] | medium | 85 | 0 | barbiturates | GABAA receptor agonist |
pentoxifylline | [no description available] | medium | 8 | 0 | oxopurine | |
perhexiline | [no description available] | medium | 4 | 0 | piperidines | cardiovascular drug |
perphenazine | [no description available] | medium | 8 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines | antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug |
phenacemide | [no description available] | medium | 2 | 0 | acetamides | |
phenacetin | [no description available] | medium | 6 | 0 | acetamides; aromatic ether | cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug |
phenazopyridine | [no description available] | medium | 2 | 0 | diaminopyridine; monoazo compound | anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic |
phenindione | [no description available] | medium | 2 | 0 | aromatic ketone; beta-diketone | anticoagulant |
pheniramine | [no description available] | medium | 35 | 0 | pyridines; tertiary amino compound | |
pheniramine | [no description available] | medium | 35 | 2 | pyridines; tertiary amino compound | |
phenolphthalein | [no description available] | medium | 2 | 0 | phenols | |
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 |
pyranoprofen | [no description available] | medium | 2 | 0 | pyridochromene | |
proglumide | [no description available] | medium | 7 | 0 | benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate | anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite |
propiomazine | [no description available] | medium | 1 | 0 | aromatic ketone; phenothiazines; tertiary amino compound | dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist |
protriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant |
proxyphylline | [no description available] | medium | 2 | 0 | oxopurine | |
rizatriptan | [no description available] | medium | 1 | 0 | tryptamines | anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent |
rofecoxib | [no description available] | medium | 3 | 0 | butenolide; sulfone | analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
salicylsalicylic acid | [no description available] | medium | 3 | 0 | benzoate ester; benzoic acids; phenols; salicylates | antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
secobarbital | [no description available] | medium | 1 | 0 | barbiturates | anaesthesia adjuvant; GABA modulator; sedative |
ipodate | [no description available] | medium | 1 | 0 | | |
succinylcholine | [no description available] | medium | 32 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
succinylcholine | [no description available] | medium | 32 | 4 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
sulfadimethoxine | [no description available] | medium | 4 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
sulfamethoxazole | [no description available] | medium | 4 | 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 |
sulfobromophthalein | [no description available] | medium | 5 | 0 | 2-benzofurans; organobromine compound; organosulfonic acid; phenols | dye |
sumatriptan | [no description available] | medium | 9 | 0 | sulfonamide; tryptamines | serotonergic agonist; vasoconstrictor agent |
suramin | [no description available] | medium | 4 | 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 |
thalidomide | [no description available] | medium | 5 | 0 | phthalimides; piperidones | |
thioridazine | [no description available] | medium | 8 | 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 |
tiaramide | [no description available] | medium | 1 | 0 | benzothiazoles | |
ticlopidine | [no description available] | medium | 2 | 0 | monochlorobenzenes; thienopyridine | anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor |
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 |
tiopronin | [no description available] | medium | 4 | 0 | N-acyl-amino acid | |
tizanidine | [no description available] | medium | 1 | 0 | benzothiadiazole; imidazoles | alpha-adrenergic agonist; muscle relaxant |
tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
trichlormethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; sulfonamide antibiotic | antihypertensive agent; diuretic |
trifluperidol | [no description available] | medium | 3 | 0 | aromatic ketone | |
trimebutine | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
trimethadione | [no description available] | medium | 2 | 0 | oxazolidinone | anticonvulsant; geroprotector |
delavirdine | [no description available] | medium | 1 | 0 | aminopyridine; indolecarboxamide; N-acylpiperazine; sulfonamide | antiviral drug; HIV-1 reverse transcriptase inhibitor |
venlafaxine | [no description available] | medium | 3 | 0 | cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound | adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic |
lysergic acid diethylamide | [no description available] | medium | 71 | 0 | ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound | dopamine agonist; hallucinogen; serotonergic agonist |
phentolamine | [no description available] | high | 291 | 1 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
phentolamine | [no description available] | high | 291 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
sorbitol | [no description available] | high | 19 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
floxuridine | [no description available] | medium | 2 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing 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 | |
norethandrolone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
oxandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid | anabolic agent; androgen |
desoxycorticosterone acetate | [no description available] | medium | 6 | 0 | corticosteroid hormone | |
lysine | [no description available] | high | 62 | 4 | 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 |
lysine | [no description available] | high | 62 | 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 |
ethinyl estradiol | [no description available] | medium | 10 | 0 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
bretylium tosylate | [no description available] | medium | 3 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
leucine | [no description available] | high | 24 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
gallamine triethiodide | [no description available] | medium | 17 | 0 | | |
cytarabine | [no description available] | medium | 6 | 0 | beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside | antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent |
4-hydroxypropiophenone | [no description available] | medium | 2 | 0 | acetophenones | |
methandrostenolone | [no description available] | medium | 1 | 0 | organic molecular entity | |
quinethazone | [no description available] | medium | 1 | 0 | quinazolines | antihypertensive agent; diuretic |
tribromoethanol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
carbromal | [no description available] | medium | 1 | 0 | N-acylurea | |
triparanol | [no description available] | medium | 1 | 0 | stilbenoid | anticoronaviral agent |
pantothenic acid | [no description available] | medium | 9 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
cyclizine | [no description available] | medium | 8 | 0 | N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic |
buclizine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-alkylpiperazine | antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic |
thiopropazate | [no description available] | medium | 1 | 0 | acetate ester; N-alkylpiperazine; organochlorine compound; phenothiazines | dopaminergic antagonist; phenothiazine antipsychotic drug |
acetrizoic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid | |
penicillin v | [no description available] | medium | 5 | 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 |
propylparaben | [no description available] | medium | 4 | 0 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
propylparaben | [no description available] | medium | 4 | 2 | benzoate ester; paraben; phenols | antifungal agent; antimicrobial agent |
methylparaben | [no description available] | medium | 2 | 0 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
methylparaben | [no description available] | medium | 2 | 1 | paraben | antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite |
estradiol dipropionate | [no description available] | medium | 1 | 0 | steroid ester | |
paramethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant |
framycetin | [no description available] | medium | 18 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
anileridine | [no description available] | medium | 1 | 0 | ethyl ester; piperidinecarboxylate ester; substituted aniline | opioid analgesic; opioid receptor agonist |
ditiocarb | [no description available] | medium | 4 | 0 | dithiocarbamic acids | chelator; copper chelator |
sulfalene | [no description available] | medium | 1 | 0 | pyrazines; sulfonamide antibiotic; sulfonamide | |
propantheline bromide | [no description available] | medium | 3 | 0 | xanthenes | |
ephedrine | [no description available] | medium | 58 | 0 | phenethylamine alkaloid; phenylethanolamines | bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
ephedrine | [no description available] | medium | 58 | 7 | 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 | |
norchlorcyclizine | [no description available] | medium | 1 | 0 | | |
evans blue | [no description available] | medium | 59 | 0 | organic sodium salt | fluorochrome; histological dye; sodium channel blocker; teratogenic agent |
opipramol | [no description available] | medium | 3 | 0 | dibenzoazepine | |
carbutamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
glymidine | [no description available] | medium | 1 | 0 | diether; pyrimidines; sulfonamide | hypoglycemic agent |
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine | [no description available] | medium | 1 | 0 | aromatic amine | |
prenylamine | [no description available] | medium | 7 | 0 | diarylmethane | |
thiazolidine-4-carboxylic acid | [no description available] | medium | 1 | 0 | alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; sulfur-containing amino acid; thiazolidinemonocarboxylic acid | antidote; antioxidant; hepatoprotective agent |
chlorphentermine | [no description available] | medium | 4 | 0 | amphetamines | |
dextropropoxyphene | [no description available] | medium | 6 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist; opioid analgesic |
lucanthone | [no description available] | medium | 1 | 0 | thioxanthenes | adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug |
dichloralantipyrine | [no description available] | medium | 1 | 0 | | |
emetine | [no description available] | medium | 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 |
emetine | [no description available] | medium | 2 | 1 | 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 |
dihydralazine | [no description available] | medium | 2 | 0 | phthalazines | |
methallenestril | [no description available] | medium | 1 | 0 | naphthalenes | |
androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid | androgen; human metabolite; mouse metabolite; radiation protective agent |
levocarnitine | [no description available] | medium | 1 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
decamethonium dibromide | [no description available] | medium | 1 | 0 | | |
thiphenamil | [no description available] | medium | 1 | 0 | diarylmethane | |
metahexamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide | |
phenindamine | [no description available] | medium | 8 | 0 | indene | |
2-amino-2-methyl-1-propanol | [no description available] | medium | 1 | 0 | | |
phendimetrazine | [no description available] | medium | 1 | 0 | | |
trimetozine | [no description available] | medium | 2 | 0 | morpholines | |
butaperazine | [no description available] | medium | 1 | 0 | phenothiazines | |
oxolamine | [no description available] | medium | 1 | 0 | oxadiazole; ring assembly | |
ethylestrenol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; tertiary alcohol | anabolic agent |
dehydroepiandrosterone acetate | [no description available] | medium | 1 | 0 | steroid ester | |
metaxalone | [no description available] | medium | 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 |
paraquat | [no description available] | medium | 5 | 0 | organic cation | geroprotector; herbicide |
clothiapine | [no description available] | medium | 1 | 0 | dibenzothiazepine | |
azaribine | [no description available] | medium | 2 | 0 | acetate ester; N-glycosyl-1,2,4-triazine | antipsoriatic; prodrug |
sulfadoxine | [no description available] | medium | 2 | 0 | pyrimidines; sulfonamide | antibacterial drug; antimalarial |
acetophenazine | [no description available] | medium | 1 | 0 | N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; phenothiazines | phenothiazine antipsychotic drug |
cephaloglycin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin | antimicrobial agent |
streptomycin | [no description available] | medium | 25 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
noxiptilin | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
metocurine | [no description available] | medium | 2 | 0 | isoquinolines | |
floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
clomacran | [no description available] | medium | 1 | 0 | acridines | |
iprindole | [no description available] | medium | 3 | 0 | indoles | |
isometheptene | [no description available] | medium | 1 | 0 | secondary amino compound | |
olsalazine | [no description available] | medium | 1 | 0 | azobenzenes; dicarboxylic acid | non-steroidal anti-inflammatory drug; prodrug |
molindone | [no description available] | medium | 1 | 0 | indoles | |
hexocyclium | [no description available] | medium | 1 | 0 | amine | |
ancitabine | [no description available] | medium | 1 | 0 | diol; organic heterotricyclic compound | antimetabolite; antineoplastic agent; prodrug |
clortermine | [no description available] | medium | 1 | 0 | amphetamines | |
nicofuranose | [no description available] | medium | 1 | 0 | organooxygen compound | |
apazone | [no description available] | medium | 1 | 0 | benzotriazines | non-steroidal anti-inflammatory drug; uricosuric drug |
cloforex | [no description available] | medium | 1 | 0 | amphetamines | |
selegiline | [no description available] | medium | 8 | 0 | selegiline; terminal acetylenic compound | geroprotector |
levamisole | [no description available] | medium | 16 | 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 |
clobutinol | [no description available] | medium | 1 | 0 | benzenes; organic amino compound | |
thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfone | antimicrobial agent; immunosuppressive agent |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
razoxane | [no description available] | medium | 2 | 0 | N-alkylpiperazine | |
fludarabine phosphate | [no description available] | medium | 1 | 0 | nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate | antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug |
proquazone | [no description available] | medium | 1 | 0 | pyrimidines | |
halazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
ripazepam | [no description available] | medium | 1 | 0 | benzenes | |
amoxicillin | [no description available] | medium | 8 | 0 | penicillin allergen; penicillin | antibacterial drug |
amoxicillin | [no description available] | medium | 8 | 2 | penicillin allergen; penicillin | antibacterial drug |
indoramin | [no description available] | medium | 2 | 0 | tryptamines | |
moricizine | [no description available] | medium | 1 | 0 | carbamate ester; morpholines; phenothiazines | anti-arrhythmia drug |
feprazone | [no description available] | medium | 1 | 0 | organic molecular entity | |
tobramycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
tobramycin | [no description available] | medium | 2 | 1 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
halofantrine | [no description available] | medium | 1 | 0 | phenanthrenes | |
etidocaine | [no description available] | medium | 1 | 0 | amino acid amide | local anaesthetic |
ribavirin | [no description available] | medium | 2 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
amikacin | [no description available] | medium | 1 | 0 | alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide | antibacterial drug; antimicrobial agent; nephrotoxin |
epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
prenalterol | [no description available] | medium | 5 | 0 | aromatic ether | |
lorcainide | [no description available] | medium | 1 | 0 | acetamides | |
idarubicin | [no description available] | medium | 2 | 0 | anthracycline antibiotic; deoxy hexoside; monosaccharide derivative | |
atracurium | [no description available] | medium | 36 | 0 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
atracurium | [no description available] | medium | 36 | 12 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
pergolide | [no description available] | medium | 1 | 0 | diamine; methyl sulfide; organic heterotetracyclic compound | antiparkinson drug; dopamine agonist |
doxofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-asthmatic drug; antitussive; bronchodilator agent |
alfentanil | [no description available] | medium | 3 | 0 | monocarboxylic acid amide; piperidines | central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug |
alfentanil | [no description available] | medium | 3 | 1 | 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 | 1 | 0 | | |
quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
tiagabine | [no description available] | medium | 1 | 0 | beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes | anticonvulsant; GABA reuptake inhibitor |
lamivudine | [no description available] | medium | 1 | 0 | monothioacetal; nucleoside analogue; oxacycle; primary alcohol | allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug |
ziprasidone | [no description available] | medium | 3 | 0 | 1,2-benzisothiazole; indolones; organochlorine compound; piperazines | antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist |
adenosine | [no description available] | high | 332 | 3 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
adenosine | [no description available] | high | 332 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
ceftezole | [no description available] | medium | 1 | 0 | cephalosporin; thiadiazoles | |
hexestrol bis(diethylaminoethyl ether) | [no description available] | medium | 1 | 0 | stilbenoid | |
disobutamide | [no description available] | medium | 1 | 0 | acetamides | |
dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector; metabolite; teratogenic agent |
clociguanil | [no description available] | medium | 2 | 0 | | |
lividomycin | [no description available] | medium | 1 | 0 | lividomycins | metabolite |
gentamicin c1 | [no description available] | medium | 1 | 0 | | |
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide | [no description available] | medium | 1 | 0 | | |
clarithromycin | [no description available] | medium | 5 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
moexipril | [no description available] | medium | 1 | 0 | peptide | |
sennoside B | [no description available] | medium | 1 | 0 | oxo dicarboxylic acid; sennosides | |
dimethacrine | [no description available] | medium | 1 | 0 | acridines | |
perindopril | [no description available] | medium | 1 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
5-hydroxydopamine | [no description available] | medium | 1 | 0 | catecholamine | |
tazobactam | [no description available] | medium | 1 | 0 | penicillanic acids; triazoles | antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
xylose | [no description available] | medium | 8 | 0 | D-xylose | |
clofibride | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
aminopterin | [no description available] | medium | 2 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
l 694,458 | [no description available] | medium | 2 | 0 | | |
carbocysteine | [no description available] | medium | 2 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
dromostanolone propionate | [no description available] | medium | 1 | 0 | 3-oxo-5alpha-steroid; steroid ester | antineoplastic agent |
phenethicillin | [no description available] | medium | 3 | 0 | penicillin allergen; penicillin | |
bekanamycin | [no description available] | medium | 1 | 0 | kanamycins | |
strychnine | [no description available] | medium | 20 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
griseofulvin | [no description available] | medium | 3 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
netilmicin | [no description available] | medium | 1 | 0 | | |
hetacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
medigoxin | [no description available] | medium | 1 | 0 | cardenolide glycoside | |
betamethasone acetate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone | |
retinol | [no description available] | high | 15 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
zithromax | [no description available] | medium | 3 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
melphalan | [no description available] | medium | 8 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
dibekacin | [no description available] | medium | 1 | 0 | kanamycins | antibacterial agent; protein synthesis inhibitor |
riboflavin | [no description available] | high | 8 | 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 |
flavin mononucleotide | [no description available] | medium | 1 | 0 | flavin mononucleotide; vitamin B2 | bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite |
mezlocillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
mitobronitol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
prednisolone hemisuccinate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
octotropine methylbromide | [no description available] | medium | 2 | 0 | | |
nsc 4347 | [no description available] | medium | 2 | 0 | | |
etomidate | [no description available] | high | 7 | 2 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
etomidate | [no description available] | high | 7 | 0 | ethyl ester; imidazoles | intravenous anaesthetic; sedative |
mercaptopurine | [no description available] | medium | 5 | 0 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
mercaptopurine | [no description available] | medium | 5 | 1 | aryl thiol; purines; thiocarbonyl compound | anticoronaviral agent; antimetabolite; antineoplastic agent |
lobeline | [no description available] | medium | 1 | 0 | | |
thiothixene | [no description available] | medium | 3 | 0 | N-methylpiperazine | anticoronaviral agent |
benztropine | [no description available] | medium | 4 | 0 | diarylmethane | |
thiouracil | [no description available] | medium | 7 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
terbinafine | [no description available] | medium | 2 | 0 | acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor |
1,4-benzoquinone guanylhydrazone thiosemicarbazone | [no description available] | medium | 1 | 0 | | |
zeranol | [no description available] | medium | 2 | 0 | macrolide | |
thiopental | [no description available] | medium | 38 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
thiopental | [no description available] | medium | 38 | 1 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
toremifene | [no description available] | medium | 1 | 0 | aromatic ether; organochlorine compound; tertiary amine | antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
albutoin | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
iodothiouracil | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
tolcapone | [no description available] | medium | 2 | 0 | 2-nitrophenols; benzophenones; catechols | antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
bilirubin | [no description available] | high | 8 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
dinoprost | [no description available] | high | 215 | 5 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
dinoprost | [no description available] | high | 215 | 0 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
calcitriol | [no description available] | high | 6 | 0 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
beta carotene | [no description available] | high | 3 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug; anxiolytic drug; bacterial metabolite; EC 3.5.2.6 (beta-lactamase) inhibitor |
eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
ethchlorvynol | [no description available] | medium | 3 | 0 | | |
rokitamycin | [no description available] | medium | 1 | 0 | organic molecular entity | |
etretinate | [no description available] | medium | 3 | 0 | enoate ester; ethyl ester; retinoid | keratolytic drug |
misoprostol | [no description available] | medium | 15 | 0 | | |
misoprostol | [no description available] | medium | 15 | 4 | | |
epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse metabolite |
natamycin | [no description available] | medium | 1 | 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 |
cloprednol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
estropipate | [no description available] | medium | 1 | 0 | piperazinium salt; steroid sulfate | |
hydroxystilbamidine | [no description available] | medium | 1 | 0 | | |
levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
meprednisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
oxymorphone | [no description available] | medium | 5 | 0 | morphinane alkaloid | |
oxymorphone | [no description available] | medium | 5 | 1 | morphinane alkaloid | |
acepreval | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
proscillaridin | [no description available] | medium | 1 | 0 | organic molecular entity | |
fluvoxamine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant; anxiolytic drug; serotonin uptake inhibitor |
stilbamidine | [no description available] | medium | 3 | 0 | | |
butorphanol | [no description available] | medium | 4 | 0 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
butorphanol | [no description available] | medium | 4 | 1 | morphinane alkaloid | antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
cefixime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug; drug allergen |
zimeldine | [no description available] | medium | 2 | 0 | styrenes | |
ceftriaxone | [no description available] | medium | 1 | 0 | 1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor |
ceftazidime | [no description available] | medium | 1 | 0 | cephalosporin; oxime O-ether | antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
trandolapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
nitrofurantoin | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
fosinopril | [no description available] | medium | 1 | 0 | | |
abt-770 | [no description available] | medium | 1 | 0 | | |
9-n-(1-propyl)erythromyclamine | [no description available] | medium | 1 | 0 | | |
azacosterol | [no description available] | medium | 1 | 0 | | |
homatropine methylbromide | [no description available] | medium | 1 | 0 | | |
vindesine | [no description available] | medium | 1 | 0 | | |
amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
novobiocin | [no description available] | medium | 1 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
chlortetracycline | [no description available] | medium | 8 | 0 | | |
bephenium hydroxynaphthoate | [no description available] | medium | 1 | 0 | | |
phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
viomycin | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide; peptide antibiotic | antitubercular agent |
dacarbazine | [no description available] | medium | 3 | 0 | dacarbazine | |
dacarbazine | [no description available] | medium | 3 | 1 | dacarbazine | |
olanzapine | [no description available] | medium | 10 | 0 | benzodiazepine; N-arylpiperazine; N-methylpiperazine | antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor |
D-tyrosine | [no description available] | medium | 6 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine | Escherichia coli metabolite |
ethylisopropylamiloride | [no description available] | medium | 3 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
astemizole | [no description available] | medium | 34 | 0 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
astemizole | [no description available] | medium | 34 | 9 | benzimidazoles; piperidines | anti-allergic agent; anticoronaviral agent; H1-receptor antagonist |
bufexamac | [no description available] | medium | 2 | 0 | aromatic ether; hydroxamic acid | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
hycanthone | [no description available] | medium | 3 | 0 | thioxanthenes | mutagen; schistosomicide drug |
mefloquine hydrochloride | [no description available] | medium | 1 | 0 | organofluorine compound; piperidines; quinolines; secondary alcohol | |
nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound | anti-ulcer drug; cholinergic drug; H2-receptor antagonist |
periciazine | [no description available] | medium | 2 | 0 | hydroxypiperidine; nitrile; phenothiazines | adrenergic antagonist; first generation antipsychotic; sedative |
sulfamerazine | [no description available] | medium | 3 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen |
vincristine | [no description available] | medium | 1 | 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 |
quinacrine monohydrochloride | [no description available] | medium | 1 | 0 | | |
apomorphine hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | | |
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide | [no description available] | medium | 1 | 0 | | |
antimycin a | [no description available] | medium | 1 | 0 | benzamides; formamides; macrodiolide; phenols | antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide |
clobetasol propionate | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid | anti-inflammatory drug |
ranitidine hydrochloride | [no description available] | medium | 1 | 0 | | |
chloroquine diphosphate | [no description available] | medium | 2 | 0 | | |
telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
5-(n-methyl-n-isobutyl)amiloride | [no description available] | medium | 1 | 0 | | |
amperozide | [no description available] | medium | 1 | 0 | diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
amperozide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist |
atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
cinchonine | [no description available] | medium | 1 | 0 | (8xi)-cinchonan-9-ol; cinchona alkaloid | metabolite |
sk&f 95282 | [no description available] | medium | 20 | 0 | piperidines | |
3',4'-dichlorobenzamil | [no description available] | medium | 3 | 0 | guanidines; pyrazines | |
ici 162846 | [no description available] | medium | 2 | 0 | fatty amide | |
cloperastine hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
mometasone furoate | [no description available] | medium | 11 | 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 |
mometasone furoate | [no description available] | medium | 11 | 1 | 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 |
quinidine sulfate | [no description available] | medium | 1 | 0 | | |
artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid | antimalarial; antineoplastic agent; ferroptosis inducer |
artenimol | [no description available] | medium | 1 | 0 | | |
quinine sulfate | [no description available] | medium | 1 | 0 | hydrate | |
vuf 8430 | [no description available] | medium | 9 | 0 | | |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 3 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
carnitine | [no description available] | high | 11 | 2 | amino-acid betaine | human metabolite; mouse metabolite |
carnitine | [no description available] | high | 11 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
coumarin | [no description available] | medium | 6 | 0 | coumarins | fluorescent dye; human metabolite; plant metabolite |
bupropion | [no description available] | medium | 2 | 0 | aromatic ketone; monochlorobenzenes; secondary amino compound | antidepressant; environmental contaminant; xenobiotic |
guaiacol | [no description available] | medium | 3 | 0 | guaiacols | disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite |
acetanilide | [no description available] | medium | 1 | 0 | acetamides; anilide | analgesic |
pyridoxine | [no description available] | high | 20 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
enprofylline | [no description available] | medium | 8 | 0 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
enprofylline | [no description available] | medium | 8 | 2 | oxopurine | anti-arrhythmia drug; anti-asthmatic drug; bronchodilator agent; non-steroidal anti-inflammatory drug |
oxyquinoline | [no description available] | medium | 4 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
oxyquinoline | [no description available] | medium | 4 | 1 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
tacrine | [no description available] | medium | 8 | 0 | acridines; aromatic amine | EC 3.1.1.7 (acetylcholinesterase) inhibitor |
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 | |
albuterol | [no description available] | medium | 215 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
albuterol | [no description available] | medium | 215 | 53 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
amlodipine | [no description available] | medium | 2 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
amodiaquine | [no description available] | medium | 22 | 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 |
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 | 14 | 0 | enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine | metabolite; muscarinic agonist |
benserazide | [no description available] | medium | 4 | 0 | carbohydrazide; catechols; primary alcohol; primary amino compound | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
benzocaine | [no description available] | medium | 5 | 0 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
benzocaine | [no description available] | medium | 5 | 1 | benzoate ester; substituted aniline | allergen; antipruritic drug; sensitiser; topical anaesthetic |
benzothiazide | [no description available] | medium | 4 | 0 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
benzothiazide | [no description available] | medium | 4 | 1 | benzothiadiazine; sulfonamide | antihypertensive agent; diuretic |
bethanechol | [no description available] | medium | 62 | 0 | carbamate ester; quaternary ammonium ion | muscarinic agonist |
bretylium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
seratrodast | [no description available] | medium | 10 | 0 | organic molecular entity | |
seratrodast | [no description available] | medium | 10 | 1 | organic molecular entity | |
bumetanide | [no description available] | medium | 19 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
bumetanide | [no description available] | medium | 19 | 2 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
busulfan | [no description available] | medium | 5 | 0 | methanesulfonate ester | alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent |
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 | | |
carteolol | [no description available] | medium | 1 | 0 | quinolone; secondary alcohol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes; phenols | antiseptic drug; disinfectant; molluscicide |
aricine | [no description available] | medium | 1 | 0 | cinchona alkaloid | |
ciprofloxacin | [no description available] | medium | 6 | 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 |
ciprofloxacin | [no description available] | medium | 6 | 1 | 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 |
clomiphene | [no description available] | medium | 1 | 0 | tertiary amine | estrogen antagonist; estrogen receptor modulator |
cloxyquin | [no description available] | medium | 1 | 0 | organochlorine compound; quinolines | |
cromolyn | [no description available] | medium | 1 | 0 | chromones; dicarboxylic acid | anti-asthmatic drug; calcium channel blocker |
cyclobenzaprine | [no description available] | medium | 2 | 0 | carbotricyclic compound | antidepressant; muscle relaxant; tranquilizing drug |
dapsone | [no description available] | medium | 3 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
diazoxide | [no description available] | medium | 12 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes; mancude organic heterotricyclic parent | keratolytic drug |
dibucaine | [no description available] | medium | 13 | 0 | aromatic ether; monocarboxylic acid amide; tertiary amino compound | topical anaesthetic |
dicyclomine | [no description available] | medium | 3 | 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 | 2 | 0 | piperidines; tertiary amine | cholinergic antagonist; H1-receptor antagonist |
disulfiram | [no description available] | medium | 9 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
donepezil | [no description available] | medium | 6 | 0 | aromatic ether; indanones; piperidines; racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent |
droperidol | [no description available] | medium | 12 | 0 | aromatic ketone; benzimidazoles; organofluorine compound | anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic |
dyclonine | [no description available] | medium | 3 | 0 | aromatic ketone; piperidines | topical anaesthetic |
dyclonine | [no description available] | medium | 3 | 1 | aromatic ketone; piperidines | topical anaesthetic |
ebselen | [no description available] | medium | 7 | 0 | benzoselenazole | anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger |
econazole | [no description available] | high | 3 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
ethosuximide | [no description available] | medium | 3 | 0 | dicarboximide; pyrrolidinone | anticonvulsant; geroprotector; T-type calcium channel blocker |
ethotoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
felbamate | [no description available] | medium | 2 | 0 | carbamate ester | anticonvulsant; neuroprotective agent |
fenoldopam | [no description available] | medium | 4 | 0 | benzazepine | alpha-adrenergic agonist; antihypertensive agent; dopamine agonist; dopaminergic antagonist; vasodilator agent |
flumazenil | [no description available] | medium | 6 | 0 | ethyl ester; imidazobenzodiazepine; organofluorine compound | antidote to benzodiazepine poisoning; GABA antagonist |
flurbiprofen | [no description available] | medium | 19 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
flurbiprofen | [no description available] | medium | 19 | 8 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
glafenine | [no description available] | medium | 1 | 0 | aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound | inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
glimepiride | [no description available] | medium | 1 | 0 | sulfonamide | |
guaifenesin | [no description available] | medium | 92 | 0 | methoxybenzenes | |
guaifenesin | [no description available] | medium | 92 | 4 | methoxybenzenes | |
hexoprenaline | [no description available] | medium | 4 | 0 | | |
hexamethylene bisacetamide | [no description available] | medium | 2 | 0 | acetamides | |
phenelzine | [no description available] | medium | 7 | 0 | primary amine | |
indapamide | [no description available] | medium | 2 | 0 | indoles; organochlorine compound; sulfonamide | antihypertensive agent; diuretic |
indomethacin | [no description available] | medium | 595 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
indomethacin | [no description available] | medium | 595 | 12 | 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 |
iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organoiodine compound | antiamoebic agent; antibacterial agent; antiprotozoal drug; antiseptic drug |
iproniazid | [no description available] | medium | 43 | 0 | carbohydrazide; pyridines | |
isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
letrozole | [no description available] | medium | 1 | 0 | nitrile; triazoles | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
losartan | [no description available] | high | 4 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
ly 171883 | [no description available] | medium | 6 | 0 | acetophenones; aromatic ether; phenols; tetrazoles | anti-asthmatic drug; leukotriene antagonist |
meclofenamic acid | [no description available] | medium | 19 | 0 | aminobenzoic acid; organochlorine compound; secondary amino compound | analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
mephenesin | [no description available] | medium | 2 | 0 | aromatic ether; glycerol ether | |
mephenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant |
benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 1 | 0 | benzoate ester | |
mesalamine | [no description available] | medium | 4 | 0 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
mesalamine | [no description available] | medium | 4 | 1 | amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols | non-steroidal anti-inflammatory drug |
miconazole | [no description available] | high | 3 | 0 | dichlorobenzene; ether; imidazoles | |
minoxidil | [no description available] | medium | 6 | 0 | dialkylarylamine; tertiary amino compound | |
mitotane | [no description available] | medium | 1 | 0 | diarylmethane | |
nadolol | [no description available] | medium | 1 | 0 | tetralins | |
nafronyl | [no description available] | medium | 2 | 0 | naphthalenes | |
naftopidil | [no description available] | medium | 1 | 0 | piperazines | |
naphazoline | [no description available] | medium | 9 | 0 | naphthalenes | |
neostigmine | [no description available] | medium | 68 | 0 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
nevirapine | [no description available] | medium | 3 | 0 | cyclopropanes; dipyridodiazepine | antiviral drug; HIV-1 reverse transcriptase inhibitor |
nicardipine | [no description available] | medium | 13 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
nifedipine | [no description available] | high | 111 | 9 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
nifedipine | [no description available] | high | 111 | 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 | |
nitromide | [no description available] | medium | 1 | 0 | | |
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
nylidrin | [no description available] | medium | 2 | 0 | alkylbenzene | |
oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
oxibendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
benoxinate | [no description available] | medium | 3 | 0 | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic |
benoxinate | [no description available] | medium | 3 | 1 | amino acid ester; benzoate ester; substituted aniline; tertiary amino compound | drug allergen; local anaesthetic; topical anaesthetic |
pentamidine | [no description available] | medium | 4 | 0 | aromatic ether; carboxamidine; diether | anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic |
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 | |
pinacidil | [no description available] | medium | 15 | 0 | pyridines | |
pioglitazone | [no description available] | medium | 1 | 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 |
piracetam | [no description available] | medium | 5 | 0 | organonitrogen compound; organooxygen compound | |
pirenzepine | [no description available] | medium | 41 | 0 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
pirenzepine | [no description available] | medium | 41 | 1 | pyridobenzodiazepine | anti-ulcer drug; antispasmodic drug; muscarinic antagonist |
piretanide | [no description available] | medium | 2 | 0 | aromatic ether | |
practolol | [no description available] | medium | 21 | 0 | acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound | anti-arrhythmia drug; beta-adrenergic antagonist |
duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
praziquantel | [no description available] | medium | 5 | 0 | isoquinolines | |
primaquine | [no description available] | medium | 3 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
proadifen | [no description available] | medium | 4 | 0 | diarylmethane | |
probucol | [no description available] | medium | 2 | 0 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
procaine | [no description available] | medium | 103 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
procaine | [no description available] | medium | 103 | 3 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
pyrimethamine | [no description available] | medium | 41 | 0 | aminopyrimidine; monochlorobenzenes | antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
riluzole | [no description available] | medium | 2 | 0 | benzothiazoles | |
roxarsone | [no description available] | medium | 1 | 0 | 2-nitrophenols; organoarsonic acid | agrochemical; animal growth promotant; antibacterial drug; coccidiostat |
salicylamide | [no description available] | medium | 2 | 0 | phenols; salicylamides | antirheumatic drug; non-narcotic analgesic |
sulfadiazine | [no description available] | medium | 3 | 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 |
sulfadiazine | [no description available] | medium | 3 | 1 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
spiperone | [no description available] | medium | 5 | 0 | aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound | alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist |
imatinib | [no description available] | medium | 1 | 0 | aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines | antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
succinylsulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles | |
sulfacetamide | [no description available] | medium | 3 | 0 | N-sulfonylcarboxamide; substituted aniline | antibacterial drug; antiinfective agent; antimicrobial agent; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
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 | 2 | 0 | sulfonamide antibiotic; sulfonamide; thiadiazoles | antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
sulfisoxazole | [no description available] | medium | 2 | 0 | isoxazoles; sulfonamide antibiotic; sulfonamide | antibacterial drug; drug allergen |
sulpiride | [no description available] | medium | 13 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
telenzepine | [no description available] | medium | 3 | 0 | benzodiazepine | |
tetracaine | [no description available] | medium | 23 | 0 | benzoate ester; tertiary amino compound | local anaesthetic |
tetrahydroxy-1,4-quinone | [no description available] | medium | 1 | 0 | hydroxybenzoquinone | keratolytic drug |
thiabendazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles; benzimidazole fungicide; benzimidazoles | antifungal agrochemical; antinematodal drug |
2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic; non-narcotic analgesic |
thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
tolazamide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent; potassium channel blocker |
tolazoline | [no description available] | high | 38 | 0 | imidazoles | alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent |
tolbutamide | [no description available] | high | 6 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
tolnaftate | [no description available] | medium | 2 | 0 | monothiocarbamic ester | antifungal drug |
trapidil | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
trifluoperazine | [no description available] | medium | 18 | 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 |
trifluoperazine | [no description available] | medium | 18 | 1 | 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 | 2 | 0 | organofluorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic |
trimeprazine | [no description available] | medium | 4 | 0 | phenothiazines | |
trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug; photosensitizing agent |
tropicamide | [no description available] | medium | 1 | 0 | acetamides | |
tulobuterol | [no description available] | medium | 2 | 0 | organochlorine compound | |
urapidil | [no description available] | medium | 1 | 0 | piperazines | |
urethane | [no description available] | medium | 38 | 0 | carbamate ester | fungal metabolite; mutagen |
xylazine | [no description available] | medium | 7 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
xylometazoline | [no description available] | medium | 8 | 0 | alkylbenzene | |
prednisolone | [no description available] | medium | 105 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
prednisolone | [no description available] | medium | 105 | 13 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
estriol | [no description available] | high | 8 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
piperonyl butoxide | [no description available] | medium | 1 | 0 | benzodioxoles | pesticide synergist |
estrone | [no description available] | high | 21 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
penicillin g | [no description available] | medium | 11 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
penicillin g | [no description available] | medium | 11 | 1 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
metaraminol | [no description available] | medium | 9 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
pentylenetetrazole | [no description available] | medium | 34 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
ethopabate | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
acepromazine | [no description available] | medium | 6 | 0 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
acepromazine | [no description available] | medium | 6 | 1 | aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound | phenothiazine antipsychotic drug |
methoxamine | [no description available] | medium | 39 | 0 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
methoxamine | [no description available] | medium | 39 | 1 | amphetamines | alpha-adrenergic agonist; antihypotensive agent |
cloxacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin; semisynthetic derivative | antibacterial agent; antibacterial drug |
zoxazolamine | [no description available] | medium | 2 | 0 | benzoxazole | |
berlition | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
desoxycorticosterone | [no description available] | high | 33 | 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 | 5 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
norethindrone | [no description available] | medium | 5 | 1 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
cycloserine | [no description available] | medium | 3 | 0 | 4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion | antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist |
trifluridine | [no description available] | medium | 3 | 0 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
trifluridine | [no description available] | medium | 3 | 1 | nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor |
sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound; pyridazines; sulfonamide | antibacterial drug; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
methylprednisolone | [no description available] | medium | 37 | 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 | 37 | 10 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
dimethisoquin | [no description available] | medium | 1 | 0 | isoquinolines | |
synephrine | [no description available] | medium | 8 | 0 | ethanolamines; phenethylamine alkaloid; phenols | alpha-adrenergic agonist; plant metabolite |
pyridostigmine bromide | [no description available] | medium | 3 | 0 | pyridinium salt | |
benzonatate | [no description available] | medium | 1 | 0 | benzoate ester; secondary amino compound; substituted aniline | anaesthetic; antitussive |
phenformin | [no description available] | medium | 4 | 0 | biguanides | antineoplastic agent; geroprotector; hypoglycemic agent |
cinchophen | [no description available] | medium | 9 | 0 | quinolines | |
chloroprocaine | [no description available] | medium | 3 | 0 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
chloroprocaine | [no description available] | medium | 3 | 1 | benzoate ester; monochlorobenzenes | central nervous system depressant; local anaesthetic; peripheral nervous system drug |
yohimbine | [no description available] | medium | 38 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist |
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 | 6 | 0 | diarylmethane | |
4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
megestrol acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester | antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive |
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 | 2 | 0 | 21-hydroxy steroid | |
pimozide | [no description available] | medium | 11 | 0 | benzimidazoles; heteroarylpiperidine; organofluorine compound | antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
flumethasone | [no description available] | medium | 5 | 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 |
dicloxacillin | [no description available] | medium | 1 | 0 | dichlorobenzene; penicillin | antibacterial drug |
tranylcypromine | [no description available] | medium | 32 | 0 | 2-phenylcyclopropan-1-amine | |
beclomethasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug |
(1S,2R)-tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
parbendazole | [no description available] | medium | 1 | 0 | benzimidazoles; carbamate ester | |
danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; terminal acetylenic compound | anti-estrogen; estrogen antagonist; geroprotector |
metergoline | [no description available] | medium | 8 | 0 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
metergoline | [no description available] | medium | 8 | 1 | carbamate ester; ergoline alkaloid | dopamine agonist; geroprotector; serotonergic antagonist |
fenclozic acid | [no description available] | medium | 1 | 0 | | |
capobenic acid | [no description available] | medium | 2 | 0 | benzamides | |
diftalone | [no description available] | medium | 1 | 0 | | |
carbimazole | [no description available] | medium | 3 | 0 | 1,3-dihydroimidazole-2-thiones; carbamate ester | antithyroid drug; prodrug |
ursodeoxycholic acid | [no description available] | high | 3 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
rose bengal b disodium salt | [no description available] | medium | 1 | 0 | | |
carbidopa | [no description available] | medium | 1 | 0 | catechols; hydrazines; monocarboxylic acid | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
dobutamine | [no description available] | medium | 10 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
bezafibrate | [no description available] | medium | 3 | 0 | aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
benoxaprofen | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles; monocarboxylic acid; monochlorobenzenes | antipsoriatic; antipyretic; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; hepatotoxic agent; nephrotoxin; non-narcotic analgesic; non-steroidal anti-inflammatory drug; protein kinase C agonist |
torsemide | [no description available] | medium | 1 | 0 | aminopyridine; N-sulfonylurea; secondary amino compound | antihypertensive agent; loop diuretic |
piperacillin | [no description available] | medium | 1 | 0 | penicillin allergen; penicillin | antibacterial drug |
indalpine | [no description available] | medium | 1 | 0 | indoles | |
lidamidine | [no description available] | medium | 1 | 0 | ureas | |
talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
nedocromil | [no description available] | medium | 23 | 0 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
nedocromil | [no description available] | medium | 23 | 9 | dicarboxylic acid; organic heterotricyclic compound | anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug |
tolrestat | [no description available] | medium | 2 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
remoxipride | [no description available] | medium | 3 | 0 | dimethoxybenzene | |
alpidem | [no description available] | medium | 2 | 0 | imidazoles | |
dopexamine | [no description available] | medium | 2 | 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 | | |
zileuton | [no description available] | medium | 10 | 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 |
zileuton | [no description available] | medium | 10 | 3 | 1-benzothiophenes; ureas | anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug |
remacemide | [no description available] | medium | 1 | 0 | stilbenoid | |
valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
verapamil hydrochloride | [no description available] | medium | 2 | 0 | | |
fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
proxicromil | [no description available] | medium | 2 | 0 | | |
torbafylline | [no description available] | medium | 2 | 0 | | |
enrofloxacin | [no description available] | medium | 2 | 0 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
uk 68798 | [no description available] | medium | 2 | 0 | aromatic ether; sulfonamide; tertiary amino compound | anti-arrhythmia drug; potassium channel blocker |
mepindolol | [no description available] | medium | 1 | 0 | indoles | |
fpl 52791 | [no description available] | medium | 1 | 0 | | |
epanolol | [no description available] | medium | 1 | 0 | acetamides | |
methotrimeprazine | [no description available] | medium | 9 | 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 |
methotrimeprazine | [no description available] | medium | 9 | 2 | 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 |
rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
rosiglitazone | [no description available] | medium | 2 | 1 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
levcromakalim | [no description available] | medium | 2 | 0 | 1-benzopyran | |
hexylcaine hydrochloride | [no description available] | medium | 1 | 0 | | |
imipenem, anhydrous | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; carbapenems; zwitterion | antibacterial drug |
sr141716 | [no description available] | medium | 3 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles | anti-obesity agent; appetite depressant; CB1 receptor antagonist |
bosentan anhydrous | [no description available] | medium | 3 | 0 | primary alcohol; pyrimidines; sulfonamide | antihypertensive agent; endothelin receptor antagonist |
fpl 55712 | [no description available] | medium | 46 | 0 | aromatic ketone | |
fpl 55712 | [no description available] | medium | 46 | 1 | aromatic ketone | |
sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine; pivalate ester | |
fpl-52694 | [no description available] | medium | 9 | 0 | | |
ramatroban | [no description available] | medium | 8 | 0 | organic molecular entity | |
ramatroban | [no description available] | medium | 8 | 1 | organic molecular entity | |
xaliproden | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine | serotonergic agonist |
n-isobutyrylcysteine | [no description available] | medium | 1 | 0 | | |
dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
quilostigmine | [no description available] | medium | 1 | 0 | pyrroloindole | |
imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
aspartame | [no description available] | medium | 2 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
tempol | [no description available] | medium | 1 | 0 | aminoxyls; hydroxypiperidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger |
vatalanib | [no description available] | medium | 1 | 0 | monochlorobenzenes; phthalazines; pyridines; secondary amino compound | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist |
moxifloxacin | [no description available] | medium | 3 | 0 | aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug |
clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
hyoscyamine | [no description available] | medium | 2 | 0 | tropane alkaloid | |
naproxen | [no description available] | medium | 5 | 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 |
lactitol | [no description available] | medium | 2 | 0 | glycosyl alditol | cathartic; excipient; laxative |
fpl 52757 | [no description available] | medium | 1 | 0 | | |
paromomycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic | anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug |
fpl 59257 | [no description available] | medium | 1 | 0 | | |
ropivacaine | [no description available] | medium | 2 | 0 | piperidinecarboxamide; ropivacaine | local anaesthetic |
ropivacaine | [no description available] | medium | 2 | 1 | piperidinecarboxamide; ropivacaine | local anaesthetic |
erlotinib | [no description available] | medium | 1 | 0 | aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound | antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor |
zeneca zd 6169 | [no description available] | medium | 2 | 0 | | |
sibenadet | [no description available] | medium | 2 | 0 | | |
latrepirdine | [no description available] | medium | 3 | 0 | methylpyridines; pyridoindole | geroprotector |
ramelteon | [no description available] | medium | 1 | 0 | indanes | |
lapatinib | [no description available] | medium | 1 | 0 | furans; organochlorine compound; organofluorine compound; quinazolines | antineoplastic agent; tyrosine kinase inhibitor |
sorafenib | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide | angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor |
cortisone | [no description available] | high | 138 | 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 |
ouabain | [no description available] | medium | 119 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
ouabain | [no description available] | medium | 119 | 1 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
salicin | [no description available] | medium | 1 | 0 | aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
digitoxin | [no description available] | medium | 8 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
linezolid | [no description available] | medium | 2 | 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 | |
devazepide | [no description available] | medium | 7 | 0 | 1,4-benzodiazepinone; indolecarboxamide | antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug |
halcinonide | [no description available] | medium | 1 | 0 | organic molecular entity | SMO receptor agonist |
metrizamide | [no description available] | medium | 2 | 0 | amino sugar | |
methylthiouracil | [no description available] | medium | 6 | 0 | pyrimidone | |
crotamiton | [no description available] | medium | 1 | 0 | | |
flunarizine | [no description available] | medium | 6 | 0 | diarylmethane | |
capsaicin | [no description available] | medium | 282 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
capsaicin | [no description available] | medium | 282 | 16 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
ethionamide | [no description available] | medium | 3 | 0 | pyridines; thiocarboxamide | antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug |
scopolamine | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid | |
almokalant | [no description available] | medium | 1 | 0 | | |
vx-745 | [no description available] | medium | 1 | 0 | aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine | anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
deracoxib | [no description available] | medium | 1 | 0 | organofluorine compound; pyrazoles; sulfonamide | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
2-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | |
rs-130830 | [no description available] | medium | 1 | 0 | | |
sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine; trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; environmental contaminant; hypoglycemic agent; serine proteinase inhibitor; xenobiotic |
dinoprostone | [no description available] | high | 452 | 9 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
dinoprostone | [no description available] | high | 452 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
vitamin k semiquinone radical | [no description available] | medium | 14 | 0 | | |
vitamin k semiquinone radical | [no description available] | medium | 14 | 1 | | |
pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
homatropine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
naloxone | [no description available] | medium | 92 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
naloxone | [no description available] | medium | 92 | 2 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
sirolimus | [no description available] | medium | 8 | 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 |
sirolimus | [no description available] | medium | 8 | 1 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
topiramate | [no description available] | medium | 4 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
topiramate | [no description available] | medium | 4 | 1 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
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] | medium | 1 | 0 | monocarboxylic acid amide; pyrroles | angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist |
enalaprilat anhydrous | [no description available] | medium | 3 | 0 | dicarboxylic acid; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
tiotropium | [no description available] | medium | 1 | 0 | | |
guanabenz | [no description available] | medium | 1 | 0 | dichlorobenzene | |
nw 1029 | [no description available] | medium | 1 | 0 | | |
ici d1542 | [no description available] | medium | 1 | 0 | | |
gavestinel | [no description available] | medium | 1 | 0 | | |
1-methyl-d-lysergic acid butanolamide | [no description available] | medium | 1 | 0 | ergot alkaloid; monocarboxylic acid amide | serotonergic antagonist; sympatholytic agent; vasoconstrictor agent |
dantrolene | [no description available] | medium | 1 | 0 | | |
tipredane | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
bentiromide | [no description available] | medium | 1 | 0 | dipeptide | diagnostic agent; indicator; reagent |
gemifloxacin | [no description available] | medium | 1 | 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 | 2 | 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 | 1 | 0 | potassium salt | antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor |
cytomel | [no description available] | medium | 1 | 0 | organic sodium salt | |
a 967079 | [no description available] | medium | 1 | 0 | | |
pht 427 | [no description available] | medium | 1 | 0 | | |
dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist |
sildenafil | [no description available] | medium | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
leucovorin | [no description available] | medium | 1 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
carbadox | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
fenobam | [no description available] | medium | 1 | 0 | ureas | |
gamma-aminobutyric acid | [no description available] | high | 252 | 1 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
gamma-aminobutyric acid | [no description available] | high | 252 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
acetic acid | [no description available] | medium | 43 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
acetic acid | [no description available] | medium | 43 | 1 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
beta-alanine | [no description available] | high | 19 | 0 | amino acid zwitterion; beta-amino acid | agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter |
benzoic acid | [no description available] | medium | 4 | 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 |
benzoic acid | [no description available] | medium | 4 | 1 | 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 |
formic acid | [no description available] | medium | 2 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
salicylic acid | [no description available] | medium | 18 | 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] | medium | 18 | 1 | 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] | medium | 15 | 0 | trihydroxybenzoic acid | antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite |
dihydroxyphenylalanine | [no description available] | high | 62 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
4-aminobenzoic acid | [no description available] | medium | 5 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite; MALDI matrix material |
propionic acid | [no description available] | medium | 2 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
pyridoxamine | [no description available] | high | 2 | 0 | aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6 | Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite |
trimethylamine | [no description available] | medium | 5 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid | Daphnia magna metabolite |
2,4-dichlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid; dichlorobenzene | agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin |
alprenolol | [no description available] | medium | 7 | 0 | secondary alcohol; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
azelastine | [no description available] | medium | 46 | 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 |
azelastine | [no description available] | medium | 46 | 17 | 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 |
bisoprolol | [no description available] | medium | 2 | 0 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
carbidopa | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
carvedilol | [no description available] | medium | 4 | 0 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
celiprolol | [no description available] | medium | 3 | 0 | aromatic ketone | |
cinoxacin | [no description available] | medium | 2 | 0 | cinnolines; oxacycle; oxo carboxylic acid | antibacterial drug; antiinfective agent |
diflunisal | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid; organofluorine compound | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
domperidone | [no description available] | medium | 3 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
ethacrynic acid | [no description available] | medium | 5 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
fendiline | [no description available] | medium | 1 | 0 | diarylmethane | |
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 |
flumequine | [no description available] | medium | 2 | 0 | 3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic | |
fluspirilene | [no description available] | medium | 1 | 0 | diarylmethane | |
mephentermine | [no description available] | medium | 7 | 0 | amphetamines | |
ketorolac | [no description available] | medium | 1 | 0 | amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate | analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
lomefloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antimicrobial agent; antitubercular agent; photosensitizing agent |
mefenamic acid | [no description available] | medium | 15 | 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 |
mefenamic acid | [no description available] | medium | 15 | 1 | 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 |
meperidine | [no description available] | medium | 24 | 0 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
meperidine | [no description available] | medium | 24 | 1 | ethyl ester; piperidinecarboxylate ester; tertiary amino compound | antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic |
methoxyphenamine | [no description available] | medium | 2 | 0 | amphetamines | beta-adrenergic agonist; bronchodilator agent |
3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
mexiletine | [no description available] | medium | 3 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mexiletine | [no description available] | medium | 3 | 1 | aromatic ether; primary amino compound | anti-arrhythmia drug |
mirtazapine | [no description available] | medium | 3 | 0 | benzazepine; tetracyclic antidepressant | alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist |
norfloxacin | [no description available] | medium | 2 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
oxotremorine | [no description available] | medium | 20 | 0 | N-alkylpyrrolidine | |
aminosalicylic acid | [no description available] | medium | 5 | 0 | aminobenzoic acid; phenols | antitubercular agent |
suprofen | [no description available] | medium | 2 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
gatifloxacin | [no description available] | medium | 1 | 0 | N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
tolmetin | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug |
trazodone | [no description available] | medium | 3 | 0 | monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine | adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
dextroamphetamine | [no description available] | medium | 19 | 0 | 1-phenylpropan-2-amine | adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent |
penicillamine | [no description available] | medium | 15 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
isonicotinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite; human metabolite |
physostigmine | [no description available] | medium | 121 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
ethylamine | [no description available] | medium | 4 | 0 | primary aliphatic amine | human metabolite |
tromethamine | [no description available] | medium | 7 | 0 | primary amino compound; triol | buffer |
brompheniramine | [no description available] | medium | 18 | 0 | organobromine compound; pyridines | anti-allergic agent; H1-receptor antagonist |
phenylpiperazine | [no description available] | medium | 1 | 0 | | |
2-naphthoic acid | [no description available] | medium | 1 | 0 | naphthoic acid | mouse metabolite; xenobiotic metabolite |
mecoprop | [no description available] | medium | 2 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | |
deanol | [no description available] | medium | 2 | 0 | ethanolamines; tertiary amine | curing agent; radical scavenger |
4-methylmorpholine | [no description available] | medium | 2 | 0 | | |
n-butylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
piperidine | [no description available] | medium | 4 | 0 | azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine | base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent |
morpholine | [no description available] | medium | 1 | 0 | morpholines; saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
hexahydroazepine | [no description available] | medium | 1 | 0 | azacycloalkane; azepanes; saturated organic heteromonocyclic parent | |
n-methylpyrrolidine | [no description available] | medium | 1 | 0 | | |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
meglumine | [no description available] | medium | 11 | 0 | hexosamine; secondary amino compound | |
aziridine | [no description available] | medium | 1 | 0 | azacycloalkane; aziridines; saturated organic heteromonocyclic parent | alkylating agent |
dibenzepin | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
galantamine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound | antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite |
trifluoroethylamine | [no description available] | medium | 1 | 0 | | |
2-fluoroethylamine | [no description available] | medium | 1 | 0 | | |
arecaidine | [no description available] | medium | 1 | 0 | citraconoyl group | |
azetidine | [no description available] | medium | 1 | 0 | azacycloalkane; azetidines; saturated organic heteromonocyclic parent | |
gluconic acid | [no description available] | medium | 2 | 0 | gluconic acid | chelator; Penicillium metabolite |
methamphetamine | [no description available] | medium | 29 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
aminopenicillanic acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; penicillanic acids | allergen |
glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | tripeptide zwitterion; tripeptide | |
n,n-dimethylethylamine | [no description available] | medium | 1 | 0 | | |
diethylmethylamine | [no description available] | medium | 1 | 0 | | |
glycine ethyl ester | [no description available] | medium | 2 | 0 | | |
n-methylpiperidine | [no description available] | medium | 1 | 0 | | |
benzydamine | [no description available] | medium | 1 | 0 | aromatic ether; indazoles; tertiary amino compound | analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug |
tempidon | [no description available] | medium | 1 | 0 | piperidones | |
clopyralid | [no description available] | medium | 1 | 0 | organochlorine pesticide; pyridines | herbicide |
dimethylaminopropionitrile | [no description available] | medium | 1 | 0 | | |
5-phenylvaleric acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
cyclacillin | [no description available] | medium | 1 | 0 | penicillin | antibacterial drug |
pyrrolidine | [no description available] | medium | 2 | 0 | azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent | |
metipranolol | [no description available] | medium | 1 | 0 | acetate ester; aromatic ether; propanolamine; secondary amino compound | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
propamocarb | [no description available] | medium | 1 | 0 | carbamate ester; carbamate fungicide; tertiary amino compound | antifungal agrochemical; environmental contaminant; xenobiotic |
phenyl-2-aminoethyl sulfide | [no description available] | medium | 1 | 0 | | |
tolamolol | [no description available] | medium | 1 | 0 | | |
sq-11725 | [no description available] | medium | 3 | 0 | | |
sufentanil | [no description available] | medium | 5 | 0 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
sufentanil | [no description available] | medium | 5 | 2 | anilide; ether; piperidines; thiophenes | anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
Flamprop | [no description available] | medium | 1 | 0 | benzamides | |
paroxetine | [no description available] | medium | 3 | 0 | aromatic ether; benzodioxoles; organofluorine compound; piperidines | antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor |
atomoxetine | [no description available] | medium | 1 | 0 | aromatic ether; secondary amino compound; toluenes | adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic |
atorvastatin | [no description available] | medium | 3 | 0 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
atorvastatin | [no description available] | medium | 3 | 1 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
irinotecan | [no description available] | medium | 1 | 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 |
d-lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
trovafloxacin | [no description available] | medium | 1 | 0 | | |
thiamorpholine | [no description available] | medium | 1 | 0 | saturated organic heteromonocyclic parent; thiomorpholines | |
glycyl-glycyl-glycyl-glycine | [no description available] | medium | 1 | 0 | | |
nebivolol | [no description available] | medium | 1 | 0 | chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound | |
carazolol | [no description available] | medium | 1 | 0 | carbazoles | |
oleandomycin | [no description available] | medium | 1 | 0 | oleandomycins | |
phenylalanyl-phenylalanyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
3-(4-methoxybenzoyl)propionic acid | [no description available] | medium | 1 | 0 | | |
dimethylaminopropanol | [no description available] | medium | 1 | 0 | | |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
4-phenylbutylamine | [no description available] | medium | 1 | 0 | benzenes; phenylalkylamine; primary amino compound | |
glycinexylidide | [no description available] | medium | 1 | 0 | amino acid amide | drug metabolite |
Trp-Trp | [no description available] | medium | 1 | 0 | dipeptide | Mycoplasma genitalium metabolite |
kampirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
isopelletierine | [no description available] | medium | 1 | 0 | citraconoyl group | |
fenpropimorph | [no description available] | medium | 1 | 0 | alkylbenzene | |
1-(2-pyridinyl)piperazine | [no description available] | medium | 1 | 0 | | |
l-lactic acid | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid | Escherichia coli metabolite; human metabolite |
ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
deramciclane | [no description available] | medium | 1 | 0 | | |
norpseudoephedrine | [no description available] | medium | 1 | 0 | amphetamines; phenethylamine alkaloid | central nervous system stimulant; plant metabolite; psychotropic drug |
tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug; muscarinic antagonist; muscle relaxant |
vinpocetine | [no description available] | medium | 6 | 0 | alkaloid | geroprotector |
e-z cinnamic acid | [no description available] | medium | 1 | 0 | cinnamic acid | plant metabolite |
cocaine | [no description available] | high | 122 | 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 |
cefamandole | [no description available] | medium | 1 | 0 | cephalosporin; semisynthetic derivative | antibacterial drug |
sorbic acid | [no description available] | medium | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
4-methylumbelliferyl glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside; coumarins; monosaccharide derivative | chromogenic compound |
tylosin | [no description available] | medium | 1 | 0 | aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative | allergen; bacterial metabolite; environmental contaminant; xenobiotic |
alprostadil | [no description available] | high | 94 | 5 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
alprostadil | [no description available] | high | 94 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
isotretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; teratogenic agent |
dihydrocodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
oxycodone | [no description available] | medium | 3 | 0 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
oxycodone | [no description available] | medium | 3 | 2 | organic heteropentacyclic compound; semisynthetic derivative | antitussive; mu-opioid receptor agonist; opioid analgesic |
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; indoles; organofluorine compound | |
codeine phosphate | [no description available] | medium | 1 | 0 | | |
dihydromorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-6-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
heroin | [no description available] | medium | 5 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
heroin | [no description available] | medium | 5 | 1 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
morphine-3-glucuronide | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
1,2-dielaidoylphosphatidylethanolamine | [no description available] | medium | 1 | 0 | | |
rosaramicin | [no description available] | medium | 1 | 0 | aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative | bacterial metabolite |
roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant; xenobiotic |
cefdinir | [no description available] | medium | 1 | 0 | cephalosporin; ketoxime | antibacterial drug |
phenylalanylphenylalanine | [no description available] | medium | 1 | 0 | dipeptide; L-aminoacyl-L-amino acid zwitterion | human blood serum metabolite; Mycoplasma genitalium metabolite |
norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride | [no description available] | medium | 1 | 0 | | |
decanoylcarnitine | [no description available] | medium | 1 | 0 | decanoate ester; O-acylcarnitine | human urinary metabolite |
norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine; organochlorine compound; piperazines | delta-opioid receptor agonist; metabolite; serotonergic antagonist |
pf-3893787 | [no description available] | medium | 1 | 0 | | |
4-fluorobenzylamine | [no description available] | medium | 1 | 0 | | |
sodium perchlorate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
lithium perchlorate | [no description available] | medium | 1 | 0 | | |
9-xylosyladenine | [no description available] | medium | 2 | 0 | purine nucleoside | |
malic acid | [no description available] | medium | 6 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
phosphonoacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; phosphonic acids | antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
naringenin | [no description available] | medium | 1 | 0 | 4'-hydroxyflavanones; trihydroxyflavanone | |
niacinamide | [no description available] | high | 26 | 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 |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent; drug metabolite |
1,10-phenanthroline | [no description available] | medium | 2 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 6 | 0 | oxopurine | adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
2,2'-dipyridyl | [no description available] | medium | 4 | 0 | bipyridine | chelator; ferroptosis inhibitor |
ro 5-4864 | [no description available] | medium | 2 | 0 | | |
4-aminopyridine | [no description available] | medium | 23 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 15 | 0 | long-chain fatty acid | |
5-fluoroindole-2-carboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
etofylline | [no description available] | medium | 1 | 0 | oxopurine | |
7-nitroindazole | [no description available] | medium | 3 | 0 | | |
aa 861 | [no description available] | medium | 8 | 0 | 1,4-benzoquinones; acetylenic compound; primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor |
acetazolamide | [no description available] | medium | 43 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
aniracetam | [no description available] | medium | 1 | 0 | N-acylpyrrolidine; pyrrolidin-2-ones | |
anisindione | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone | anticoagulant; vitamin K antagonist |
azelaic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
azelaic acid | [no description available] | medium | 2 | 1 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite |
bay-k-8644 | [no description available] | medium | 44 | 0 | (trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester | |
benzbromarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone | uricosuric drug |
bay h 4502 | [no description available] | medium | 2 | 0 | biphenyls; imidazoles | |
brimonidine | [no description available] | medium | 1 | 0 | imidazoles; quinoxaline derivative; secondary amine | adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent |
chlorambucil | [no description available] | medium | 3 | 0 | aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
chlorthalidone | [no description available] | medium | 2 | 0 | isoindoles; monochlorobenzenes; sulfonamide | |
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 |
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 1 | 0 | sulfonamide | |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; diarylmethane | |
dipyridamole | [no description available] | medium | 16 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
dipropizine | [no description available] | medium | 2 | 0 | piperazines | |
ellipticine | [no description available] | medium | 1 | 0 | indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene | antineoplastic agent; plant metabolite |
epirizole | [no description available] | medium | 8 | 0 | aromatic ether | |
myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
ethoxzolamide | [no description available] | medium | 2 | 0 | aromatic ether; benzothiazoles; sulfonamide | antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
etodolac | [no description available] | medium | 3 | 0 | monocarboxylic acid; organic heterotricyclic compound | antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
4-biphenylylacetic acid | [no description available] | medium | 1 | 0 | biphenyls; monocarboxylic acid | non-steroidal anti-inflammatory drug |
fenbufen | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid; biphenyls | non-steroidal anti-inflammatory drug |
fluorometholone | [no description available] | medium | 1 | 0 | | |
1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 36 | 0 | isoquinolines; N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
harmaline | [no description available] | medium | 5 | 0 | harmala alkaloid | oneirogen |
hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
hexachlorophene | [no description available] | medium | 3 | 1 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
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 | 2 | 0 | aromatic ether; isoflavones | bone density conservation agent |
itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
khellin | [no description available] | medium | 7 | 0 | furanochromone; organic heterotricyclic compound; oxacycle | anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent |
lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
lansoprazole | [no description available] | medium | 10 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
edaravone | [no description available] | medium | 2 | 0 | pyrazolone | antioxidant; radical scavenger |
meclofenamate sodium anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | |
methazolamide | [no description available] | medium | 1 | 0 | sulfonamide; thiadiazoles | |
moclobemide | [no description available] | medium | 1 | 0 | benzamides; monochlorobenzenes; morpholines | antidepressant; environmental contaminant; xenobiotic |
nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene; methyl ketone | cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug |
nialamide | [no description available] | medium | 20 | 0 | organonitrogen compound; organooxygen compound | |
niflumic acid | [no description available] | medium | 11 | 0 | aromatic carboxylic acid; pyridines | |
nimesulide | [no description available] | medium | 8 | 0 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
nimesulide | [no description available] | medium | 8 | 2 | aromatic ether; C-nitro compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug |
phenylbutazone | [no description available] | medium | 87 | 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 |
pipemidic acid | [no description available] | medium | 1 | 0 | amino acid; monocarboxylic acid; N-arylpiperazine; pyridopyrimidine; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor |
pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
primidone | [no description available] | medium | 1 | 0 | pyrimidone | anticonvulsant; environmental contaminant; xenobiotic |
pf 5901 | [no description available] | medium | 9 | 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 |
rolipram | [no description available] | medium | 39 | 0 | pyrrolidin-2-ones | antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
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 | |
streptonigrin | [no description available] | medium | 1 | 0 | pyridines; quinolone | antimicrobial agent; antineoplastic agent |
sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
sulfamethoxypyridazine | [no description available] | medium | 1 | 0 | pyridazines; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
tegafur | [no description available] | medium | 1 | 0 | organohalogen compound; pyrimidines | |
vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine; pyrrolopyrazine | central nervous system depressant; sedative |
hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester; tertiary alpha-hydroxy ketone | |
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 | |
trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
androsterone | [no description available] | high | 2 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid | androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone |
promazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
azauridine | [no description available] | medium | 1 | 0 | N-glycosyl-1,2,4-triazine | antimetabolite; antineoplastic agent; drug metabolite |
pilocarpine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
dimethylphenylpiperazinium iodide | [no description available] | medium | 36 | 0 | N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
benzyltrimethylammonium chloride | [no description available] | medium | 1 | 0 | | |
promethazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative |
uridine | [no description available] | high | 8 | 0 | uridines | drug metabolite; fundamental metabolite; human metabolite |
tolazoline hydrochloride | [no description available] | medium | 1 | 0 | benzenes | |
acetylcholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
methoxamine hydrochloride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
papaverine hydrochloride | [no description available] | medium | 1 | 0 | | |
methacholine chloride | [no description available] | medium | 433 | 0 | quaternary ammonium salt | |
methacholine chloride | [no description available] | medium | 433 | 60 | quaternary ammonium salt | |
fluocinolone acetonide | [no description available] | medium | 8 | 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 | 8 | 1 | 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 |
norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone | human metabolite; metabolite; mouse metabolite; progestin |
chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; phenothiazines | anticoronaviral agent; phenothiazine antipsychotic drug |
cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
medroxyprogesterone acetate | [no description available] | medium | 2 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester | adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive |
mestranol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound | prodrug; xenoestrogen |
lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; local anaesthetic |
triamcinolone acetonide | [no description available] | medium | 9 | 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 | 9 | 2 | 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 |
dehydrocholic acid | [no description available] | medium | 4 | 0 | 12-oxo steroid; 3-oxo-5beta-steroid; 7-oxo steroid; oxo-5beta-cholanic acid | gastrointestinal drug |
9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
phenothiazine | [no description available] | medium | 22 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
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 | |
imipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
edrophonium chloride | [no description available] | medium | 1 | 0 | chloride salt; quaternary ammonium salt | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
maltol | [no description available] | medium | 1 | 0 | 4-pyranones | metabolite |
methapyrilene hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative |
phenazopyridine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | carcinogenic agent; local anaesthetic; non-narcotic analgesic |
tetrracaine hydrochloride | [no description available] | medium | 1 | 0 | benzoate ester | |
protocatechualdehyde | [no description available] | medium | 1 | 0 | dihydroxybenzaldehyde | |
20-alpha-dihydroprogesterone | [no description available] | medium | 1 | 0 | 20-hydroxypregn-4-en-3-one | human metabolite; mouse metabolite |
2-chloroadenosine | [no description available] | medium | 20 | 0 | purine nucleoside | |
diphenhydramine hydrochloride | [no description available] | medium | 17 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
diphenhydramine hydrochloride | [no description available] | medium | 17 | 2 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
quinestrol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
ethamivan | [no description available] | medium | 1 | 0 | methoxybenzenes; phenols | |
pargyline hydrochloride | [no description available] | medium | 1 | 0 | | |
orphenadrine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic |
fluocinonide | [no description available] | medium | 1 | 0 | organic molecular entity | |
xanthinol niacinate | [no description available] | medium | 2 | 0 | | |
glycyrrhetinic acid | [no description available] | medium | 1 | 0 | cyclic terpene ketone; hydroxy monocarboxylic acid; pentacyclic triterpenoid | immunomodulator; plant metabolite |
podophyllotoxin | [no description available] | medium | 4 | 0 | furonaphthodioxole; lignan; organic heterotetracyclic compound | antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator |
medroxyprogesterone | [no description available] | medium | 5 | 0 | 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone | contraceptive drug; progestin; synthetic oral contraceptive |
tetrahydrozoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
1,2-naphthoquinone | [no description available] | medium | 1 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist; carcinogenic agent |
amitriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
naphazoline hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
4,4'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridine | |
doxylamine succinate | [no description available] | medium | 3 | 0 | organic molecular entity | |
monoacetyldapsone | [no description available] | medium | 1 | 0 | acetamides; anilide; secondary carboxamide; sulfone | |
formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
chlorotrianisene | [no description available] | medium | 1 | 0 | chloroalkene | antineoplastic agent; estrogen receptor modulator; xenoestrogen |
aminacrine | [no description available] | medium | 1 | 0 | | |
isoxsuprine hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
bethanechol chloride | [no description available] | medium | 1 | 0 | carbamate ester; chloride salt; quaternary ammonium salt | muscarinic agonist |
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 |
levonorgestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound | contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive |
malononitrile dimer | [no description available] | medium | 1 | 0 | | |
diphenyl disulfide | [no description available] | medium | 1 | 0 | benzenes | |
cyproheptadine hydrochloride (anhydrous) | [no description available] | medium | 1 | 0 | hydrochloride | |
estradiol valerate | [no description available] | medium | 1 | 0 | steroid ester | |
2,2'-dipyridylamine | [no description available] | medium | 1 | 0 | | |
pregnenolone carbonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile | |
diethylcarbamazine citrate | [no description available] | medium | 1 | 0 | piperazinecarboxamide | |
azacyclonol | [no description available] | medium | 1 | 0 | diarylmethane | |
5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 1 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite; human metabolite |
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 |
hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; hemisuccinate; tertiary alpha-hydroxy ketone | |
antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
stavudine | [no description available] | medium | 1 | 0 | dihydrofuran; nucleoside analogue; organic molecular entity | antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
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 |
cladribine | [no description available] | medium | 2 | 0 | organochlorine compound; purine 2'-deoxyribonucleoside | antineoplastic agent; immunosuppressive agent |
alverine citrate | [no description available] | medium | 1 | 0 | citrate salt; organoammonium salt | antispasmodic drug; cholinergic antagonist |
cyclogyl | [no description available] | medium | 1 | 0 | | |
metoclopramide hydrochloride | [no description available] | medium | 1 | 0 | | |
isoetharine mesylate | [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 |
benserazide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
pentamethylmelamine | [no description available] | medium | 1 | 0 | | |
eedq | [no description available] | medium | 2 | 0 | | |
ornidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; organochlorine compound; secondary alcohol | antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope |
tetridamin | [no description available] | medium | 1 | 0 | | |
thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
frentizole | [no description available] | medium | 1 | 0 | | |
eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
moricizine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
proroxan hydrochloride | [no description available] | medium | 1 | 0 | | |
etomidate | [no description available] | medium | 1 | 0 | imidazoles | |
buspirone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist |
propafenone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
picobenzide | [no description available] | medium | 1 | 0 | | |
flecainide acetate | [no description available] | medium | 1 | 0 | acetate salt | anti-arrhythmia drug |
nicardipine hydrochloride | [no description available] | medium | 1 | 0 | dihydropyridine | geroprotector |
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 |
terazosin hydrochloride anhydrous | [no description available] | medium | 1 | 0 | | |
pergolide mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | antiparkinson drug; dopamine agonist; geroprotector |
cerm-1978 | [no description available] | medium | 1 | 0 | hydrochloride | |
dazoxiben hydrochloride | [no description available] | medium | 1 | 0 | | |
lovastatin | [no description available] | medium | 2 | 0 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
mifepristone | [no description available] | medium | 7 | 0 | 3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound | abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive |
tobramycin sulfate | [no description available] | medium | 1 | 0 | | |
benzylaminopurine | [no description available] | medium | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
fluoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | |
diltiazem hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; calcium channel blocker; vasodilator agent |
trazodone hydrochloride | [no description available] | medium | 17 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
doxazosin mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | geroprotector |
amantadine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antiviral agent; dopamine agonist; NMDA receptor antagonist |
norharman | [no description available] | medium | 1 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
ticlopidine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
dopamine hydrochloride | [no description available] | medium | 1 | 0 | catecholamine | |
sulconazole, mononitrate, (+-)-isomer | [no description available] | medium | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; organic nitrate salt | |
acetylcholine bromide | [no description available] | medium | 1 | 0 | bromide salt; quaternary ammonium salt | |
aloxistatin | [no description available] | medium | 1 | 0 | epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide | anticoronaviral agent; cathepsin B inhibitor |
tryptamide | [no description available] | medium | 1 | 0 | | |
trihexyphenidyl hydrochloride | [no description available] | medium | 1 | 0 | aralkylamine | |
oxyphencyclimine hydrochloride | [no description available] | medium | 1 | 0 | pyrimidines | |
thioridazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | first generation antipsychotic; geroprotector |
diphenylpyraline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | cholinergic antagonist; H1-receptor antagonist |
procainamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug |
siquil | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent |
mepivacaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; piperidinecarboxamide | local anaesthetic |
oxymetazoline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
diphenidol hydrochloride | [no description available] | medium | 1 | 0 | diarylmethane | |
alprenolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
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 | 12 | 0 | phenanthroline | |
1,7-phenanthroline | [no description available] | medium | 12 | 1 | phenanthroline | |
3-fluoro-4-hydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | | |
dyclonine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | topical anaesthetic |
clomipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidepressant; serotonergic antagonist; serotonergic drug |
prazosin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
mianserin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | geroprotector |
miconazole nitrate | [no description available] | medium | 1 | 0 | | |
econazole nitrate | [no description available] | medium | 1 | 0 | | |
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 | |
loxapine succinate | [no description available] | medium | 1 | 0 | succinate salt | geroprotector |
guanfacine hydrochloride | [no description available] | medium | 1 | 0 | acetamides | geroprotector |
labetalol hydrochloride | [no description available] | medium | 1 | 0 | salicylamides | |
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 |
acecainide hydrochloride | [no description available] | medium | 1 | 0 | | |
loperamide hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
maprotiline hydrochloride | [no description available] | medium | 1 | 0 | anthracenes | |
hydroxyzine dihydrochloride | [no description available] | medium | 1 | 0 | | |
betamipron | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
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 | | |
phentolamine mesylate | [no description available] | medium | 1 | 0 | | |
oxybutynin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
2-methylhippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | metabolite |
prilocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | local anaesthetic |
meclizine hydrochloride | [no description available] | medium | 1 | 0 | | |
11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid | |
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 | | |
n(6)-phenyladenosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
mizoribine | [no description available] | medium | 1 | 0 | imidazoles | anticoronaviral agent |
alphaxalone | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
alphaxalone | [no description available] | medium | 2 | 1 | corticosteroid hormone | |
bicuculline methiodide | [no description available] | medium | 2 | 0 | | |
beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 3 | 0 | beta-carbolines | |
tryptoline | [no description available] | medium | 1 | 0 | beta-carbolines | |
gamma-fagarine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
betaxolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antihypertensive agent; beta-adrenergic antagonist |
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 | |
gallopamil hydrochloride | [no description available] | medium | 1 | 0 | | |
histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
1,3-dimethylbenzimidazoline-2-thione | [no description available] | medium | 1 | 0 | | |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
desloratadine | [no description available] | medium | 25 | 0 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
desloratadine | [no description available] | medium | 25 | 9 | benzocycloheptapyridine | anti-allergic agent; cholinergic antagonist; drug metabolite; H1-receptor antagonist |
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer | [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 | | |
idazoxan hydrochloride | [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 | | |
17 alpha-hydroxyprogesterone caproate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
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 | 1 | 0 | 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 | 1 | 0 | | |
epinastine | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
benzatropine methanesulfonate | [no description available] | medium | 1 | 0 | | |
4',6-dihydroxy-5,7-dimethoxyflavone | [no description available] | medium | 1 | 0 | dihydroxyflavone; dimethoxyflavone | |
2-hydroxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 2-hydroxy steroid | carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug |
medrysone | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
medrysone | [no description available] | medium | 2 | 1 | corticosteroid hormone | |
artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 3 | 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 | |
tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 2 | 0 | alpha-chloroketone; sulfonamide | alkylating agent; serine proteinase inhibitor |
cortodoxone | [no description available] | high | 2 | 0 | deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
acebutolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
amiodarone hydrochloride | [no description available] | medium | 1 | 0 | aromatic ketone | |
dicyclomine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antispasmodic drug; muscarinic antagonist |
nortriptyline hydrochloride | [no description available] | medium | 1 | 0 | organic tricyclic compound | geroprotector |
difluprednate | [no description available] | medium | 1 | 0 | butyrate ester; corticosteroid hormone | |
dironyl | [no description available] | medium | 1 | 0 | organic molecular entity | |
amcinonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal | anti-inflammatory drug |
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 |
dihydroergocristine monomesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | alpha-adrenergic antagonist; geroprotector; vasodilator agent |
resveratrol | [no description available] | medium | 8 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 14 | 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 |
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 | 3 | 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 | |
aphidicolin | [no description available] | medium | 2 | 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 |
azaserine | [no description available] | medium | 1 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
maltitol | [no description available] | medium | 1 | 0 | alpha-D-glucoside; glycosyl alditol | laxative; metabolite; sweetening agent |
chalcone | [no description available] | medium | 4 | 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 | |
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 | | |
propylthiouracil | [no description available] | medium | 6 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
phenytoin sodium | [no description available] | medium | 1 | 0 | | |
ipratropium bromide anhydrous | [no description available] | medium | 1 | 0 | | |
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide | [no description available] | medium | 1 | 0 | benzamides | |
methamilane methiodide | [no description available] | medium | 1 | 0 | | |
physostigmine salicylate | [no description available] | medium | 1 | 0 | azaheterocycle salicylate salt; salicylates | |
pilocarpine nitrate | [no description available] | medium | 1 | 0 | | |
n(6)-cyclopentyladenosine | [no description available] | medium | 8 | 0 | | |
methylatropine nitrate | [no description available] | medium | 1 | 0 | | |
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 | |
prothionamide | [no description available] | medium | 1 | 0 | pyridines | |
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
dienestrol | [no description available] | medium | 1 | 0 | | |
4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
caffeic acid | [no description available] | medium | 7 | 0 | caffeic acid | geroprotector; mouse metabolite |
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 | |
urocanic acid | [no description available] | high | 14 | 0 | urocanic acid | human metabolite |
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] | medium | 8 | 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 |
curcumin | [no description available] | medium | 8 | 1 | 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 | |
cinnarizine | [no description available] | medium | 9 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
cinnarizine | [no description available] | medium | 9 | 1 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
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 | |
tacrine hydrochloride | [no description available] | medium | 1 | 0 | | |
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 | |
eskazine | [no description available] | medium | 1 | 0 | | |
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 | |
monooctanoin | [no description available] | medium | 1 | 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 | |
diclofenac sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
biochanin a | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
prostaglandin b1 | [no description available] | medium | 1 | 0 | prostaglandins B | human metabolite |
prostaglandin f1 | [no description available] | medium | 3 | 0 | prostaglandins Falpha | human metabolite |
timolol maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
brompheniramine maleate | [no description available] | medium | 1 | 0 | maleate salt | anti-allergic agent |
zearalenone | [no description available] | medium | 1 | 0 | macrolide; resorcinols | fungal metabolite; mycoestrogen |
estriol 17-glucuronide | [no description available] | medium | 1 | 0 | steroid saponin | |
tranilast | [no description available] | medium | 15 | 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 |
4-hydroxyestradiol | [no description available] | medium | 1 | 0 | 4-hydroxy steroid | metabolite |
menatetrenone | [no description available] | medium | 1 | 0 | menaquinone | anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent |
xylometazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
ketotifen fumarate | [no description available] | medium | 1 | 0 | organoammonium salt | anti-asthmatic drug; H1-receptor antagonist |
dinoprost tromethamine | [no description available] | medium | 1 | 0 | organic molecular entity | |
hydrocortisone valerate | [no description available] | medium | 2 | 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 | | |
phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenylephrine hydrochloride | [no description available] | medium | 67 | 0 | hydrochloride | |
phenylephrine hydrochloride | [no description available] | medium | 67 | 14 | hydrochloride | |
mepyramine 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 |
nalmefene | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
cytochalasin b | [no description available] | medium | 21 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
u-44619 | [no description available] | medium | 1 | 0 | | |
furazolidone | [no description available] | medium | 1 | 0 | | |
tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
molsidomine | [no description available] | medium | 1 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
rg 13022 | [no description available] | medium | 1 | 0 | | |
styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
kavain | [no description available] | medium | 1 | 0 | racemate | glycine receptor antagonist |
enalapril maleate | [no description available] | medium | 1 | 0 | maleate salt | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
trimebutine maleate salt | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
vinblastine sulfate | [no description available] | medium | 1 | 0 | | |
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 | |
n-methylscopolamine bromide | [no description available] | medium | 1 | 0 | | |
naltrexone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
guanabenz acetate | [no description available] | medium | 1 | 0 | dichlorobenzene | geroprotector |
nylidrin hydrochloride | [no description available] | medium | 1 | 0 | alkylbenzene | |
triprolidine hydrochloride anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | H1-receptor antagonist |
phentolamine | [no description available] | medium | 1 | 0 | | |
fendiline hydrochloride | [no description available] | medium | 1 | 0 | | |
tiapridex | [no description available] | medium | 1 | 0 | benzamides | |
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 | |
moxisylyte hydrochloride | [no description available] | medium | 1 | 0 | monoterpenoid | |
dirithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | prodrug |
fluphenazine | [no description available] | medium | 1 | 0 | | |
homochlorocyclizine monohydrochloride | [no description available] | medium | 1 | 0 | | |
butoxamine hydrochloride | [no description available] | medium | 1 | 0 | | |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
protriptyline hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant |
emetine hydrochloride | [no description available] | medium | 1 | 0 | | |
epinephrine bitartrate | [no description available] | medium | 1 | 0 | | |
bicuculline methobromide | [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 |
butylscopolammonium bromide | [no description available] | medium | 2 | 0 | | |
androst-16-en-3-one | [no description available] | medium | 1 | 0 | 3-oxo steroid; androstanoid | mammalian metabolite; pheromone |
butaclamol hydrochloride | [no description available] | medium | 1 | 0 | | |
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 | |
3-morpholino-sydnonimine monohydrochloride | [no description available] | medium | 1 | 0 | | |
cefotaxime sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
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 | 231 | 0 | 3',5'-cyclic purine nucleotide | |
ampicillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
penicillin g potassium | [no description available] | medium | 1 | 0 | organic potassium salt | |
piperacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefoxitin sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
nafcillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
cefamandole nafate | [no description available] | medium | 1 | 0 | organic sodium salt | antibacterial drug |
sodium diatrizoate | [no description available] | medium | 1 | 0 | organic sodium salt; organoiodine compound | radioopaque medium |
estrone sulfate, potassium salt | [no description available] | medium | 1 | 0 | | |
cefazolin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
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 |
oxytetracycline, anhydrous | [no description available] | medium | 2 | 0 | | |
piroxicam | [no description available] | medium | 8 | 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 |
acenocoumarol | [no description available] | medium | 1 | 0 | C-nitro compound; hydroxycoumarin; methyl ketone | anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles; benzothiazine; monocarboxylic acid amide | analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
mobiflex | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
inosine | [no description available] | high | 16 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
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 |
glutamine | [no description available] | high | 33 | 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 |
asparagine | [no description available] | high | 11 | 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 |
d-glutamate | [no description available] | medium | 1 | 0 | D-alpha-amino acid; glutamic acid | Escherichia coli metabolite; mouse metabolite |
glutamic acid | [no description available] | high | 97 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
pitolisant | [no description available] | medium | 6 | 0 | organochlorine compound | |
pitolisant | [no description available] | medium | 6 | 1 | organochlorine compound | |
sk&f 94482 | [no description available] | medium | 1 | 0 | | |
quinpirole | [no description available] | medium | 9 | 0 | pyrazoloquinoline | dopamine agonist |
pramipexole | [no description available] | medium | 1 | 0 | benzothiazoles; diamine | antidyskinesia agent; antiparkinson drug; dopamine agonist; radical scavenger |
jnj-5207852 | [no description available] | medium | 1 | 0 | | |
porphobilinogen | [no description available] | high | 1 | 0 | aralkylamino compound; dicarboxylic acid; pyrroles | Escherichia coli metabolite; metabolite; mouse metabolite |
esculetin | [no description available] | medium | 5 | 0 | hydroxycoumarin | antioxidant; plant metabolite; ultraviolet filter |
esculin | [no description available] | medium | 1 | 0 | beta-D-glucoside; hydroxycoumarin | antioxidant; metabolite |
beta-escin | [no description available] | medium | 29 | 0 | | |
astragaloside a | [no description available] | medium | 1 | 0 | | |
silver | [no description available] | medium | 16 | 2 | copper group element atom; elemental silver | Escherichia coli metabolite |
clozapine n-oxide | [no description available] | medium | 1 | 0 | dibenzodiazepine | |
piperidines | [no description available] | medium | 419 | 32 | | |
angiotensin ii | [no description available] | medium | 336 | 3 | amino acid zwitterion; angiotensin II | human metabolite |
bradykinin | [no description available] | medium | 1,332 | 46 | oligopeptide | human blood serum metabolite; vasodilator agent |
ovalbumin | [no description available] | medium | 609 | 4 | | |
cirsilineol | [no description available] | medium | 1 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
prostaglandin d2 | [no description available] | medium | 183 | 19 | prostaglandins D | human metabolite; mouse metabolite |
leukotriene c4 | [no description available] | medium | 74 | 4 | leukotriene | bronchoconstrictor agent; human metabolite; mouse metabolite |
adenosine diphosphate | [no description available] | medium | 67 | 2 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
cadaverine | [no description available] | medium | 121 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
pyrogallol | [no description available] | medium | 10 | 0 | benzenetriol; phenolic donor | plant metabolite |
procyanidin | [no description available] | medium | 5 | 0 | proanthocyanidin | |
carbostyril | [no description available] | medium | 20 | 2 | monohydroxyquinoline; quinolone | bacterial xenobiotic metabolite |
quinolinic acid | [no description available] | medium | 2 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist |
nitrites | [no description available] | medium | 49 | 1 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
thiourea | [no description available] | medium | 369 | 4 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
olopatadine hydrochloride | [no description available] | medium | 24 | 5 | dibenzooxazepine | |
thyronines | [no description available] | medium | 6 | 0 | thyronine | |
3-iodothyronamine | [no description available] | medium | 2 | 0 | aromatic ether | |
3-iodothyroacetic acid | [no description available] | medium | 3 | 0 | | |
allyl isothiocyanate | [no description available] | medium | 3 | 0 | alkenyl isothiocyanate; isothiocyanate | antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite |
oxymatrine | [no description available] | medium | 1 | 0 | | |
gold | [no description available] | medium | 42 | 2 | copper group element atom; elemental gold | |
orabase | [no description available] | medium | 1 | 0 | | |
mocetinostat | [no description available] | medium | 97 | 10 | 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 |
cysteine | [no description available] | medium | 66 | 3 | cysteinium | fundamental metabolite |
malondialdehyde | [no description available] | medium | 29 | 0 | dialdehyde | biomarker |
rupatadine | [no description available] | medium | 10 | 2 | benzocycloheptapyridine | |
vasoactive intestinal peptide | [no description available] | medium | 131 | 6 | | |
neuromedin b | [no description available] | medium | 2 | 0 | | |
neurokinin b | [no description available] | medium | 6 | 0 | polypeptide | |
natriuretic peptide, brain | [no description available] | medium | 7 | 0 | polypeptide | |
osthol | [no description available] | medium | 8 | 0 | botanical anti-fungal agent; coumarins | metabolite |
substance p | [no description available] | medium | 449 | 15 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
famotidine | [no description available] | medium | 96 | 4 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
dexmedetomidine | [no description available] | medium | 3 | 3 | medetomidine | alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative |
resolvin d2 | [no description available] | medium | 2 | 0 | hydroxy polyunsaturated fatty acid; resolvin; secondary allylic alcohol; triol | anti-inflammatory agent; anti-obesity agent; estrogen receptor agonist; human xenobiotic metabolite; rat metabolite |
resolvin d1 | [no description available] | medium | 3 | 0 | hydroxy polyunsaturated fatty acid; resolvin; triol | anti-inflammatory agent |
menthol | [no description available] | medium | 10 | 2 | p-menthane monoterpenoid; secondary alcohol | volatile oil component |
catechin | [no description available] | medium | 20 | 0 | catechin | antioxidant; plant metabolite |
epigallocatechin gallate | [no description available] | medium | 8 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
imidazole | [no description available] | medium | 30 | 0 | imidazole | |
n-acetylneuraminic acid | [no description available] | medium | 6 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
phenethylamine | [no description available] | medium | 23 | 0 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
phenethylamine | [no description available] | medium | 23 | 1 | alkaloid; aralkylamine; phenylethylamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
tryptamine | [no description available] | high | 39 | 0 | aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines | human metabolite; mouse metabolite; plant metabolite |
gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone; guaiacols | antineoplastic agent; plant metabolite |
1-hexadecyl-2-acetyl-glycero-3-phosphocholine | [no description available] | medium | 374 | 13 | 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine | antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent |
doxepin | [no description available] | medium | 20 | 7 | dibenzooxepine; tertiary amino compound | antidepressant |
tetrodotoxin | [no description available] | medium | 179 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
dibutyl phthalate | [no description available] | medium | 3 | 0 | | |
oligonucleotides | [no description available] | medium | 9 | 0 | | |
tetrabromobisphenol a | [no description available] | medium | 1 | 0 | brominated flame retardant; bromobisphenol | |
cyclic gmp | [no description available] | medium | 239 | 2 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
18-crown-6 | [no description available] | medium | 2 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
uridine triphosphate | [no description available] | medium | 17 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
remifentanil | [no description available] | medium | 4 | 0 | alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester | intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative |
fluticasone | [no description available] | medium | 20 | 9 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester | anti-allergic agent; anti-asthmatic drug |
nadp | [no description available] | medium | 18 | 0 | | |
3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one | [no description available] | medium | 1 | 0 | coumarins | geroprotector |
cadmium | [no description available] | medium | 15 | 0 | cadmium molecular entity; zinc group element atom | |
lactose | [no description available] | medium | 13 | 4 | lactose | |
diminazene | [no description available] | medium | 3 | 0 | carboxamidine; triazene derivative | antiparasitic agent; trypanocidal drug |
edetic acid | [no description available] | medium | 88 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
nafamostat | [no description available] | medium | 5 | 0 | benzoic acids; guanidines | |
n-oleoylethanolamine | [no description available] | medium | 7 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist |
durapatite | [no description available] | medium | 2 | 0 | | |
chlorhexidine | [no description available] | medium | 1 | 0 | biguanides; monochlorobenzenes | antibacterial agent; antiinfective agent |
n-hydroxy-2-aminopyrene | [no description available] | medium | 1 | 0 | | |
carcinine | [no description available] | medium | 18 | 0 | beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound | antioxidant; crustacean metabolite |
kojic acid | [no description available] | medium | 1 | 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 |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 27 | 1 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
quercetin | [no description available] | medium | 19 | 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 |
glycyrrhizic acid | [no description available] | medium | 4 | 0 | enone; glucosiduronic acid; pentacyclic triterpenoid; tricarboxylic acid; triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor; plant metabolite |
ascorbic acid | [no description available] | medium | 129 | 8 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
glycogen | [no description available] | medium | 67 | 0 | | |
alpha-asarone | [no description available] | medium | 3 | 0 | asarone | anticonvulsant; GABA modulator |
cholecystokinin | [no description available] | medium | 123 | 1 | | |
cromolyn sodium | [no description available] | medium | 248 | 37 | organic sodium salt | anti-asthmatic drug; drug allergen |
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 |
pseudouridine | [no description available] | medium | 1 | 0 | pseudouridines | fundamental metabolite |
benzofurans | [no description available] | medium | 41 | 0 | | |
valencene | [no description available] | medium | 1 | 0 | carbobicyclic compound; polycyclic olefin; sesquiterpene | |
sesquiterpenes | [no description available] | medium | 17 | 1 | | |
edetic acid | [no description available] | medium | 1 | 0 | | |
hydroxyproline | [no description available] | medium | 18 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
chondroitin sulfates | [no description available] | medium | 18 | 0 | | |
creatine | [no description available] | medium | 19 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
pantoprazole | [no description available] | medium | 3 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
coenzyme a | [no description available] | medium | 5 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
methionine | [no description available] | medium | 34 | 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 |
arginine | [no description available] | medium | 141 | 1 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
carbachol | [no description available] | medium | 957 | 3 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
leukotriene d4 | [no description available] | medium | 75 | 4 | dipeptide; leukotriene; organic sulfide | bronchoconstrictor agent; human metabolite; mouse metabolite |
brine | [no description available] | medium | 1 | 0 | | |
zolpidem | [no description available] | medium | 5 | 0 | imidazopyridine | central nervous system depressant; GABA agonist; sedative |
adenosine monophosphate | [no description available] | medium | 80 | 24 | 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 |
interleukin-8 | [no description available] | medium | 107 | 11 | | |
thiazoles | [no description available] | medium | 150 | 2 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
isoleucine | [no description available] | medium | 7 | 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 |
threonine | [no description available] | medium | 11 | 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 |
methane | [no description available] | medium | 11 | 2 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
phenyl acetate | [no description available] | medium | 144 | 8 | benzenes; phenyl acetates | |
aluminum sulfate | [no description available] | medium | 2 | 0 | aluminium sulfate | |
eicosapentaenoic acid | [no description available] | medium | 10 | 2 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
docosapentaenoic acid | [no description available] | medium | 1 | 0 | docosapentaenoic acid; omega-3 fatty acid | algal metabolite; human metabolite |
thromboplastin | [no description available] | medium | 13 | 0 | | |
n-glycolylneuraminic acid | [no description available] | medium | 1 | 0 | N-acylneuraminic acid | |
elastin | [no description available] | medium | 3 | 0 | oligopeptide | |
p-methoxy-n-methylphenethylamine | [no description available] | medium | 802 | 21 | aromatic ether; secondary amino compound | metabolite |
diacerein | [no description available] | medium | 1 | 0 | anthraquinone | |
rhein | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
tannins | [no description available] | medium | 7 | 0 | | |
dimethindene | [no description available] | medium | 30 | 14 | indene | |
cadmium oxide | [no description available] | medium | 1 | 0 | | |
clay | [no description available] | medium | 1 | 0 | | |
fibrinogen | [no description available] | medium | 43 | 2 | iditol | fungal metabolite |
berbamine | [no description available] | medium | 3 | 0 | phenylpropanoid | |
palmidrol | [no description available] | medium | 3 | 0 | endocannabinoid; N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug; anticonvulsant; antihypertensive agent; neuroprotective agent |
bufotalin | [no description available] | medium | 1 | 0 | steroid lactone | |
dinitrofluorobenzene | [no description available] | medium | 19 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
dictamnine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
carbene | [no description available] | medium | 1 | 0 | carbene; methanediyl | |
tocopherols | [no description available] | medium | 2 | 0 | | |
d-alpha tocopherol | [no description available] | medium | 26 | 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 |
dansyl chloride | [no description available] | medium | 6 | 0 | aminonaphthalene; sulfonic acid derivative | |
chlorine | [no description available] | medium | 344 | 1 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
vilazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant; serotonergic agonist; serotonin uptake inhibitor |
dihydroergotamine | [no description available] | medium | 12 | 0 | ergot alkaloid; semisynthetic derivative | dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent |
biotin | [no description available] | medium | 8 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
diminazene aceturate | [no description available] | medium | 1 | 0 | N-acetylglycinate salt | antiparasitic agent; trypanocidal drug |
tolonium chloride | [no description available] | medium | 22 | 1 | | |
sitagliptin phosphate | [no description available] | medium | 1 | 0 | | |
cobalt | [no description available] | medium | 24 | 0 | cobalt group element atom; metal allergen | micronutrient |
sucrose | [no description available] | medium | 36 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
trehalose | [no description available] | medium | 1 | 0 | trehalose | Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
ceefourin 1 | [no description available] | medium | 1 | 0 | | |
perovskite | [no description available] | medium | 1 | 0 | | |
leukotriene e4 | [no description available] | medium | 70 | 7 | amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol | |
formaldehyde | [no description available] | medium | 114 | 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 |
vonoprazan | [no description available] | medium | 3 | 0 | pyrroles | |
pyrrolidonecarboxylic acid | [no description available] | medium | 8 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
manganese | [no description available] | medium | 53 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
2,3-naphthalenedicarboxaldehyde | [no description available] | medium | 2 | 0 | | |
o-phthalaldehyde | [no description available] | medium | 43 | 0 | benzaldehydes; dialdehyde | epitope |
naphthalene | [no description available] | medium | 4 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
vitamin b 12 | [no description available] | medium | 63 | 2 | | |
indocyanine green | [no description available] | medium | 3 | 0 | 1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye | |
D-fructopyranose | [no description available] | medium | 18 | 1 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
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 |
erlotinib hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride; terminal acetylenic compound | antineoplastic agent; protein kinase inhibitor |
luminol | [no description available] | medium | 13 | 1 | | |
hydroxyl radical | [no description available] | medium | 6 | 1 | oxygen hydride; oxygen radical; reactive oxygen species | |
iridium | [no description available] | medium | 3 | 1 | cobalt group element atom; platinum group metal atom | |
chlorquinaldol | [no description available] | medium | 1 | 1 | monohydroxyquinoline; organochlorine compound | antibacterial drug; antiprotozoal drug; antiseptic drug |
europium | [no description available] | medium | 1 | 1 | f-block element atom; lanthanoid atom | |
indigo carmine | [no description available] | medium | 2 | 1 | | |
n-methyladenosine | [no description available] | medium | 1 | 1 | methyladenosine | |
nitrogen dioxide | [no description available] | medium | 24 | 6 | nitrogen oxide | |
sodium metabisulfite | [no description available] | medium | 5 | 3 | inorganic sodium salt | food antioxidant |
zinc oxide | [no description available] | medium | 6 | 3 | zinc molecular entity | |
pyrroles | [no description available] | medium | 62 | 2 | pyrrole; secondary amine | |
melatonin | [no description available] | medium | 25 | 1 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
dithiothreitol | [no description available] | medium | 24 | 1 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
lead | [no description available] | medium | 19 | 2 | carbon group element atom; elemental lead; metal atom | neurotoxin |
nickel | [no description available] | medium | 36 | 2 | metal allergen; nickel group element atom | epitope; micronutrient |
hydrogen sulfide | [no description available] | medium | 2 | 1 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
dimethyl sulfoxide | [no description available] | medium | 31 | 3 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
carmine | [no description available] | medium | 1 | 1 | | |
triclosan | [no description available] | medium | 5 | 3 | 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 |
protocatechuic acid | [no description available] | medium | 1 | 1 | 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 |
galactose | [no description available] | medium | 15 | 1 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
ethylene glycol | [no description available] | medium | 1 | 1 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
uracil | [no description available] | medium | 6 | 1 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
acebutolol | [no description available] | medium | 1 | 1 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
hydrogen | [no description available] | medium | 48 | 2 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
shikimic acid | [no description available] | medium | 2 | 1 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
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 |
mitomycin | [no description available] | medium | 3 | 1 | mitomycin | alkylating agent; antineoplastic agent |
cefepime | [no description available] | medium | 1 | 1 | cephalosporin; oxime O-ether | antibacterial drug |
mevalonic acid | [no description available] | medium | 2 | 1 | 3,5-dihydroxy-3-methylpentanoic acid | |
zeolites | [no description available] | medium | 3 | 1 | | |
triazoles | [no description available] | medium | 79 | 2 | 1,2,3-triazole | |
ma-1 | [no description available] | medium | 1 | 1 | carboxamidine; organochlorine compound; pyrimidone; pyrrolidines | antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor |
regorafenib | [no description available] | medium | 1 | 1 | (trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide | antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor |
sulfites | [no description available] | medium | 16 | 4 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
erythrosine | [no description available] | medium | 54 | 2 | | |
arginine vasopressin | [no description available] | medium | 67 | 1 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
glucose, (beta-d)-isomer | [no description available] | medium | 65 | 0 | D-glucopyranose | epitope; mouse metabolite |
alpha-synuclein | [no description available] | medium | 4 | 0 | | |
pheophytin a | [no description available] | medium | 1 | 0 | | |
(4-24)-ply(a) | [no description available] | medium | 1 | 0 | | |
hydrogen carbonate | [no description available] | medium | 120 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
6-cyano-7-nitroquinoxaline-2,3-dione | [no description available] | medium | 5 | 0 | quinoxaline derivative | |
an2728 | [no description available] | medium | 1 | 0 | aromatic ether; benzoxaborole; nitrile | antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor |
oxytocin | [no description available] | medium | 136 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
zirconium | [no description available] | medium | 1 | 0 | titanium group element atom | |
terbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
milnacipran | [no description available] | medium | 2 | 0 | acetamides | |
sb 258585 | [no description available] | medium | 1 | 0 | piperazines | |
amygdalin | [no description available] | medium | 1 | 0 | | |
bw 723c86 | [no description available] | medium | 1 | 0 | | |
transforming growth factor beta | [no description available] | medium | 25 | 0 | | |
2-aminoethoxydiphenyl borate | [no description available] | medium | 9 | 0 | organoboron compound; primary amino compound | calcium channel blocker; IP3 receptor antagonist; potassium channel opener |
1-methyl-3-isobutylxanthine | [no description available] | medium | 161 | 0 | 3-isobutyl-1-methylxanthine | |
thromboxanes | [no description available] | medium | 55 | 2 | | |
salophen | [no description available] | medium | 1 | 0 | | |
aluminum oxide | [no description available] | medium | 2 | 0 | | |
maleic anhydride | [no description available] | medium | 2 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
fluorides | [no description available] | medium | 50 | 0 | halide anion; monoatomic fluorine | |
mercury | [no description available] | medium | 10 | 0 | elemental mercury; zinc group element atom | neurotoxin |
magnolin | [no description available] | medium | 1 | 0 | | |
lignans | [no description available] | medium | 11 | 0 | | |
methanol | [no description available] | medium | 35 | 2 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
dimethyl sulfide | [no description available] | medium | 2 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
hesperidin | [no description available] | medium | 6 | 0 | 3'-hydroxyflavanones; 4'-methoxyflavanones; dihydroxyflavanone; disaccharide derivative; flavanone glycoside; monomethoxyflavanone; rutinoside | mutagen |
stachyose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; tetrasaccharide | mouse metabolite; plant metabolite |
nitroarginine | [no description available] | medium | 39 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
phenylephrine | [no description available] | medium | 198 | 5 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
phosphoserine | [no description available] | medium | 5 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
phosphotyrosine | [no description available] | medium | 8 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
paxilline | [no description available] | medium | 5 | 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 |
dinitrochlorobenzene | [no description available] | medium | 31 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
bulleyaconitine a | [no description available] | medium | 1 | 0 | | |
aconitine | [no description available] | medium | 2 | 0 | | |
hyaluronoglucosaminidase | [no description available] | medium | 75 | 0 | | |
involucrin | [no description available] | medium | 3 | 0 | | |
lissamine rhodamine b | [no description available] | medium | 1 | 0 | | |
tussilagone | [no description available] | medium | 1 | 0 | | |
1,3-dipropyl-8-phenylxanthine | [no description available] | medium | 1 | 0 | oxopurine | |
tetraethoxysilane | [no description available] | medium | 1 | 0 | | |
tellurium | [no description available] | medium | 2 | 0 | chalcogen; metalloid atom | |
titanium | [no description available] | medium | 7 | 1 | titanium group element atom | |
cadmium telluride | [no description available] | medium | 1 | 0 | | |
titanium dioxide | [no description available] | medium | 6 | 0 | titanium oxides | food colouring |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene | [no description available] | medium | 4 | 0 | BODIPY compound | |
gastrin-releasing peptide | [no description available] | medium | 17 | 0 | | |
vitamin b 6 | [no description available] | medium | 6 | 0 | | |
betadex | [no description available] | medium | 6 | 0 | cyclodextrin | |
potassium chloride | [no description available] | medium | 352 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
acrolein | [no description available] | medium | 8 | 1 | enal | herbicide; human xenobiotic metabolite; toxin |
cinnamaldehyde | [no description available] | medium | 4 | 1 | 3-phenylprop-2-enal; cinnamaldehydes | antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent |
ammonium hydroxide | [no description available] | medium | 58 | 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 |
melanotan-ii | [no description available] | medium | 1 | 0 | organic molecular entity | |
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 | |
gefitinib | [no description available] | medium | 1 | 1 | aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound | antineoplastic agent; epidermal growth factor receptor antagonist |
carboplatin | [no description available] | medium | 4 | 1 | | |
1,2-epoxyhexane | [no description available] | medium | 1 | 1 | | |
peroxynitrous acid | [no description available] | medium | 4 | 1 | nitrogen oxoacid | |
dapoxetine | [no description available] | medium | 1 | 1 | naphthalenes | |
calcium borate | [no description available] | medium | 1 | 1 | | |
acetylcellulose | [no description available] | medium | 1 | 1 | | |
thulium | [no description available] | medium | 1 | 1 | f-block element atom; lanthanoid atom | |
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 | 2 | 1 | actinoid atom; f-block element atom; monoatomic uranium | |
lopinavir | [no description available] | medium | 3 | 1 | amphetamines; dicarboxylic acid diamide | anticoronaviral agent; antiviral drug; HIV protease inhibitor |
caprolactam | [no description available] | medium | 1 | 1 | caprolactams | human blood serum metabolite |
ozone | [no description available] | medium | 56 | 5 | 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 | 1 | 1 | fatty acid ester | |
muscone | [no description available] | medium | 1 | 1 | | |
sorbitan monooleate | [no description available] | medium | 1 | 1 | fatty acid ester | |
arsenic | [no description available] | medium | 13 | 1 | metalloid atom; pnictogen | micronutrient |
docetaxel anhydrous | [no description available] | medium | 3 | 1 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
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 |
heme | [no description available] | medium | 11 | 1 | | |
baicalin | [no description available] | medium | 2 | 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 |
citric acid, anhydrous | [no description available] | medium | 36 | 2 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
deoxycytidine | [no description available] | medium | 2 | 1 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cellulose | [no description available] | medium | 16 | 1 | glycoside | |
phosphorus | [no description available] | medium | 39 | 1 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
isoflurane | [no description available] | medium | 10 | 1 | organofluorine compound | inhalation anaesthetic |
ketamine | [no description available] | medium | 34 | 4 | cyclohexanones; monochlorobenzenes; secondary amino compound | analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic |
methadone | [no description available] | medium | 9 | 2 | benzenes; diarylmethane; ketone; tertiary amino compound | |
chitosan | [no description available] | medium | 10 | 1 | | |
ethylene | [no description available] | medium | 2 | 1 | alkene; gas molecular entity | plant hormone; refrigerant |
cholecalciferol | [no description available] | medium | 6 | 1 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
voriconazole | [no description available] | medium | 1 | 1 | conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug | P450 inhibitor |
sulfur dioxide | [no description available] | medium | 30 | 2 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
catalpol | [no description available] | medium | 1 | 1 | | |
glucagon | [no description available] | medium | 156 | 1 | peptide hormone | |
propylene glycol | [no description available] | medium | 4 | 3 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
ritonavir | [no description available] | medium | 1 | 1 | 1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas | antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic |
gemcitabine | [no description available] | medium | 2 | 1 | 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 |
imatinib mesylate | [no description available] | medium | 4 | 1 | methanesulfonate salt | anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor |
thiamethoxam | [no description available] | medium | 1 | 1 | 1,3-thiazoles; 2-nitroguanidine derivative; organochlorine compound; oxadiazane | antifeedant; carcinogenic agent; environmental contaminant; neonicotinoid insectide; xenobiotic |
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 | 1 | 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 |
quinoxalines | [no description available] | medium | 17 | 1 | mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene | |
thiophenes | [no description available] | medium | 38 | 5 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
benzoxazoles | [no description available] | medium | 4 | 1 | 1,3-benzoxazoles; mancude organic heterobicyclic parent | |
glycolipids | [no description available] | medium | 6 | 1 | | |
nitrates | [no description available] | medium | 24 | 2 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
galactose | [no description available] | medium | 41 | 1 | | |
2,3-bis(bromomethyl)quinoxaline-1,4-dioxide | [no description available] | medium | 1 | 1 | | |
apigenin | [no description available] | medium | 3 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
phloretin | [no description available] | medium | 11 | 0 | dihydrochalcones | antineoplastic agent; plant metabolite |
nootkatone | [no description available] | medium | 1 | 0 | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
ng-nitroarginine methyl ester | [no description available] | medium | 145 | 3 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
chlorogenic acid | [no description available] | medium | 6 | 0 | cinnamate ester; tannin | food component; plant metabolite |
icatibant | [no description available] | medium | 13 | 1 | | |
mannose | [no description available] | medium | 9 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
trimethyloxamine | [no description available] | medium | 1 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
thioctic acid | [no description available] | medium | 9 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
2-methylpentane | [no description available] | medium | 3 | 0 | alkane | |
osteoprotegerin | [no description available] | medium | 4 | 0 | long-chain fatty acid | |
elafin | [no description available] | medium | 1 | 0 | | |
peroxymonosulfate | [no description available] | medium | 1 | 0 | sulfur oxide; sulfur oxoanion | |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 6 | 0 | | |
fmrfamide | [no description available] | medium | 12 | 0 | | |
cannabidiol | [no description available] | medium | 2 | 0 | olefinic compound; phytocannabinoid; resorcinols | antimicrobial agent; plant metabolite |
pyridoxal phosphate | [no description available] | medium | 50 | 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 |
hydroxyethyl methacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen; polymerisation monomer |
almorexant | [no description available] | medium | 3 | 0 | isoquinolines | |
resolvin d5 | [no description available] | medium | 1 | 0 | | |
5s,12r,18r-trihydroxy-6z,8e,10e,14z,16e-eicosapentaenoic acid | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; long-chain fatty acid; nonclassic icosanoid; resolvin; triol | anti-inflammatory agent; human xenobiotic metabolite |
perampanel | [no description available] | medium | 2 | 0 | bipyridines; nitrile; pyridone | AMPA receptor antagonist; anticonvulsant |
diphenylcyclopropenone | [no description available] | medium | 1 | 0 | cyclopropenone | drug allergen; hapten; photosensitizing agent |
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline | [no description available] | medium | 2 | 0 | naphthalenes; sulfonic acid derivative | |
mannans | [no description available] | medium | 3 | 0 | | |
chiniofon | [no description available] | medium | 11 | 0 | | |
viridicatol | [no description available] | medium | 1 | 0 | | |
pregabalin | [no description available] | medium | 1 | 1 | gamma-amino acid | anticonvulsant; calcium channel blocker |
imiquimod | [no description available] | medium | 5 | 0 | imidazoquinoline | antineoplastic agent; interferon inducer |
endothelin-1 | [no description available] | medium | 45 | 1 | | |
luteolin | [no description available] | medium | 5 | 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 |
gastrins | [no description available] | medium | 962 | 17 | | |
picryl chloride | [no description available] | medium | 13 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; explosive; hapten |
nevadensin | [no description available] | medium | 1 | 0 | dihydroxyflavone; trimethoxyflavone | plant metabolite |
fluorescein-5-isothiocyanate | [no description available] | medium | 54 | 0 | fluorescein isothiocyanate | |
gw9508 | [no description available] | medium | 1 | 0 | aromatic amine | |
tak-875 | [no description available] | medium | 1 | 0 | biphenyls | |
phencyclidine | [no description available] | medium | 133 | 12 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
histamine phosphate | [no description available] | medium | 90 | 13 | phosphate salt | histamine agonist |
imperatorin | [no description available] | medium | 2 | 0 | psoralens | EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite |
alpha-fluoromethylhistidine | [no description available] | medium | 195 | 1 | | |
alendronate | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); primary amino compound | bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
hypoxanthine | [no description available] | medium | 3 | 0 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
cloperastine | [no description available] | medium | 1 | 0 | diarylmethane | |
lysophosphatidylserine | [no description available] | medium | 6 | 0 | 1-acyl-sn-glycero-3-phosphoserine | |
cilostamide | [no description available] | medium | 1 | 0 | quinolines | |
9-(2-hydroxy-3-nonyl)adenine | [no description available] | medium | 2 | 0 | | |
trifluoromethanesulfonic acid | [no description available] | medium | 1 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
lysophosphatidylcholines | [no description available] | medium | 23 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
glyoxal | [no description available] | medium | 1 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
phenylacetaldehyde | [no description available] | medium | 1 | 0 | alpha-CH2-containing aldehyde; phenylacetaldehydes | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pyruvaldehyde | [no description available] | medium | 1 | 0 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
acetaldehyde | [no description available] | medium | 27 | 1 | 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 |
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | imidazopyridine; primary amino compound | carcinogenic agent; mutagen |
stannic oxide | [no description available] | medium | 1 | 0 | tin oxide | |
urea | [no description available] | medium | 46 | 4 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
landiolol | [no description available] | medium | 1 | 0 | morpholines | |
lysophosphatidic acid | [no description available] | medium | 1 | 0 | 1-acyl-sn-glycerol 3-phosphate | |
ferric ferrocyanide | [no description available] | medium | 1 | 0 | | |
surfactin peptide | [no description available] | medium | 1 | 0 | | |
salicylaldehyde | [no description available] | medium | 3 | 0 | hydroxybenzaldehyde | nematicide; plant metabolite |
ethanolamine | [no description available] | medium | 5 | 0 | ethanolamines; primary alcohol; primary amine | Escherichia coli metabolite; human metabolite; mouse metabolite |
metoprine | [no description available] | medium | 39 | 0 | | |
gentamicin | [no description available] | medium | 8 | 0 | | |
sisomicin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
capsazepine | [no description available] | medium | 9 | 0 | benzazepine; catechols; monochlorobenzenes; thioureas | capsaicin receptor antagonist |
hc 030031 | [no description available] | medium | 2 | 0 | | |
arachidonic acid | [no description available] | medium | 183 | 1 | 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 |
methylamine | [no description available] | medium | 9 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
4-methylimidazole | [no description available] | medium | 2 | 0 | imidazoles | carcinogenic agent; reaction intermediate |
1-methyl-3-ethylimidazolium | [no description available] | medium | 1 | 0 | 1-alkyl-3-methylimidazolium | |
beta-endorphin | [no description available] | medium | 40 | 2 | | |
blz-100 | [no description available] | medium | 1 | 0 | | |
caseins | [no description available] | medium | 36 | 1 | | |
mivacurium | [no description available] | medium | 9 | 5 | isoquinolines | |
naphthoquinones | [no description available] | medium | 8 | 0 | | |
dora-22 | [no description available] | medium | 1 | 0 | | |
linarin | [no description available] | medium | 1 | 0 | | |
glycosides | [no description available] | medium | 17 | 0 | | |
nocodazole | [no description available] | medium | 6 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
leukotriene b4 | [no description available] | medium | 139 | 8 | dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid | human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent |
thapsigargin | [no description available] | medium | 93 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
kynurenine | [no description available] | medium | 5 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
ferulic acid | [no description available] | medium | 2 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
alpha-methylhistamine | [no description available] | medium | 87 | 0 | aralkylamino compound; imidazoles | animal metabolite; H3-receptor agonist |
alpha-methylhistamine | [no description available] | medium | 87 | 1 | aralkylamino compound; imidazoles | animal metabolite; H3-receptor agonist |
acetonitrile | [no description available] | medium | 4 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
toluene | [no description available] | medium | 14 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
trichloroacetic acid | [no description available] | medium | 8 | 1 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
taurine | [no description available] | medium | 21 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
ginsenoside f2 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | antineoplastic agent; apoptosis inducer; plant metabolite |
ginsenosides | [no description available] | medium | 11 | 0 | | |
ginsenoside m1 | [no description available] | medium | 2 | 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 |
carbidopa | [no description available] | medium | 6 | 0 | | |
carbidopa, levodopa drug combination | [no description available] | medium | 1 | 0 | | |
sinomenine | [no description available] | medium | 9 | 0 | morphinane alkaloid | |
morphinans | [no description available] | medium | 15 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
methacrylic acid | [no description available] | medium | 2 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
ethylene dimethacrylate | [no description available] | medium | 2 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
skullcapflavone ii | [no description available] | medium | 1 | 0 | dihydroxyflavone; tetramethoxyflavone | anti-asthmatic drug; plant metabolite |
nile red | [no description available] | medium | 1 | 0 | aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound | fluorochrome; histological dye |
tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid; pyridoindole; tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
xanthenes | [no description available] | medium | 19 | 1 | xanthene | |
chrysin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; dihydroxyflavone | anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite |
silicon nitride | [no description available] | medium | 1 | 0 | | |
n-methylaspartate | [no description available] | medium | 26 | 0 | amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound | neurotransmitter agent |
tantalum | [no description available] | medium | 4 | 0 | vanadium group element atom | |
tantalum oxide | [no description available] | medium | 1 | 0 | | |
palladium | [no description available] | medium | 4 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
2-methyl-5-ht | [no description available] | medium | 4 | 0 | tryptamines | serotonergic agonist |
roflumilast | [no description available] | medium | 3 | 0 | aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound | anti-asthmatic drug; phosphodiesterase IV inhibitor |
tadalafil | [no description available] | medium | 1 | 0 | benzodioxoles; pyrazinopyridoindole | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
alpha-aminopyridine | [no description available] | medium | 48 | 2 | | |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 19 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
phytic acid | [no description available] | medium | 1 | 0 | inositol phosphate | |
inositol 1,4,5-trisphosphate | [no description available] | medium | 97 | 0 | myo-inositol trisphosphate | mouse metabolite |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
enkephalin, methionine | [no description available] | medium | 23 | 0 | | |
oxazolone | [no description available] | medium | 7 | 0 | | |
octopamine | [no description available] | medium | 37 | 0 | phenylethanolamines; tyramines | neurotransmitter |
corilagin | [no description available] | medium | 1 | 0 | ellagitannin; gallate ester | antihypertensive agent; antioxidant; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; non-steroidal anti-inflammatory drug |
lurasidone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic antagonist; dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist |
12-o-retinoylphorbol-13-acetate | [no description available] | medium | 2 | 0 | | |
yil 781 | [no description available] | medium | 1 | 0 | | |
strontium | [no description available] | medium | 17 | 1 | alkaline earth metal atom | |
ro13-9904 | [no description available] | medium | 3 | 1 | | |
phenol | [no description available] | medium | 6 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
croton oil | [no description available] | medium | 12 | 0 | N-acyl-hexosamine | |
serine | [no description available] | medium | 28 | 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 |
butyrolactone i | [no description available] | medium | 1 | 0 | butenolide | |
4-butyrolactone | [no description available] | medium | 2 | 0 | butan-4-olide | metabolite; neurotoxin |
suplatast tosilate | [no description available] | medium | 3 | 0 | | |
g(m1) ganglioside | [no description available] | medium | 3 | 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 | |
clinoptilolite | [no description available] | medium | 1 | 0 | | |
mordenite | [no description available] | medium | 1 | 0 | | |
8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | medium | 5 | 0 | phenols; tertiary amino compound; tetralins | serotonergic antagonist |
cytochalasin e | [no description available] | medium | 2 | 0 | cytochalasan alkaloid | metabolite |
tetradecanoylphorbol acetate | [no description available] | medium | 198 | 1 | 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 |
blister | [no description available] | medium | 1 | 0 | cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone | inhibitor |
2,3,5,6-tetrafluorobenzenethiol | [no description available] | medium | 1 | 0 | | |
cyclohexanone | [no description available] | medium | 1 | 0 | cyclohexanones | human xenobiotic metabolite |
tiletamine hydrochloride | [no description available] | medium | 4 | 0 | | |
chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antiviral agent; plant metabolite |
fluorescamine | [no description available] | medium | 14 | 0 | | |
5,6-dihydroxy-7,9,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
s 1743 | [no description available] | medium | 3 | 0 | magnesium salt | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
biocytin | [no description available] | medium | 3 | 0 | azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas | mouse metabolite |
cordycepin | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | antimetabolite; nucleoside antibiotic |
hexamethonium | [no description available] | medium | 45 | 1 | quaternary ammonium salt | |
proline | [no description available] | medium | 17 | 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 |
prolyl-glycyl-proline | [no description available] | medium | 2 | 0 | peptide | |
n-oleoyldopamine | [no description available] | medium | 1 | 0 | catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide | TRPV1 agonist |
phorbolol myristate acetate | [no description available] | medium | 4 | 0 | | |
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 |
calcimycin | [no description available] | medium | 242 | 0 | benzoxazole | |
fluorine | [no description available] | medium | 10 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
betulinic acid | [no description available] | medium | 3 | 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 |
concanavalin a | [no description available] | medium | 104 | 0 | | |
spiradoline | [no description available] | medium | 2 | 0 | | |
adrenomedullin | [no description available] | medium | 7 | 0 | | |
rotenone | [no description available] | medium | 5 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
muramidase | [no description available] | medium | 49 | 3 | | |
hydroxychloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug |
sapropterin | [no description available] | medium | 3 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
montelukast | [no description available] | medium | 16 | 6 | aliphatic sulfide; monocarboxylic acid; quinolines | anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist |
coptisine | [no description available] | medium | 1 | 0 | alkaloid | metabolite |
berberine | [no description available] | medium | 7 | 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 |
epinastine | [no description available] | medium | 18 | 6 | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
zoledronic acid | [no description available] | medium | 3 | 0 | 1,1-bis(phosphonic acid); imidazoles | bone density conservation agent |
uric acid | [no description available] | medium | 25 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
cytosine | [no description available] | medium | 3 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
trimellitic anhydride | [no description available] | medium | 2 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid | allergen; epitope; hapten |
2-aminoadipic acid | [no description available] | medium | 2 | 1 | amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid | Caenorhabditis elegans metabolite; mammalian metabolite |
fibrinopeptide a | [no description available] | medium | 2 | 2 | | |
allysine | [no description available] | medium | 1 | 0 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
allysine | [no description available] | medium | 1 | 1 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thymoquinone | [no description available] | medium | 4 | 0 | 1,4-benzoquinones | adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite |
hydroxyurea | [no description available] | medium | 16 | 3 | 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 |
physcione | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite |
emodin | [no description available] | medium | 3 | 0 | trihydroxyanthraquinone | antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor |
colistin | [no description available] | medium | 6 | 0 | | |
agar | [no description available] | medium | 14 | 0 | | |
rn 1747 | [no description available] | medium | 1 | 0 | | |
rn 1734 | [no description available] | medium | 1 | 0 | | |
hc-067047 | [no description available] | medium | 1 | 0 | | |
homocysteine | [no description available] | medium | 17 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
laccase | [no description available] | medium | 1 | 0 | | |
propyl gallate | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
isoamylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | bacterial metabolite; plant metabolite |
pci 32765 | [no description available] | medium | 1 | 0 | acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide | antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
1,3,4-oxadiazole | [no description available] | medium | 1 | 0 | | |
lupane | [no description available] | medium | 1 | 0 | | |
oxadiazoles | [no description available] | medium | 15 | 0 | | |
ecallantide | [no description available] | medium | 2 | 0 | | |
sodium hypochlorite | [no description available] | medium | 6 | 0 | inorganic sodium salt | bleaching agent; disinfectant |
enkephalin, ala(2)-mephe(4)-gly(5)- | [no description available] | medium | 6 | 0 | | |
fluticasone furoate | [no description available] | medium | 2 | 2 | 11beta-hydroxy steroid; 2-furoate ester; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; fluorinated steroid; steroid ester; thioester | anti-allergic agent; anti-asthmatic drug; prodrug |
itaconic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; dicarboxylic fatty acid; olefinic compound | fungal metabolite; human metabolite |
n(1)-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinium ion | algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
3,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | catechols; polyphenol; resorcinols; stilbenol | antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor |
stilbenes | [no description available] | medium | 18 | 0 | stilbene | |
neurokinin a | [no description available] | medium | 50 | 3 | | |
anandamide | [no description available] | medium | 3 | 0 | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
virodhamine | [no description available] | medium | 1 | 0 | fatty acid ester | |
muscimol | [no description available] | medium | 18 | 0 | alkaloid; isoxazoles; primary amino compound | fungal metabolite; GABA agonist; oneirogen; psychotropic drug |
bicuculline | [no description available] | medium | 17 | 0 | benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines | agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin |
lauric acid | [no description available] | medium | 3 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; antibacterial agent; plant metabolite |
chlorin p6 | [no description available] | medium | 2 | 0 | | |
thromboxane a2 | [no description available] | medium | 95 | 0 | epoxy monocarboxylic acid; thromboxanes A | mouse metabolite |
ginkgolide b | [no description available] | medium | 16 | 1 | | |
n-arachidonylglycine | [no description available] | medium | 1 | 0 | fatty amide; N-acylglycine | |
ag 3-5 | [no description available] | medium | 1 | 0 | C-nitro compound | |
pyrimidinones | [no description available] | medium | 28 | 1 | | |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
methylimidazoleacetic acid | [no description available] | medium | 58 | 0 | imidazoles; monocarboxylic acid | GABA agonist; metabolite |
methylimidazoleacetic acid | [no description available] | medium | 58 | 1 | imidazoles; monocarboxylic acid | GABA agonist; metabolite |
iodine | [no description available] | medium | 38 | 0 | diatomic iodine | nutrient |
iodine | [no description available] | medium | 38 | 1 | diatomic iodine | nutrient |
u 73122 | [no description available] | medium | 21 | 0 | aromatic ether; aza-steroid; maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
4-amylcinnamoylanthranilic acid | [no description available] | medium | 1 | 0 | amidobenzoic acid; cinnamamides; secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker |
staurosporine | [no description available] | medium | 40 | 0 | ammonium ion derivative | |
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc | [no description available] | medium | 3 | 0 | amino tetrasaccharide; glucosamine oligosaccharide | epitope |
colforsin | [no description available] | medium | 214 | 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 |
potassium bromide | [no description available] | medium | 1 | 0 | potassium salt | |
fpl 64176 | [no description available] | medium | 1 | 0 | carboxylic ester; pyrroles | calcium channel agonist |
bromide | [no description available] | medium | 12 | 0 | halide anion; monoatomic bromine | |
sodium hydroxide | [no description available] | medium | 10 | 0 | alkali metal hydroxide | |
neopterin | [no description available] | medium | 2 | 0 | | |
y 27632 | [no description available] | medium | 16 | 0 | aromatic amide | |
sphingosine | [no description available] | medium | 18 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
sphingosine 1-phosphate | [no description available] | medium | 9 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
caulerpin | [no description available] | medium | 1 | 0 | | |
nitroglycerin | [no description available] | medium | 90 | 2 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
sophoricoside | [no description available] | medium | 1 | 0 | acrovestone; isoflavonoid | |
myelin oligodendrocyte glycoprotein (35-55) | [no description available] | medium | 4 | 0 | | |
dehydroepiandrosterone | [no description available] | medium | 5 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
bisphenol a | [no description available] | medium | 3 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
fulvestrant | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide | antineoplastic agent; estrogen antagonist; estrogen receptor antagonist |
u 0126 | [no description available] | medium | 9 | 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 |
fura-2 | [no description available] | medium | 102 | 0 | | |
atrial natriuretic factor | [no description available] | medium | 36 | 5 | polypeptide | |
alloxan | [no description available] | medium | 13 | 0 | pyrimidone | hyperglycemic agent; metabolite |
ginsenoside rk1 | [no description available] | medium | 1 | 0 | | |
2-octanol | [no description available] | medium | 1 | 1 | octanol; secondary alcohol | plant metabolite; volatile oil component |
brefeldin a | [no description available] | medium | 4 | 1 | macrolide antibiotic | Penicillium metabolite |
mefloquine | [no description available] | medium | 2 | 1 | | |
glycidyl nitrate | [no description available] | medium | 4 | 0 | | |
tangeretin | [no description available] | medium | 1 | 0 | pentamethoxyflavone | antineoplastic agent; plant metabolite |
nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent; plant metabolite |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
2-amino-5-phosphonovalerate | [no description available] | medium | 8 | 0 | non-proteinogenic alpha-amino acid | NMDA receptor antagonist |
dizocilpine maleate | [no description available] | medium | 14 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
sodium glutamate | [no description available] | medium | 4 | 0 | monosodium glutamate | flavouring agent |
quassin | [no description available] | medium | 1 | 0 | triterpenoid | |
barium chloride | [no description available] | medium | 28 | 0 | barium salt; inorganic chloride | potassium channel blocker |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 2 | 0 | | |
phenanthrene | [no description available] | medium | 4 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
phenanthrenes | [no description available] | medium | 9 | 0 | | |
kaempferol | [no description available] | medium | 7 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
deuterium | [no description available] | medium | 17 | 0 | dihydrogen | |
trinitrobenzenesulfonic acid | [no description available] | medium | 10 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
5-aminoindole | [no description available] | medium | 1 | 0 | indolamine | |
denbufylline | [no description available] | medium | 1 | 0 | oxopurine | |
org 30029 | [no description available] | medium | 1 | 0 | | |
rocuronium | [no description available] | medium | 6 | 3 | 3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound | drug allergen; muscle relaxant; neuromuscular agent |
seryl-leucyl-isoleucyl-glycyl--arginyl-leucinamide | [no description available] | medium | 12 | 0 | | |
3,6-anhydrogalactose | [no description available] | medium | 1 | 0 | aldehyde; anhydrohexose | |
spinochrome a | [no description available] | medium | 1 | 0 | | |
1,4-naphthoquinone | [no description available] | medium | 1 | 0 | 1,4-naphthoquinones | |
alpha,beta-methyleneadenosine 5'-triphosphate | [no description available] | medium | 10 | 0 | nucleoside triphosphate analogue | |
tiotropium bromide | [no description available] | medium | 3 | 0 | | |
olodaterol | [no description available] | medium | 2 | 0 | aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent |
dieckol | [no description available] | medium | 1 | 0 | aromatic ether; oxacycle; phlorotannin | anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger |
oleanolic acid | [no description available] | medium | 6 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
oleanonic acid | [no description available] | medium | 1 | 0 | | |
allyl sulfide | [no description available] | medium | 1 | 0 | organic sulfide | |
lactoferrin | [no description available] | medium | 13 | 2 | | |
7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one | [no description available] | medium | 4 | 0 | | |
sodium arsenite | [no description available] | medium | 2 | 0 | arsenic molecular entity; inorganic sodium salt | antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide |
okadaic acid | [no description available] | medium | 10 | 0 | ketal | |
ns 1619 | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes; benzimidazoles; phenols | potassium channel opener |
cardiovascular agents | [no description available] | medium | 28 | 1 | | |
picrotoxin | [no description available] | medium | 10 | 0 | | |
thymol | [no description available] | medium | 1 | 0 | monoterpenoid; phenols | volatile oil component |
guanosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 43 | 0 | nucleoside triphosphate analogue | |
gamma-sitosterol | [no description available] | medium | 2 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols | marine metabolite; plant metabolite |
cytellin | [no description available] | medium | 2 | 0 | | |
dihydrostreptomycin sulfate | [no description available] | medium | 2 | 0 | | |
stearates | [no description available] | medium | 1 | 0 | | |
vitamin k 1 | [no description available] | medium | 2 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
sodium dodecyl sulfate | [no description available] | medium | 11 | 2 | organic sodium salt | detergent; protein denaturant |
sarcosine | [no description available] | medium | 2 | 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 |
sarkosyl | [no description available] | medium | 1 | 0 | | |
galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
acridine orange | [no description available] | medium | 7 | 0 | aminoacridines; aromatic amine; tertiary amino compound | fluorochrome; histological dye |
h 89 | [no description available] | medium | 13 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
fibrin | [no description available] | medium | 29 | 0 | peptide | |
alpha-methylhistidine | [no description available] | medium | 6 | 0 | alpha-methylhistidine | |
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(phenylmethyl)ammonium | [no description available] | medium | 1 | 0 | amino acid amide | |
noscapine | [no description available] | medium | 2 | 0 | aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound | antineoplastic agent; antitussive; apoptosis inducer; plant metabolite |
dextromethorphan | [no description available] | medium | 4 | 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 |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 80 | 1 | tripeptide | |
ilaprazole | [no description available] | medium | 2 | 0 | benzimidazoles; sulfoxide | |
thymine | [no description available] | medium | 3 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
ruthenium | [no description available] | medium | 5 | 0 | iron group element atom; platinum group metal atom | |
s-adenosylmethionine | [no description available] | medium | 51 | 1 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
trk 820 | [no description available] | medium | 2 | 0 | phenanthrenes | |
caffeic acid phenethyl ester | [no description available] | medium | 4 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
phenylethyl alcohol | [no description available] | medium | 6 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
ammonium sulfate | [no description available] | medium | 14 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
neuropeptide y | [no description available] | medium | 40 | 2 | | |
sb 705498 | [no description available] | medium | 2 | 1 | | |
dehydroeffusol | [no description available] | medium | 1 | 0 | | |
pituitrin | [no description available] | medium | 248 | 1 | | |
2,3,4-tri-o-acetylarabinopyranosyl isothiocyanate | [no description available] | medium | 2 | 0 | | |
tramadol | [no description available] | medium | 2 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime | [no description available] | medium | 1 | 0 | | |
cv 6209 | [no description available] | medium | 10 | 0 | | |
sk&f 91488 | [no description available] | medium | 27 | 0 | | |
polidocanol | [no description available] | medium | 1 | 1 | hydroxypolyether | hepatotoxic agent; nonionic surfactant; sclerotherapy agent |
pyrethrins | [no description available] | medium | 2 | 1 | | |
quercetagetin | [no description available] | medium | 1 | 0 | flavonols; hexahydroxyflavone | antioxidant; antiviral agent; plant metabolite |
decamethrin | [no description available] | medium | 1 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
radolmidine | [no description available] | medium | 1 | 0 | | |
piperine | [no description available] | medium | 5 | 0 | benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide | food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite |
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | [no description available] | medium | 41 | 20 | 21-hydroxy steroid | |
3,4-dihydroxyphenylethanol | [no description available] | medium | 2 | 0 | catechols; primary alcohol | antineoplastic agent; antioxidant; metabolite |
potassium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
triiodothyronine | [no description available] | medium | 36 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
2-octenal | [no description available] | medium | 1 | 0 | oct-2-enal | antifungal agent; volatile oil component |
2-hexenal, z-isomer | [no description available] | medium | 1 | 0 | 2-hexenal | antibacterial agent; flavouring agent; plant metabolite |
omega-n-methylarginine | [no description available] | medium | 42 | 2 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
phenolsulfonphthalein | [no description available] | medium | 4 | 0 | 2,1-benzoxathiole; arenesulfonate ester; phenols; sultone | acid-base indicator; diagnostic agent; two-colour indicator |
carbon tetrachloride | [no description available] | medium | 13 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
iopromide | [no description available] | medium | 4 | 1 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
iohexol | [no description available] | medium | 10 | 2 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine | [no description available] | medium | 1 | 0 | | |
cystamine | [no description available] | medium | 26 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
4-aminobutanol | [no description available] | medium | 1 | 0 | | |
bencycloquidium bromide | [no description available] | medium | 1 | 0 | | |
sodium acetate | [no description available] | medium | 1 | 0 | | |
s-777469 | [no description available] | medium | 1 | 0 | | |
beta-hederin | [no description available] | medium | 2 | 0 | triterpenoid | |
chloropyramine | [no description available] | medium | 7 | 0 | aminopyridine | |
singlet oxygen | [no description available] | medium | 2 | 0 | chalcogen; monoatomic oxygen; nonmetal atom | macronutrient |
sphingosine kinase | [no description available] | medium | 6 | 0 | | |
cyanates | [no description available] | medium | 17 | 0 | | |
methysergide | [no description available] | medium | 191 | 1 | ergoline alkaloid | |
8-bromo cyclic adenosine monophosphate | [no description available] | medium | 34 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound | antidepressant; protein kinase agonist |
phosphoric acid, trisodium salt | [no description available] | medium | 1 | 0 | sodium phosphate | |
ly 392098 | [no description available] | medium | 1 | 0 | | |
al 8810 | [no description available] | medium | 1 | 0 | long-chain fatty acid | |
hydrazine | [no description available] | medium | 55 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid | [no description available] | medium | 60 | 0 | | |
sq 29548 | [no description available] | medium | 4 | 0 | | |
17-phenyltrinorprostaglandin e2 | [no description available] | medium | 2 | 0 | alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol | human metabolite; prostaglandin receptor agonist |
pf-04418948 | [no description available] | medium | 1 | 0 | | |
butamirate | [no description available] | medium | 1 | 1 | alkylbenzene | |
squaric acid dibutyl ester | [no description available] | medium | 1 | 0 | cyclic ketone; diether | allergen; immunological adjuvant |
f-chemotactic peptide-fluorescein | [no description available] | medium | 1 | 0 | | |
galactosyl-(1-3)galactose | [no description available] | medium | 1 | 0 | O-acyl carbohydrate | |
boron | [no description available] | medium | 5 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
leptin | [no description available] | medium | 35 | 0 | | |
ergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols | fungal metabolite; Saccharomyces cerevisiae metabolite |
mk 0663 | [no description available] | medium | 1 | 0 | bipyridines; organochlorine compound; sulfone | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound | carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin |
gamma-terpinene | [no description available] | medium | 1 | 0 | cyclohexadiene; monoterpene | antioxidant; human xenobiotic metabolite; plant metabolite; volatile oil component |
clobetasol | [no description available] | medium | 9 | 6 | 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 |
transforming growth factor alpha | [no description available] | medium | 10 | 0 | | |
epsilon-viniferin | [no description available] | medium | 1 | 0 | 1-benzofurans; polyphenol; stilbenoid | metabolite |
dantrolene | [no description available] | medium | 7 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
isobutyraldehyde | [no description available] | medium | 1 | 0 | 2-methyl-branched fatty aldehyde; propanals | Saccharomyces cerevisiae metabolite |
cesium | [no description available] | medium | 12 | 0 | alkali metal atom | |
cesium chloride | [no description available] | medium | 3 | 0 | inorganic caesium salt; inorganic chloride | phase-transfer catalyst; vasoconstrictor agent |
zd 7288 | [no description available] | medium | 1 | 0 | | |
thiazolidines | [no description available] | medium | 5 | 0 | thiazolidine | |
nicorandil | [no description available] | medium | 4 | 0 | nitrate ester; pyridinecarboxamide | potassium channel opener; vasodilator agent |
4',5,7-trihydroxy-3,6-dimethoxyflavone | [no description available] | medium | 1 | 0 | | |
3-methoxytyramine | [no description available] | medium | 2 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
imidazoleacetic acid | [no description available] | high | 32 | 0 | imidazoles; monocarboxylic acid | metabolite; mouse metabolite |
homovanillic acid | [no description available] | medium | 14 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
peoniflorin | [no description available] | medium | 1 | 0 | | |
8-cyclopentyl-1,3-dimethylxanthine | [no description available] | medium | 3 | 0 | oxopurine | |
rifamycins | [no description available] | medium | 1 | 0 | | |
bay 11-7082 | [no description available] | medium | 1 | 0 | nitrile; sulfone | apoptosis inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor |
amarogentin | [no description available] | medium | 1 | 0 | monosaccharide derivative; secoiridoid glycoside | EC 5.99.1.2 (DNA topoisomerase) inhibitor; metabolite |
iridoids | [no description available] | medium | 5 | 0 | | |
toluene 2,4-diisocyanate | [no description available] | medium | 32 | 0 | toluene meta-diisocyanate | allergen; hapten |
gadolinium | [no description available] | medium | 9 | 0 | f-block element atom; lanthanoid atom | |
glycopyrrolate | [no description available] | medium | 9 | 0 | organic bromide salt; quaternary ammonium salt | |
trimethylenediamine | [no description available] | medium | 2 | 0 | alkane-alpha,omega-diamine | human metabolite; mouse metabolite; reagent |
tryptophol | [no description available] | medium | 1 | 0 | indolyl alcohol | auxin; plant metabolite; Saccharomyces cerevisiae metabolite |
4-hydroxyphenylethanol | [no description available] | medium | 1 | 0 | phenols | anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent |
biliatresone | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; benzodioxoles; enone; phenols | plant metabolite; toxin |
xe 991, anthracenone | [no description available] | medium | 2 | 0 | anthracenes | |
xanthine | [no description available] | medium | 6 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
androstane-3,17-diol glucuronide | [no description available] | medium | 1 | 0 | steroid ester | |
androstane-3,17-diol | [no description available] | medium | 2 | 1 | 17-hydroxy steroid; 3-hydroxy steroid; androstanoid | |
allatotropin | [no description available] | medium | 1 | 0 | | |
inosinic acid | [no description available] | medium | 2 | 0 | inosine phosphate; purine ribonucleoside 5'-monophosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
vortioxetine | [no description available] | medium | 1 | 0 | aryl sulfide; N-arylpiperazine | antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist |
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 |
2-chloromandelic acid | [no description available] | medium | 1 | 0 | | |
glutaral | [no description available] | medium | 16 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
lactulose | [no description available] | medium | 2 | 1 | | |
4-hydroxybenzoic acid | [no description available] | medium | 1 | 1 | monohydroxybenzoic acid | algal metabolite; plant metabolite |
aldosterone | [no description available] | medium | 37 | 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 |
fingolimod hydrochloride | [no description available] | medium | 2 | 0 | hydrochloride | immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist |
procaterol | [no description available] | medium | 13 | 2 | quinolines | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
platinum | [no description available] | medium | 7 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | medium | 1 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
1,3-propanediol | [no description available] | medium | 1 | 0 | propane-1,3-diols | metabolite; protic solvent |
phosphatidylinositol 4-phosphate | [no description available] | medium | 2 | 0 | | |
oleylamide | [no description available] | medium | 1 | 0 | primary fatty amide | human metabolite; plant metabolite |
3-hydroxyflavone | [no description available] | medium | 2 | 0 | flavonols; monohydroxyflavone | |
oxalates | [no description available] | medium | 4 | 0 | | |
morin | [no description available] | medium | 3 | 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 |
tacrolimus | [no description available] | medium | 10 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
benzonitrile, 4-(2-(2-((2r)-2-methyl-1-pyrrolidinyl)ethyl)-5-benzofuranyl)- | [no description available] | medium | 3 | 0 | | |
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 |
dihydrotestosterone | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
pd 98059 | [no description available] | medium | 11 | 0 | aromatic amine; monomethoxyflavone | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector |
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one | [no description available] | medium | 4 | 0 | chromones; morpholines; organochlorine compound | autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector |
magnesium sulfate | [no description available] | medium | 13 | 3 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
isoquercitrin | [no description available] | medium | 1 | 0 | | |
formononetin | [no description available] | medium | 1 | 0 | 4'-methoxyisoflavones; 7-hydroxyisoflavones | phytoestrogen; plant metabolite |
silicon | [no description available] | medium | 3 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
web 2086 | [no description available] | medium | 25 | 1 | organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
neuropeptide f | [no description available] | medium | 1 | 0 | | |
11-cis-retinal | [no description available] | medium | 2 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
oseltamivir | [no description available] | medium | 3 | 2 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
bilastine | [no description available] | medium | 5 | 3 | benzimidazoles | |
corazonin protein, insect | [no description available] | medium | 1 | 0 | | |
valinomycin | [no description available] | medium | 6 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
2,4-dinitrophenol | [no description available] | medium | 6 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
monensin | [no description available] | medium | 5 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
piperazine | [no description available] | medium | 6 | 0 | azacycloalkane; piperazines; saturated organic heteromonocyclic parent | anthelminthic drug |
transferrin | [no description available] | medium | 7 | 0 | | |
beta-eudesmol | [no description available] | medium | 1 | 0 | carbobicyclic compound; eudesmane sesquiterpenoid; tertiary alcohol | volatile oil component |
way 100135 | [no description available] | medium | 2 | 0 | piperazines | |
l 703606 | [no description available] | medium | 1 | 0 | | |
quinuclidines | [no description available] | medium | 14 | 0 | quinuclidines; saturated organic heterobicyclic parent | |
n(6)-cyclohexyladenosine | [no description available] | medium | 3 | 0 | | |
nitrilotriacetic acid | [no description available] | medium | 1 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
fostriecin | [no description available] | medium | 1 | 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 |
nitrous oxide | [no description available] | medium | 17 | 5 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
nitrogenase | [no description available] | medium | 1 | 0 | | |
cytochrome c-t | [no description available] | medium | 3 | 0 | | |
gabexate | [no description available] | medium | 4 | 0 | benzoate ester | |
dimethylsulfonioacetate | [no description available] | medium | 1 | 0 | sulfonium betaine | |
potassium iodide | [no description available] | medium | 2 | 0 | potassium salt | expectorant; radical scavenger |
intrinsic factor | [no description available] | medium | 86 | 2 | | |
l 733060 | [no description available] | medium | 2 | 0 | piperidines | |
oxidopamine | [no description available] | medium | 18 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
thromboxane b2 | [no description available] | medium | 92 | 5 | thromboxanes B | human metabolite; mouse metabolite |
1-palmitoyl-2-oleoylphosphatidylcholine | [no description available] | medium | 1 | 0 | | |
phosphatidylcholines | [no description available] | medium | 28 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
7-epiclusianone | [no description available] | medium | 1 | 0 | | |
pancreastatin | [no description available] | medium | 22 | 0 | | |
tafluprost | [no description available] | medium | 1 | 0 | isopropyl ester; organofluorine compound; prostaglandins Falpha | prostaglandin receptor agonist |
sevoflurane | [no description available] | medium | 6 | 0 | ether; organofluorine compound | central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor |
halothane | [no description available] | medium | 34 | 1 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
fluo-3 | [no description available] | medium | 11 | 0 | xanthene dye | fluorochrome |
fura-2-am | [no description available] | medium | 11 | 0 | | |
pentagastrin | [no description available] | medium | 689 | 6 | organic molecular entity | |
ribose | [no description available] | medium | 11 | 0 | D-ribose; ribopyranose | |
oxazoles | [no description available] | medium | 23 | 1 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
organophosphonates | [no description available] | medium | 4 | 0 | divalent inorganic anion; phosphite ion | |
emedastine | [no description available] | medium | 11 | 0 | benzimidazoles | anti-allergic agent; antipruritic drug; H1-receptor antagonist |
charybdotoxin | [no description available] | medium | 11 | 0 | | |
fenamic acid | [no description available] | medium | 12 | 0 | aminobenzoic acid; secondary amino compound | membrane transport modulator |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 19 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
egtazic acid | [no description available] | medium | 82 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; hydroxamic acid | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor |
higenamine | [no description available] | medium | 1 | 0 | norcoclaurine | |
ascorbigen | [no description available] | medium | 1 | 0 | indolyl carbohydrate | metabolite |
thonzylamine | [no description available] | medium | 3 | 0 | methoxybenzenes | |
rutin | [no description available] | medium | 21 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
tubocurarine | [no description available] | medium | 95 | 2 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
diethylamine | [no description available] | medium | 3 | 0 | secondary aliphatic amine | |
pyridine | [no description available] | medium | 9 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
ethylenediamine | [no description available] | medium | 13 | 0 | alkane-alpha,omega-diamine | GABA agonist |
ether | [no description available] | medium | 33 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
dimethylethylenediamine | [no description available] | medium | 7 | 0 | | |
caprylic aldehyde | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | plant metabolite |
nonanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | human metabolite; plant metabolite |
iridium oxide | [no description available] | medium | 2 | 0 | | |
cyclosporine | [no description available] | medium | 23 | 0 | | |
swertiamarin | [no description available] | medium | 1 | 0 | glycoside | |
chymostatin | [no description available] | medium | 2 | 0 | | |
coformycin | [no description available] | medium | 2 | 0 | coformycins | EC 3.5.4.4 (adenosine deaminase) inhibitor |
taurocholic acid | [no description available] | medium | 11 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
iloprost | [no description available] | medium | 9 | 0 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 49 | 1 | prostaglandins Falpha | human metabolite; mouse metabolite |
cyn 154806 | [no description available] | medium | 2 | 0 | | |
dehydroxymethylepoxyquinomicin | [no description available] | medium | 2 | 0 | | |
copper sulfate | [no description available] | medium | 2 | 0 | metal sulfate | emetic; fertilizer; sensitiser |
pyrazole | [no description available] | medium | 5 | 0 | pyrazole | |
lubiprostone | [no description available] | medium | 1 | 0 | | |
mastoparan | [no description available] | medium | 9 | 0 | mastoparans; peptidyl amide | antimicrobial agent |
acetohexamide | [no description available] | medium | 1 | 0 | | |
lanthanum | [no description available] | medium | 44 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
sr 95531 | [no description available] | medium | 5 | 0 | methoxybenzenes | |
aminophylline | [no description available] | medium | 108 | 2 | mixture | bronchodilator agent; cardiotonic drug |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 3 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
salmeterol xinafoate | [no description available] | medium | 19 | 11 | naphthoic acid | |
sb 334867-a | [no description available] | medium | 1 | 0 | naphthyridine derivative | |
1,1'-diethyl-2,2'-cyanine | [no description available] | medium | 3 | 0 | 1,1'-diethyl-2,2'-cyanine; quinolines | |
diphenyl sulfide | [no description available] | medium | 1 | 0 | aryl sulfide | |
methylphenylsulfide | [no description available] | medium | 1 | 0 | aryl sulfide; benzenes | |
vanadium | [no description available] | medium | 5 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
benzoin | [no description available] | medium | 1 | 0 | benzoins; secondary alpha-hydroxy ketone | EC 3.1.1.1 (carboxylesterase) inhibitor |
sq-23377 | [no description available] | medium | 52 | 0 | cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid | calcium ionophore; metabolite |
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 |
naltrexazone | [no description available] | medium | 1 | 0 | | |
ym 022 | [no description available] | medium | 14 | 0 | | |
epiglucan | [no description available] | medium | 2 | 0 | | |
20-hydroxy-5,8,11,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | HETE; hydroxy monocarboxylic acid | human metabolite; mouse metabolite |
1-aminobenzotriazole | [no description available] | medium | 1 | 0 | | |
n-hydroxy-n'-(4-butyl-2-methylphenyl)formamidine | [no description available] | medium | 1 | 0 | toluenes | |
quinazolines | [no description available] | medium | 20 | 1 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines | |
ciglitazone | [no description available] | medium | 1 | 0 | aromatic ether; thiazolidinone | antineoplastic agent; insulin-sensitizing drug |
methylphenidate | [no description available] | medium | 5 | 0 | beta-amino acid ester; methyl ester; piperidines | |
pseudomonas aeruginosa autoinducer | [no description available] | medium | 1 | 0 | N-acyl homoserine lactone | |
homoserine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homoserine | algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
tau 284 | [no description available] | medium | 5 | 1 | organosulfonate salt | anti-allergic agent; H1-receptor antagonist |
5-(n-4-chlorobenzyl)-n-(2',4'-dimethyl)benzamil | [no description available] | medium | 1 | 0 | | |
ellagic acid | [no description available] | medium | 1 | 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 |
acetylacetone | [no description available] | medium | 1 | 0 | beta-diketone | |
benzo(a)pyrene | [no description available] | medium | 4 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
doxantrazole | [no description available] | medium | 8 | 0 | | |
phloroglucinol | [no description available] | medium | 2 | 0 | benzenetriol; phenolic donor | algal metabolite |
cyanides | [no description available] | medium | 43 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
scoparone | [no description available] | medium | 1 | 0 | aromatic ether; coumarins | anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
4-bromo-6-(3-(4-chlorophenyl)propoxy)-5-(3-pyridylmethylamino)-3(2h)-pyridazinone hydrochloride | [no description available] | medium | 1 | 0 | | |
mecamylamine | [no description available] | medium | 27 | 0 | primary aliphatic amine | |
1,2-naphthoquinone-4-sulfonate | [no description available] | medium | 1 | 0 | arenesulfonic acid; naphthalenone | colorimetric reagent |
phosphorylcholine | [no description available] | medium | 5 | 0 | phosphocholines | allergen; epitope; hapten; human metabolite; mouse metabolite |
sphingosine phosphorylcholine | [no description available] | medium | 4 | 0 | | |
fk 156 | [no description available] | medium | 1 | 0 | | |
diaminopimelic acid | [no description available] | medium | 1 | 0 | 2,6-diaminopimelic acid; amino acid zwitterion | Escherichia coli metabolite |
fr 41565 | [no description available] | medium | 1 | 0 | | |
lipid a | [no description available] | medium | 3 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
ag-490 | [no description available] | medium | 1 | 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 |
sodium selenite | [no description available] | medium | 1 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
sepharose | [no description available] | medium | 7 | 0 | | |
am 251 | [no description available] | medium | 3 | 0 | amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles | antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist |
2-chloro-n(6)cyclopentyladenosine | [no description available] | medium | 2 | 0 | | |
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine | [no description available] | medium | 1 | 0 | | |
propane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity | food propellant |
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 6 | 0 | adenosines; monocarboxylic acid amide; organoiodine compound | adenosine A3 receptor agonist |
1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine | [no description available] | medium | 1 | 0 | | |
mrs 1191 | [no description available] | medium | 2 | 0 | cinnamate ester | |
rs 39604 | [no description available] | medium | 1 | 0 | hydrochloride | serotonergic antagonist |
dihydropyridines | [no description available] | medium | 12 | 0 | | |
alpha-fluoromethylhistamine | [no description available] | medium | 12 | 0 | | |
sb 203580 | [no description available] | medium | 9 | 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 |
itraconazole | [no description available] | medium | 1 | 1 | 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 |
carebastine | [no description available] | medium | 5 | 1 | diarylmethane | |
neurotensin | [no description available] | medium | 43 | 1 | peptide hormone | human metabolite; mitogen; neurotransmitter; vulnerary |
alcian blue | [no description available] | medium | 9 | 0 | | |
ly 379268 | [no description available] | medium | 1 | 0 | amino dicarboxylic acid; bridged compound; organic heterobicyclic compound | antipsychotic agent; anxiolytic drug; metabotropic glutamate receptor agonist; neuroprotective agent |
1-butanol | [no description available] | medium | 10 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
ketanserin | [no description available] | medium | 30 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
2-anthramine | [no description available] | medium | 1 | 0 | anthracenamine | |
ifenprodil | [no description available] | medium | 2 | 0 | piperidines | |
cgp 39653 | [no description available] | medium | 1 | 0 | | |
c-peptide | [no description available] | medium | 2 | 0 | | |
benzylamine | [no description available] | medium | 12 | 0 | aralkylamine; primary amine | allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite |
carbamylhydrazine | [no description available] | medium | 9 | 0 | carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas | |
sodium fluoride | [no description available] | medium | 41 | 1 | fluoride salt | mutagen |
lipoteichoic acid | [no description available] | medium | 3 | 0 | | |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 11 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
hederagenin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
kaurenoic acid | [no description available] | medium | 1 | 0 | | |
17-hydroxy-ent-kaur-15-en-19-oic acid | [no description available] | medium | 1 | 0 | kaurane diterpenoid | |
diisononyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | plasticiser |
diethylhexyl phthalate | [no description available] | medium | 1 | 0 | diester; phthalate ester | androstane receptor agonist; apoptosis inhibitor; plasticiser |
1,1-diethyl-2-hydroxy-2-nitrosohydrazine | [no description available] | medium | 1 | 0 | organic anion | |
dieldrin | [no description available] | medium | 2 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
ddt | [no description available] | medium | 2 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
dichlorodiphenyl dichloroethylene | [no description available] | medium | 2 | 0 | chlorophenylethylene; monochlorobenzenes | human xenobiotic metabolite; persistent organic pollutant |
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 |
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein | [no description available] | medium | 6 | 0 | | |
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide | [no description available] | medium | 5 | 0 | | |
sulfur | [no description available] | medium | 22 | 1 | chalcogen; nonmetal atom | macronutrient |
barium | [no description available] | medium | 175 | 0 | alkaline earth metal atom; elemental barium | |
cytochalasin d | [no description available] | medium | 11 | 0 | | |
hydrocortisone aceponate | [no description available] | medium | 1 | 1 | corticosteroid hormone | |
panaxynol | [no description available] | medium | 1 | 0 | long-chain fatty alcohol | |
mercuric chloride | [no description available] | medium | 6 | 0 | mercury coordination entity | sensitiser |
cytidine diphosphate choline | [no description available] | medium | 4 | 1 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite |
zinc chloride | [no description available] | medium | 5 | 0 | inorganic chloride; zinc molecular entity | astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid |
filipin | [no description available] | medium | 3 | 0 | | |
ergonovine | [no description available] | medium | 23 | 1 | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
epidermal growth factor | [no description available] | medium | 54 | 1 | | |
aniline | [no description available] | medium | 4 | 0 | anilines; primary arylamine | |
phosgene | [no description available] | medium | 2 | 0 | acyl chloride | |
peptones | [no description available] | medium | 52 | 0 | | |
benzylaniline | [no description available] | medium | 1 | 0 | | |
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine | [no description available] | medium | 3 | 0 | N-substituted diamine; pyridines; tertiary amino compound | apoptosis inducer; chelator; copper chelator |
salicylates | [no description available] | medium | 70 | 1 | monohydroxybenzoate | plant metabolite |
benzophenone | [no description available] | medium | 1 | 0 | benzophenones | photosensitizing agent; plant metabolite |
acteoside | [no description available] | medium | 2 | 0 | catechols; cinnamate ester; disaccharide derivative; glycoside; polyphenol | anti-inflammatory agent; antibacterial agent; antileishmanial agent; neuroprotective agent; plant metabolite |
echinacoside | [no description available] | medium | 1 | 0 | oligosaccharide | |
bemesetron | [no description available] | medium | 1 | 0 | | |
aminopyrine | [no description available] | medium | 240 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
digoxigenin | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 14beta-hydroxy steroid; 3beta-hydroxy steroid; 3beta-sterol | hapten; plant metabolite |
iotrolan | [no description available] | medium | 2 | 0 | organic molecular entity | |
kb r7943 | [no description available] | medium | 5 | 0 | | |
carbamates | [no description available] | medium | 22 | 0 | amino-acid anion | |
sch 23390 | [no description available] | medium | 2 | 0 | benzazepine | |
fluorexon | [no description available] | medium | 1 | 0 | xanthene dye | fluorochrome |
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 |
fisetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone | anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite |
stearoylethanolamide | [no description available] | medium | 1 | 0 | N-acylethanolamine 18:0 | |
sertaconazole | [no description available] | medium | 1 | 0 | 1-benzothiophenes; dichlorobenzene; ether; imidazoles | |
mk-0524 | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
fluorodeoxyglucose f18 | [no description available] | medium | 1 | 0 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
phytosphingosine | [no description available] | medium | 1 | 0 | amino alcohol; sphingoid; triol | mouse metabolite; Saccharomyces cerevisiae metabolite |
su 1498 | [no description available] | medium | 1 | 0 | enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide | vascular endothelial growth factor receptor antagonist |
levocabastine | [no description available] | medium | 16 | 6 | piperidines | |
sch 28080 | [no description available] | medium | 13 | 0 | imidazopyridine | |
oxymetazoline | [no description available] | medium | 19 | 3 | carboxamidine; imidazolines; phenols | alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent |
valine | [no description available] | medium | 7 | 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 |
1-phenylpropanol | [no description available] | medium | 1 | 0 | organic molecular entity | |
safranal | [no description available] | medium | 2 | 0 | monoterpenoid | |
hydroxyindoleacetic acid | [no description available] | medium | 102 | 1 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
5,7-dihydroxytryptamine | [no description available] | medium | 2 | 0 | | |
sk&f-38393 | [no description available] | medium | 3 | 0 | benzazepine; catechols; secondary amino compound | |
abarelix | [no description available] | medium | 1 | 0 | polypeptide | antineoplastic agent; hormone antagonist |
cetrorelix | [no description available] | medium | 1 | 0 | oligopeptide | antineoplastic agent; GnRH antagonist |
ganirelix | [no description available] | medium | 1 | 0 | polypeptide | |
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 | |
phosphoramidon | [no description available] | medium | 14 | 1 | deoxyaldohexose phosphate; dipeptide | bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor |
ornithine | [no description available] | medium | 12 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
betamethasone | [no description available] | medium | 25 | 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 |
plumbagin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone; phenols | anticoagulant; antineoplastic agent; immunological adjuvant; metabolite |
camphor, (+-)-isomer | [no description available] | medium | 2 | 1 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
trichloroethylene | [no description available] | medium | 7 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
motilin | [no description available] | medium | 7 | 1 | | |
hydrochloric acid | [no description available] | medium | 125 | 4 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
carbodiimides | [no description available] | medium | 8 | 0 | carbodiimide | |
sulfapyridine | [no description available] | medium | 1 | 0 | pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic |
angiotensinogen | [no description available] | medium | 1 | 0 | | |
cgp 52432 | [no description available] | medium | 1 | 0 | dichlorobenzene | |
rottlerin | [no description available] | medium | 2 | 0 | aromatic ketone; benzenetriol; chromenol; enone; methyl ketone | anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite |
lysophosphatidylinositol | [no description available] | medium | 2 | 0 | | |
ethyl chloride | [no description available] | medium | 2 | 2 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
oxatomide | [no description available] | medium | 9 | 1 | benzimidazoles; diarylmethane; N-alkylpiperazine | anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist |
norlapachol | [no description available] | medium | 1 | 0 | | |
lapachol | [no description available] | medium | 1 | 0 | | |
ono 1078 | [no description available] | medium | 13 | 3 | chromones | |
sto 609 | [no description available] | medium | 1 | 0 | naphthoic acid | |
naphthalimides | [no description available] | medium | 1 | 0 | | |
2-naphthylamine | [no description available] | medium | 2 | 0 | naphthylamine | carcinogenic agent |
atractylenolide iii | [no description available] | medium | 1 | 0 | naphthofuran | metabolite |
isocorydine | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
n-methylcorydaldine | [no description available] | medium | 1 | 0 | quinolone | metabolite |
4-o-methyl-12-o-tetradecanoylphorbol 13-acetate | [no description available] | medium | 2 | 0 | | |
theanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; N(5)-alkyl-L-glutamine | geroprotector; neuroprotective agent; plant metabolite |
naadp | [no description available] | medium | 2 | 0 | nicotinic acid dinucleotide | calcium channel agonist; metabolite; signalling molecule |
2,2,6,6-tetramethylpiperidin-4-yl heptanoate | [no description available] | medium | 1 | 0 | fatty acid ester | |
ml 7 | [no description available] | medium | 2 | 0 | N-sulfonyldiazepane; organoiodine compound | EC 2.7.11.18 (myosin-light-chain kinase) inhibitor |
acetone | [no description available] | medium | 7 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
pimagedine | [no description available] | medium | 57 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
n(omega)-hydroxyarginine | [no description available] | medium | 1 | 0 | amino acid zwitterion; N(5)-[(E)-amino(hydroxyimino)methyl]ornithine; N(5)-[(hydroxyamino)(imino)methyl]ornithine; N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine; N(5)-[amino(hydroxyimino)methyl]-L-ornithine; N(5)-[amino(hydroxyimino)methyl]ornithine; N(omega)-hydroxy-L-arginine | |
copper adenosine triphosphate | [no description available] | medium | 1 | 0 | | |
deoxyglucose | [no description available] | medium | 60 | 0 | | |
mdl 100907 | [no description available] | medium | 2 | 0 | | |
clonazepam | [no description available] | medium | 10 | 0 | 1,4-benzodiazepinone; monochlorobenzenes | anticonvulsant; anxiolytic drug; GABA modulator |
cgp 37157 | [no description available] | medium | 9 | 0 | benzothiazepine | |
triamcinolone | [no description available] | medium | 9 | 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 |
boranes | [no description available] | medium | 1 | 0 | boranes; mononuclear parent hydride | |
ryanodine | [no description available] | medium | 34 | 0 | | |
resiniferatoxin | [no description available] | medium | 5 | 0 | carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone | analgesic; neurotoxin; plant metabolite; TRPV1 agonist |
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide | [no description available] | medium | 1 | 0 | | |
sb 366791 | [no description available] | medium | 1 | 0 | | |
sulfuric acid | [no description available] | medium | 5 | 0 | sulfur oxoacid | catalyst |
kanamycin a | [no description available] | medium | 6 | 0 | kanamycins | bacterial metabolite |
muromonab-cd3 | [no description available] | medium | 1 | 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 |
ethane | [no description available] | medium | 2 | 0 | alkane; gas molecular entity | plant metabolite; refrigerant |
iberiotoxin | [no description available] | medium | 12 | 0 | | |
tram 34 | [no description available] | medium | 3 | 0 | organochlorine compound | |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 14 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
prucalopride | [no description available] | medium | 2 | 0 | benzamides | |
insulin detemir | [no description available] | medium | 1 | 1 | | |
go 6976 | [no description available] | medium | 6 | 0 | indolocarbazole; organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
phalloidine | [no description available] | medium | 6 | 0 | homodetic cyclic peptide | |
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 |
heparitin sulfate | [no description available] | medium | 6 | 0 | | |
purine | [no description available] | medium | 3 | 0 | purine | |
selenium | [no description available] | medium | 11 | 1 | chalcogen; nonmetal atom | micronutrient |
sodium oxybate | [no description available] | medium | 1 | 0 | | |
phorbol-12-myristate | [no description available] | medium | 2 | 0 | | |
methionyl-leucyl-phenylalanine | [no description available] | medium | 1 | 0 | oligopeptide | |
marmin | [no description available] | medium | 1 | 0 | | |
ezogabine | [no description available] | medium | 1 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
flupirtine | [no description available] | medium | 1 | 0 | aminopyridine | |
budesonide, formoterol fumarate drug combination | [no description available] | medium | 1 | 1 | | |
anidulafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; azamacrocycle; echinocandin; heterodetic cyclic peptide; semisynthetic derivative | |
gsk 1004723 | [no description available] | medium | 1 | 0 | | |
orsellinic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid; resorcinols | fungal metabolite; marine metabolite; metabolite |
pyocyanine | [no description available] | medium | 1 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
acetoacetic acid | [no description available] | medium | 1 | 0 | 3-oxo fatty acid; ketone body | metabolite |
carboxymethyl-beta-cyclodextrin | [no description available] | medium | 1 | 0 | | |
estradiol 3-benzoate | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; benzoate ester | estrogen receptor agonist; xenoestrogen |
tolvaptan | [no description available] | medium | 1 | 0 | benzazepine; benzenedicarboxamide | aquaretic; vasopressin receptor antagonist |
ovalicin | [no description available] | medium | 1 | 0 | | |
concanamycin a | [no description available] | medium | 1 | 0 | carbamate ester; concanamycin | antifungal agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; metabolite |
gadolinium chloride | [no description available] | medium | 2 | 0 | gadolinium coordination entity | TRP channel blocker |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 7 | 0 | | |
carbenoxolone sodium | [no description available] | medium | 6 | 0 | triterpenoid | |
1-pyrenebutyrate | [no description available] | medium | 1 | 0 | | |
n-hydroxysuccinimide | [no description available] | medium | 2 | 0 | | |
peracetic acid | [no description available] | medium | 1 | 0 | a peroxy acid | disinfectant; oxidising agent |
clenbuterol | [no description available] | medium | 5 | 1 | amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline | beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent |
apelin-12 peptide | [no description available] | medium | 1 | 0 | oligopeptide | biomarker; human blood serum metabolite; human metabolite; neuroprotective agent |
agnuside | [no description available] | medium | 1 | 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 |
ono-ae1-329 | [no description available] | medium | 3 | 0 | | |
3-methyladenine | [no description available] | medium | 1 | 0 | | |
bafilomycin a | [no description available] | medium | 3 | 0 | | |
lafutidine | [no description available] | medium | 3 | 0 | organic molecular entity | |
sb 408124 | [no description available] | medium | 1 | 0 | organohalogen compound; quinolines | |
td-5108 | [no description available] | medium | 1 | 0 | | |
tranexamic acid | [no description available] | medium | 3 | 0 | amino acid | |
tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
cyclo(7-aminoheptanoylphenylalanyl-tryptophyl-lysyl-benzylthreonyl) | [no description available] | medium | 1 | 0 | | |
ono 4057 | [no description available] | medium | 1 | 0 | | |
acid phosphatase | [no description available] | medium | 38 | 0 | | |
2-methylthio-atp | [no description available] | medium | 3 | 0 | | |
hydantoins | [no description available] | medium | 3 | 0 | imidazolidine-2,4-dione | |
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate | [no description available] | medium | 11 | 0 | trihydroxybenzoic acid | |
tetrafluoroaluminate | [no description available] | medium | 2 | 0 | | |
sibutramine | [no description available] | medium | 1 | 0 | organochlorine compound; tertiary amino compound | anti-obesity agent; serotonin uptake inhibitor |
acetylglucosamine | [no description available] | medium | 8 | 0 | N-acetyl-D-glucosamine | epitope |
4'-o-methylepigallocatechin | [no description available] | medium | 1 | 0 | catechin | metabolite |
ethyl cellulose | [no description available] | medium | 1 | 0 | glycoside | |
cyclohexane | [no description available] | medium | 1 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
methyl nicotinate | [no description available] | medium | 2 | 1 | aromatic carboxylic acid; pyridines | |
rhod-2 | [no description available] | medium | 1 | 0 | | |
apyrase | [no description available] | medium | 1 | 0 | | |
diethyl (ethoxymethylene)malonate | [no description available] | medium | 1 | 0 | | |
cetyltrimethylammonium ion | [no description available] | medium | 2 | 0 | quaternary ammonium ion | |
phlorhizin | [no description available] | medium | 3 | 0 | aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative | antioxidant; plant metabolite |
kn 62 | [no description available] | medium | 6 | 0 | piperazines | |
kt 5720 | [no description available] | medium | 7 | 0 | carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol | EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor |
muscarine | [no description available] | medium | 17 | 0 | monosaccharide | |
diamide | [no description available] | medium | 1 | 0 | 1,1'-azobis(N,N-dimethylformamide) | |
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 rh1 | [no description available] | medium | 1 | 0 | 12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid | plant metabolite |
panduratin a | [no description available] | medium | 1 | 0 | diarylheptanoid | metabolite |
aprepitant | [no description available] | medium | 2 | 1 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
myelin basic protein | [no description available] | medium | 10 | 0 | | |
calcium lactate | [no description available] | medium | 1 | 0 | | |
mannobiose | [no description available] | medium | 2 | 0 | mannobiose | |
sodium sulfite | [no description available] | medium | 3 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
anethole | [no description available] | medium | 1 | 0 | anethole | flavouring agent |
estragole | [no description available] | medium | 1 | 0 | alkenylbenzene; monomethoxybenzene; phenylpropanoid | carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite |
bafilomycin a1 | [no description available] | medium | 2 | 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 |
carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; carvones | allergen |
nad | [no description available] | medium | 25 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
293b cpd | [no description available] | medium | 2 | 0 | 1-benzopyran | |
c.i. 42510 | [no description available] | medium | 2 | 0 | | |
sulfan blue | [no description available] | medium | 2 | 0 | organic molecular entity | |
beta-escin | [no description available] | medium | 9 | 0 | triterpenoid saponin | |
cinnamamide | [no description available] | medium | 1 | 0 | cinnamamide | |
pholcodine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | antitussive; drug allergen; mu-opioid receptor agonist; opioid analgesic |
carbon monoxide | [no description available] | medium | 16 | 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 |
dermatan sulfate | [no description available] | medium | 3 | 0 | amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate | |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | medium | 7 | 0 | adenosines; dicarboxylic acid monoamide; monocarboxylic acid | adenosine A2A receptor agonist; anti-inflammatory agent |
tesmilifene | [no description available] | medium | 9 | 0 | diarylmethane | |
mercaptoethanol | [no description available] | medium | 17 | 0 | alkanethiol; primary alcohol | geroprotector |
aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
dipyrone | [no description available] | medium | 5 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
sym-trinitrobenzene | [no description available] | medium | 6 | 0 | trinitrobenzene | explosive |
oxotremorine m | [no description available] | medium | 8 | 0 | quaternary ammonium ion | muscarinic agonist |
masoprocol | [no description available] | medium | 11 | 0 | nordihydroguaiaretic acid | antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite |
pramoxine | [no description available] | medium | 2 | 0 | aromatic ether; morpholines | local anaesthetic |
lfm a13 | [no description available] | medium | 1 | 0 | | |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 3 | 0 | | |
pyrithiamine | [no description available] | medium | 3 | 0 | | |
sb 202190 | [no description available] | medium | 2 | 0 | imidazoles; organofluorine compound; phenols; pyridines | apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
anabasine | [no description available] | medium | 1 | 0 | anabasine | |
k 76 carboxylic acid | [no description available] | medium | 1 | 0 | | |
isorhapontigenin | [no description available] | medium | 1 | 0 | stilbenoid | |
n-(1-methyl-2-phenylethyl)adenosine | [no description available] | medium | 1 | 0 | | |
9-methylanthracene | [no description available] | medium | 1 | 0 | | |
mibefradil | [no description available] | medium | 2 | 0 | tetralins | T-type calcium channel blocker |
raclopride | [no description available] | medium | 1 | 0 | salicylamides | |
adenosine-3',5'-cyclic phosphorothioate | [no description available] | medium | 9 | 0 | nucleoside 3',5'-cyclic phosphorothioate | |
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide | [no description available] | medium | 1 | 0 | naphthalenes; organochlorine compound; primary amino compound; sulfonamide | |
nystatin a1 | [no description available] | medium | 8 | 0 | nystatins | |
isoluminol | [no description available] | medium | 1 | 0 | | |
dithiadene | [no description available] | medium | 6 | 0 | dithiadene | |
casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone; tetramethoxyflavone | apoptosis inducer; plant metabolite |
mci 9038 | [no description available] | medium | 1 | 0 | peptide | |
cp 99994 | [no description available] | medium | 5 | 0 | | |
substance p (6-11) | [no description available] | medium | 3 | 0 | | |
guanosine triphosphate | [no description available] | medium | 45 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
guanosine diphosphate | [no description available] | medium | 10 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
way 123398 | [no description available] | medium | 1 | 0 | | |
wogonin | [no description available] | medium | 1 | 0 | dihydroxyflavone; monomethoxyflavone | angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite |
wogonoside | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid; glycosyloxyflavone; monohydroxyflavone; monomethoxyflavone; monosaccharide derivative | |
phosphoramidite | [no description available] | medium | 1 | 0 | | |
mrs 1220 | [no description available] | medium | 2 | 0 | quinazolines | |
dehydroepiandrosterone sulfate | [no description available] | medium | 4 | 0 | 17-oxo steroid; steroid sulfate | EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | medium | 7 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
inositol 3-phosphate | [no description available] | medium | 8 | 0 | | |
bradykinin, leu(8)-des-arg(9)- | [no description available] | medium | 2 | 0 | | |
iodoacetamide | [no description available] | medium | 4 | 0 | | |
kynurenic acid | [no description available] | medium | 6 | 0 | monohydroxyquinoline; quinolinemonocarboxylic acid | G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite |
7-chlorokynurenic acid | [no description available] | medium | 1 | 0 | organochlorine compound; quinolinemonocarboxylic acid | neuroprotective agent; NMDA receptor antagonist |
fucose | [no description available] | medium | 14 | 2 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
tropisetron | [no description available] | medium | 6 | 2 | indolyl carboxylic acid | |
8-epi-prostaglandin f2alpha | [no description available] | medium | 2 | 0 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
acetyl chloride | [no description available] | medium | 1 | 0 | acyl chloride | |
ici 118551 | [no description available] | medium | 8 | 0 | aromatic ether; indanes; secondary alcohol; secondary amino compound | beta-adrenergic antagonist |
l 365260 | [no description available] | medium | 11 | 0 | benzodiazepine | |
cycloheximide | [no description available] | medium | 60 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
cathepsin g | [no description available] | medium | 3 | 0 | | |
n-acetylsphingosine | [no description available] | medium | 2 | 0 | N-acylsphingosine | |
2,2-bis(bromomethyl)-1,3-propanediol | [no description available] | medium | 1 | 0 | primary alcohol | |
sincalide | [no description available] | medium | 31 | 0 | oligopeptide | |
indolactam v | [no description available] | medium | 1 | 0 | indoles | |
evodiamine | [no description available] | medium | 1 | 0 | beta-carbolines | |
milrinone | [no description available] | medium | 6 | 1 | bipyridines; nitrile; pyridone | cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
pimobendan | [no description available] | medium | 3 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
aurintricarboxylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid; quinomethanes; tricarboxylic acid | fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist |
flunitrazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes | anxiolytic drug; GABAA receptor agonist; sedative |
osteum | [no description available] | medium | 2 | 0 | organic molecular entity | |
oleic acid | [no description available] | medium | 6 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
technetium tc 99m pentetate | [no description available] | medium | 6 | 0 | | |
cephalosporin c | [no description available] | medium | 1 | 0 | cephalosporin | fungal metabolite |
dextrothyroxine | [no description available] | medium | 2 | 0 | | |
avermectin | [no description available] | medium | 1 | 0 | | |
thiazolyl blue | [no description available] | medium | 3 | 1 | organic bromide salt | colorimetric reagent; dye |
metallothionein | [no description available] | medium | 1 | 0 | | |
dehydroleucodine | [no description available] | medium | 2 | 0 | | |
dactinomycin | [no description available] | medium | 46 | 0 | actinomycin | mutagen |
thimerosal | [no description available] | medium | 8 | 0 | alkylmercury compound | antifungal drug; antiseptic drug; disinfectant; drug allergen |
verlukast | [no description available] | medium | 8 | 0 | | |
kainic acid | [no description available] | medium | 12 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
domoic acid | [no description available] | medium | 1 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
zaprinast | [no description available] | medium | 10 | 0 | triazolopyrimidines | |
siguazodan | [no description available] | medium | 5 | 0 | pyridazinone | |
dronabinol | [no description available] | medium | 13 | 1 | benzochromene; diterpenoid; phytocannabinoid; polyketide | cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic |
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol | [no description available] | medium | 1 | 1 | | |
ro 31-8220 | [no description available] | medium | 14 | 0 | imidothiocarbamic ester; indoles; maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
ha 1004 | [no description available] | medium | 2 | 0 | isoquinolines | |
kt 5823 | [no description available] | medium | 2 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
8-((4-chlorophenyl)thio)cyclic-3',5'-gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; aryl sulfide; organochlorine compound; ribonucleotide | protein kinase agonist |
deoxyuridine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
herbimycin | [no description available] | medium | 4 | 0 | 1,4-benzoquinones; lactam; macrocycle | antimicrobial agent; apoptosis inducer; herbicide; Hsp90 inhibitor; tyrosine kinase inhibitor |
ag-213 | [no description available] | medium | 1 | 0 | | |
sk&f-96356 | [no description available] | medium | 1 | 0 | | |
fura-pe3 | [no description available] | medium | 1 | 0 | | |
s 3226 | [no description available] | medium | 2 | 0 | | |
deoxycholic acid | [no description available] | medium | 6 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
amphotericin b | [no description available] | medium | 4 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
l 743,872 | [no description available] | medium | 1 | 0 | | |
amphotericin b, deoxycholate drug combination | [no description available] | medium | 1 | 0 | | |
cisatracurium | [no description available] | medium | 7 | 4 | diester; quaternary ammonium ion | muscle relaxant; nicotinic antagonist |
trp-lys-tyr-met-val-met | [no description available] | medium | 1 | 0 | | |
chloroform | [no description available] | medium | 15 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
decamethonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | muscle relaxant; nicotinic acetylcholine receptor agonist |
arsenic acid | [no description available] | medium | 1 | 0 | arsenic oxoacid | Escherichia coli metabolite |
arsphenamine | [no description available] | medium | 2 | 0 | | |
tetraphenylborate | [no description available] | medium | 2 | 0 | | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 24 | 0 | pyrrolidin-2-ones | |
propylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
alkenes | [no description available] | medium | 2 | 0 | | |
nikethamide | [no description available] | medium | 4 | 0 | pyridinecarboxamide | |
indole | [no description available] | medium | 5 | 0 | indole; polycyclic heteroarene | Escherichia coli metabolite |
curarine | [no description available] | medium | 1 | 0 | | |
veratrine | [no description available] | medium | 35 | 0 | alkaloid | |
sodium thiocyanate | [no description available] | medium | 5 | 0 | organic sodium salt | |
allyl formate | [no description available] | medium | 1 | 0 | | |
adrenochrome | [no description available] | medium | 11 | 0 | indoles | |
sodium acetate, anhydrous | [no description available] | medium | 2 | 0 | organic sodium salt | NMR chemical shift reference compound |
barbituric acid | [no description available] | medium | 3 | 0 | barbiturates | allergen; xenobiotic |
methantheline | [no description available] | medium | 5 | 0 | xanthenes | |
1,10-diaminodecane | [no description available] | medium | 1 | 0 | | |
octylamine | [no description available] | medium | 3 | 0 | primary aliphatic amine | metabolite |
lobeline | [no description available] | medium | 9 | 0 | | |
mechlorethamine | [no description available] | medium | 8 | 0 | nitrogen mustard; organochlorine compound | alkylating agent |
betazole | [no description available] | medium | 32 | 1 | primary amino compound; pyrazoles | diagnostic agent; gastrointestinal drug; histamine agonist |
ethionine | [no description available] | medium | 3 | 0 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
protoverin | [no description available] | medium | 2 | 0 | | |
sulfathiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
carbon disulfide | [no description available] | medium | 2 | 0 | one-carbon compound; organosulfur compound | |
acridines | [no description available] | medium | 10 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
cyclopentane | [no description available] | medium | 15 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
2-isopropylaminoethanol | [no description available] | medium | 2 | 0 | | |
methyl salicylate | [no description available] | medium | 11 | 0 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
methyl salicylate | [no description available] | medium | 11 | 3 | benzoate ester; methyl ester; salicylates | flavouring agent; insect attractant; metabolite |
butyramide | [no description available] | medium | 1 | 0 | butanamides; primary fatty amide | |
diphenyl | [no description available] | medium | 2 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
sodium salicylate | [no description available] | medium | 19 | 0 | organic molecular entity | |
iodine | [no description available] | medium | 15 | 0 | halide anion; monoatomic iodine | human metabolite |
am 49 | [no description available] | medium | 1 | 0 | | |
3-methylcholanthrene | [no description available] | medium | 9 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
ergothioneine | [no description available] | medium | 4 | 0 | 1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid | antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite |
ammonium chloride | [no description available] | medium | 12 | 1 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
vitamin u | [no description available] | medium | 2 | 0 | methyl-L-methionine; sulfonium betaine | |
5-hydroxyindole | [no description available] | medium | 2 | 0 | hydroxyindoles | human metabolite |
indoleacetic acid | [no description available] | medium | 13 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
kallidin | [no description available] | medium | 42 | 1 | peptide | |
azure a | [no description available] | medium | 2 | 0 | | |
tartaric acid | [no description available] | medium | 3 | 0 | tartaric acid | Escherichia coli metabolite |
2-bromolysergic acid diethylamide | [no description available] | medium | 2 | 0 | | |
mescaline | [no description available] | medium | 11 | 0 | methoxybenzenes; phenethylamine alkaloid; primary amino compound | hallucinogen |
guanosine | [no description available] | medium | 6 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
xanthosine | [no description available] | medium | 1 | 0 | purines D-ribonucleoside; xanthosines | Escherichia coli metabolite; human metabolite; mouse metabolite |
thallium | [no description available] | medium | 2 | 0 | boron group element atom | |
murexine | [no description available] | medium | 1 | 0 | | |
catechol | [no description available] | medium | 2 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
selenic acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
methylatropine | [no description available] | medium | 7 | 0 | | |
chloralose | [no description available] | medium | 14 | 0 | | |
benzo(c)phenanthrene | [no description available] | medium | 2 | 0 | benzenoid aromatic compound; ortho-fused polycyclic arene | |
tetrahydrodeoxycorticosterone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
congo red | [no description available] | medium | 4 | 0 | bis(azo) compound | |
1h-tetrazole | [no description available] | medium | 1 | 0 | one-carbon compound; tetrazole | |
malonic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
fluorescein | [no description available] | medium | 13 | 1 | 2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye | fluorescent dye; radioopaque medium |
allicin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; sulfoxide | antibacterial agent |
hydroxydione | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone | human xenobiotic metabolite |
radium | [no description available] | medium | 2 | 0 | alkaline earth metal atom | |
azides | [no description available] | medium | 12 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
nitrophenols | [no description available] | medium | 10 | 0 | | |
carbonic acid | [no description available] | medium | 1 | 0 | carbon oxoacid; chalcocarbonic acid | mouse metabolite |
pyrathiazine | [no description available] | medium | 2 | 0 | phenothiazines | |
beryllium | [no description available] | medium | 2 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
thiocyanate | [no description available] | medium | 3 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
poldine | [no description available] | medium | 2 | 0 | diarylmethane | |
propantheline | [no description available] | medium | 12 | 0 | xanthenes | |
5-hydroxytryptophan | [no description available] | medium | 60 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
4-hydroxyisophthalic acid | [no description available] | medium | 1 | 0 | | |
chromium | [no description available] | medium | 6 | 0 | chromium group element atom; metal allergen | micronutrient |
phthalic acid | [no description available] | medium | 1 | 0 | benzenedicarboxylic acid | human xenobiotic metabolite |
theobromine | [no description available] | medium | 7 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
1,1'-(4,4,7,7-tetramethyl-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-thiazole)-2-methylidene)quinolinium | [no description available] | medium | 2 | 0 | cyanine dye; organic iodide salt | fluorochrome |
muscarone | [no description available] | medium | 1 | 0 | | |
triphosphoric acid | [no description available] | medium | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
dimercaprol | [no description available] | medium | 4 | 0 | dithiol; primary alcohol | chelator |
trimethaphan camsylate | [no description available] | medium | 3 | 0 | | |
trimethaphan | [no description available] | medium | 8 | 0 | sulfonium compound | anaesthesia adjuvant; antihypertensive agent; nicotinic antagonist; vasodilator agent |
hexadimethrine bromide | [no description available] | medium | 2 | 0 | | |
lysergic acid | [no description available] | medium | 2 | 0 | | |
finalgon ointment | [no description available] | medium | 1 | 0 | | |
pempidine | [no description available] | medium | 6 | 0 | piperidines | |
dichloroisoproterenol | [no description available] | medium | 11 | 0 | | |
fludrocortisone | [no description available] | medium | 5 | 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 |
17-ketosteroids | [no description available] | medium | 9 | 0 | | |
alpha-chymotrypsin | [no description available] | medium | 31 | 0 | | |
azulene | [no description available] | medium | 2 | 0 | azulenes; mancude carbobicyclic parent; ortho-fused bicyclic arene | plant metabolite; volatile oil component |
neutral red | [no description available] | medium | 3 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
bulbocapnine | [no description available] | medium | 2 | 0 | aporphine alkaloid; aromatic ether; oxacycle; phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite |
chloropicrin | [no description available] | medium | 1 | 0 | C-nitro compound; one-carbon compound; organochlorine compound | antifungal agrochemical; fumigant insecticide; nematicide |
1-methylhistidine | [no description available] | medium | 2 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite |
n-pentyl nitrite | [no description available] | medium | 10 | 0 | nitrite esters | vasodilator agent |
citrulline | [no description available] | medium | 1 | 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 |
prethcamide | [no description available] | medium | 2 | 0 | | |
chlordiazepoxide | [no description available] | medium | 13 | 0 | benzodiazepine | |
hexobarbital | [no description available] | medium | 14 | 0 | barbiturates | |
1-methylimidazole | [no description available] | medium | 3 | 0 | imidazoles | |
arsenic trioxide | [no description available] | medium | 1 | 0 | | |
barium sulfate | [no description available] | medium | 11 | 1 | barium salt; inorganic barium salt; metal sulfate | radioopaque medium |
isoflurophate | [no description available] | medium | 11 | 0 | dialkyl phosphate | |
benactyzine | [no description available] | medium | 11 | 0 | diarylmethane | |
cystine | [no description available] | medium | 4 | 0 | | |
lumisantonin | [no description available] | medium | 1 | 0 | | |
santonin | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; santonin | plant metabolite |
bismuth | [no description available] | medium | 3 | 0 | metal atom; pnictogen | |
allantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
anthranilic acid | [no description available] | medium | 4 | 0 | aminobenzoic acid | human metabolite; mouse metabolite |
tetramethylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
mandelic acid | [no description available] | medium | 6 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
dihydroergotoxine | [no description available] | medium | 11 | 0 | | |
copper gluconate | [no description available] | medium | 11 | 0 | organic molecular entity | |
calcium gluconate | [no description available] | medium | 4 | 0 | calcium salt | nutraceutical |
ethybenztropine | [no description available] | medium | 1 | 0 | | |
pheniprazine | [no description available] | medium | 2 | 0 | amphetamines | |
chlorisondamine | [no description available] | medium | 14 | 0 | isoindoles | |
furaldehyde | [no description available] | medium | 1 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
carbonates | [no description available] | medium | 5 | 1 | carbon oxoanion | |
aminocaproic acid | [no description available] | medium | 8 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
eledoisin | [no description available] | medium | 51 | 0 | peptide | |
candicine | [no description available] | medium | 1 | 0 | primary amine | |
pentolinium tartrate | [no description available] | medium | 17 | 0 | tartrate salt | antihypertensive agent |
mipafox | [no description available] | medium | 1 | 0 | phosphoramide | |
aluminum | [no description available] | medium | 12 | 0 | boron group element atom; elemental aluminium; metal atom | |
angiotensin amide | [no description available] | medium | 7 | 0 | oligopeptide | |
trypan blue | [no description available] | medium | 21 | 0 | | |
oxyphenbutazone | [no description available] | medium | 9 | 0 | phenols; pyrazolidines | antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite |
vanillin | [no description available] | medium | 2 | 0 | benzaldehydes; monomethoxybenzene; phenols | anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite |
1-propanol | [no description available] | medium | 6 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
cantharidin | [no description available] | medium | 5 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
pronethalol | [no description available] | medium | 4 | 0 | naphthalenes | |
diethylstilbestrol | [no description available] | medium | 10 | 1 | 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 |
methiodal | [no description available] | medium | 1 | 0 | organosulfonic acid | |
diatrizoic acid | [no description available] | medium | 19 | 2 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
guanine | [no description available] | medium | 6 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
neoarsphenamine | [no description available] | medium | 1 | 0 | | |
chondroitin | [no description available] | medium | 11 | 0 | | |
iodopyracet | [no description available] | medium | 4 | 0 | | |
tin | [no description available] | medium | 2 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
syrosingopine | [no description available] | medium | 1 | 0 | yohimban alkaloid | |
tomatine | [no description available] | medium | 3 | 0 | | |
lysergamide | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
dibenzheptropine | [no description available] | medium | 1 | 0 | organic tricyclic compound | |
tetrabenazine | [no description available] | medium | 12 | 0 | benzoquinolizine; cyclic ketone; tertiary amino compound | |
quinoline | [no description available] | medium | 1 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines | |
flavin-adenine dinucleotide | [no description available] | medium | 6 | 0 | flavin adenine dinucleotide; vitamin B2 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group |
cyromazine | [no description available] | medium | 1 | 0 | triamino-1,3,5-triazine | mouse metabolite; triazine insecticide |
pronarcon | [no description available] | medium | 1 | 0 | barbiturates | |
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 |
dibenzylchlorethamine | [no description available] | medium | 35 | 0 | | |
parathion | [no description available] | medium | 6 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
ubiquinone | [no description available] | medium | 4 | 0 | | |
cyclopentamine | [no description available] | medium | 1 | 0 | secondary amino compound | |
formiminoglutamic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; L-glutamic acid derivative | |
ribosylimidazole acetic acid | [no description available] | medium | 3 | 0 | 1-ribosylimidazole | |
meprobamate | [no description available] | medium | 11 | 0 | organic molecular entity | |
amylopectin | [no description available] | medium | 1 | 0 | | |
thymidine | [no description available] | medium | 47 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
pentaerythritol tetranitrate | [no description available] | medium | 1 | 0 | pentaerythritol nitrate | explosive; vasodilator agent |
rubidium | [no description available] | medium | 21 | 0 | alkali metal atom | |
veratramine | [no description available] | medium | 3 | 0 | piperidine alkaloid | |
sulfinpyrazone | [no description available] | medium | 3 | 0 | pyrazolidines; sulfoxide | uricosuric drug |
glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
metanephrine | [no description available] | medium | 2 | 0 | catecholamine | |
cinanserin | [no description available] | medium | 4 | 0 | aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound | anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
thorium dioxide | [no description available] | medium | 2 | 0 | thorium molecular entity | |
phenylacetic acid | [no description available] | medium | 2 | 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 |
chlorobutanol | [no description available] | medium | 1 | 0 | tertiary alcohol | |
gastrin i | [no description available] | medium | 5 | 0 | | |
kaolinite | [no description available] | medium | 18 | 0 | aluminosilicate mineral; mixture | antidiarrhoeal drug; excipient |
mephenoxalone | [no description available] | medium | 1 | 0 | methoxybenzenes | |
vanilmandelic acid | [no description available] | medium | 1 | 0 | | |
mofebutazone | [no description available] | medium | 1 | 0 | pyrazolidines | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
methylcellulose | [no description available] | medium | 8 | 0 | | |
benzyloxyamine | [no description available] | medium | 1 | 0 | | |
tropolone | [no description available] | medium | 2 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
pyrophosphate | [no description available] | medium | 2 | 0 | diphosphate ion | |
decylamine | [no description available] | medium | 2 | 0 | alkylamine | |
1,2,4-triazole | [no description available] | medium | 1 | 0 | 1,2,4-triazole | |
homarine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
oxophenarsine | [no description available] | medium | 1 | 0 | substituted aniline | |
diethylcarbamazine | [no description available] | medium | 25 | 0 | N-carbamoylpiperazine; N-methylpiperazine | |
testosterone propionate | [no description available] | medium | 2 | 0 | steroid ester | |
calcium thiosulfate | [no description available] | medium | 1 | 0 | | |
thiosulfates | [no description available] | medium | 8 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
silver nitrate | [no description available] | medium | 7 | 0 | inorganic nitrate salt; silver salt | astringent |
antimycin a | [no description available] | medium | 7 | 0 | amidobenzoic acid | |
diplacin | [no description available] | medium | 1 | 0 | | |
8-phenyltheophylline | [no description available] | medium | 10 | 0 | | |
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one | [no description available] | medium | 7 | 0 | oxadiazoloquinoxaline | EC 4.6.1.2 (guanylate cyclase) inhibitor |
bisindolylmaleimide i | [no description available] | medium | 17 | 0 | | |
isothiuronium | [no description available] | medium | 2 | 0 | | |
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan | [no description available] | medium | 2 | 0 | | |
cromakalim | [no description available] | medium | 30 | 1 | | |
peptide yy | [no description available] | medium | 8 | 1 | | |
bibp 3226 | [no description available] | medium | 1 | 0 | | |
neuropeptide y (18-36) | [no description available] | medium | 1 | 0 | | |
1-naphthol | [no description available] | medium | 1 | 0 | naphthol | genotoxin; human xenobiotic metabolite |
2-naphthol | [no description available] | medium | 5 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
sb 242084 | [no description available] | medium | 1 | 0 | | |
hypochlorous acid | [no description available] | medium | 6 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
chloramine | [no description available] | medium | 5 | 0 | halide | |
thymalfasin | [no description available] | medium | 1 | 0 | polypeptide | |
thymosin | [no description available] | medium | 4 | 0 | | |
dalteparin | [no description available] | medium | 1 | 0 | | |
lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
(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 | 1 | 0 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
chelerythrine | [no description available] | medium | 3 | 0 | benzophenanthridine alkaloid; organic cation | antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor |
ethylmaleimide | [no description available] | medium | 17 | 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 |
phorbol 12,13-dibutyrate | [no description available] | medium | 46 | 0 | butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone | |
phenylalanyl-leucyl-arginyl phenylalaninamide | [no description available] | medium | 4 | 0 | | |
myricetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
flavone | [no description available] | medium | 1 | 0 | flavones | metabolite; nematicide |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 7 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
bromfenac | [no description available] | medium | 1 | 0 | aromatic amino acid; benzophenones; organobromine compound; substituted aniline | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
8-bromocyclic gmp | [no description available] | medium | 12 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
shikonin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone | |
alkannin | [no description available] | medium | 2 | 0 | hydroxy-1,4-naphthoquinone | |
bamipine | [no description available] | medium | 1 | 0 | aromatic amine | |
nitrobenzene | [no description available] | medium | 2 | 0 | nitroarene; nitrobenzenes | |
tuaminoheptane | [no description available] | medium | 1 | 0 | alkylamine | |
terconazole | [no description available] | medium | 2 | 0 | 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine | |
sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
hematoxylin | [no description available] | medium | 2 | 0 | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
phosphorus radioisotopes | [no description available] | medium | 16 | 0 | | |
uf 021 | [no description available] | medium | 1 | 0 | isopropyl ester; ketone; prostaglandins Falpha | antiglaucoma drug; antihypertensive agent; prodrug |
9-(tetrahydro-2-furyl)-adenine | [no description available] | medium | 3 | 0 | | |
nisoxetine | [no description available] | medium | 2 | 0 | aromatic ether; secondary amino compound | adrenergic uptake inhibitor; antidepressant |
1,7-diaminoheptane | [no description available] | medium | 1 | 0 | | |
1,6-diaminohexane | [no description available] | medium | 2 | 0 | alkane-alpha,omega-diamine | human xenobiotic metabolite |
15-deoxyprostaglandin j2 | [no description available] | medium | 1 | 0 | | |
cyclopentenone | [no description available] | medium | 1 | 0 | alicyclic ketone; enone | Hsp70 inducer |
9-deoxy-delta-9-prostaglandin d2 | [no description available] | medium | 3 | 0 | prostaglandins J | human metabolite |
geranylgeranylacetone | [no description available] | medium | 2 | 0 | | |
pd 123319 | [no description available] | medium | 1 | 0 | imidazopyridine | angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent |
zd 7155 | [no description available] | medium | 1 | 0 | | |
tramazoline | [no description available] | medium | 1 | 0 | tetralins | |
gantacurium | [no description available] | medium | 2 | 0 | | |
hispidin | [no description available] | medium | 1 | 0 | 2-pyranones; catechols | antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite |
linsidomine | [no description available] | medium | 9 | 0 | morpholines | |
molsidomine | [no description available] | medium | 9 | 0 | ethyl ester; morpholines; oxadiazole; zwitterion | antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent |
cupric chloride | [no description available] | medium | 2 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
sb 220025 | [no description available] | medium | 1 | 0 | aminopyrimidine; imidazoles; organofluorine compound; piperidines | angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
pd 169316 | [no description available] | medium | 1 | 0 | imidazoles | |
1-ethyl-2-benzimidazolinone | [no description available] | medium | 3 | 0 | imidazoles | |
n,n-carbonyldiimidazole | [no description available] | medium | 1 | 0 | | |
8-isoprostaglandin e2 | [no description available] | medium | 1 | 0 | cyclic ketone; diol; prostanoid; secondary alcohol | bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent |
dinitrobenzenes | [no description available] | medium | 5 | 0 | | |
ioxaglate | [no description available] | medium | 4 | 2 | benzenedicarboxamide; benzoic acids; organoiodine compound | radioopaque medium |
fasudil | [no description available] | medium | 3 | 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 |
ucn 1028 c | [no description available] | medium | 9 | 0 | | |
alpha-terpineol | [no description available] | medium | 1 | 1 | terpineol | plant metabolite |
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 1 | 1 | terpineol; tertiary alcohol | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component |
eucalyptol | [no description available] | medium | 1 | 1 | | |
cyclohexanol | [no description available] | medium | 7 | 1 | cyclohexanols; secondary alcohol | solvent |
formal glycol | [no description available] | medium | 2 | 0 | cyclic acetal; dioxolane | |
maleic acid | [no description available] | medium | 6 | 0 | butenedioic acid | algal metabolite; mouse metabolite; plant metabolite |
methaphenilene | [no description available] | medium | 1 | 0 | benzenes | |
dihydroergocornine | [no description available] | medium | 1 | 0 | ergot alkaloid | |
carbazole | [no description available] | medium | 2 | 0 | carbazole | |
diphenylamine | [no description available] | medium | 2 | 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 |
acetamidine | [no description available] | medium | 1 | 0 | carboxamidine | |
furan | [no description available] | medium | 2 | 0 | furans; mancude organic heteromonocyclic parent; monocyclic heteroarene | carcinogenic agent; hepatotoxic agent; Maillard reaction product |
fumarates | [no description available] | medium | 4 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
caramiphen | [no description available] | medium | 1 | 0 | benzenes | |
quetiapine fumarate | [no description available] | medium | 1 | 0 | fumarate salt | |
gastrin 17 | [no description available] | medium | 18 | 0 | gastrin | antineoplastic agent |
chlorine | [no description available] | medium | 17 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
nefopam | [no description available] | medium | 1 | 0 | benzoxazocine; tertiary amino compound | |
gamma-linolenic acid | [no description available] | medium | 2 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
adamantane | [no description available] | medium | 6 | 0 | adamantanes; polycyclic alkane | |
u 37883a | [no description available] | medium | 4 | 0 | | |
5-carboxamidotryptamine | [no description available] | medium | 5 | 0 | tryptamines | |
formycins | [no description available] | medium | 1 | 0 | | |
formycin diphosphate | [no description available] | medium | 1 | 0 | | |
obidoxime chloride | [no description available] | medium | 1 | 0 | | |
pralidoxime | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator |
sarin | [no description available] | medium | 1 | 0 | fluorine molecular entity; phosphinic ester | |
proanthocyanidin | [no description available] | medium | 1 | 0 | | |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
fullerene c60 | [no description available] | medium | 3 | 0 | fullerene | geroprotector |
cyclin d1 | [no description available] | medium | 3 | 0 | | |
hydroxyguanidine | [no description available] | medium | 1 | 0 | guanidines; one-carbon compound | antineoplastic agent; antiviral agent |
vecuronium bromide | [no description available] | medium | 16 | 10 | organic bromide salt; quaternary ammonium salt | muscle relaxant; neuromuscular agent; nicotinic antagonist |
enflurane | [no description available] | medium | 5 | 1 | ether; organochlorine compound; organofluorine compound | anaesthetic |
inosine triphosphate | [no description available] | medium | 6 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
carmoterol | [no description available] | medium | 3 | 0 | | |
4-nitrophenylalanine | [no description available] | medium | 1 | 0 | C-nitro compound | |
ly 293558 | [no description available] | medium | 1 | 0 | | |
tryptophan tryptophylquinone | [no description available] | medium | 1 | 0 | | |
genistein | [no description available] | medium | 13 | 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 |
rtki cpd | [no description available] | medium | 3 | 0 | | |
plaunotol | [no description available] | medium | 1 | 0 | diterpenoid; primary alcohol | anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary |
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 |
7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole | [no description available] | medium | 1 | 0 | | |
glucagon-like peptide 1 | [no description available] | medium | 10 | 0 | | |
galantide | [no description available] | medium | 2 | 0 | | |
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | medium | 10 | 0 | methoxybenzenes | |
n-chlorotaurine | [no description available] | medium | 2 | 0 | | |
calpain | [no description available] | medium | 1 | 0 | | |
sulprostone | [no description available] | medium | 3 | 0 | prostanoid | |
2,5-di-tert-butylhydroquinone | [no description available] | medium | 3 | 0 | hydroquinones | |
methylene blue | [no description available] | medium | 40 | 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 |
ici 204,219 | [no description available] | medium | 7 | 3 | carbamate ester; indoles; N-sulfonylcarboxamide | anti-asthmatic agent; leukotriene antagonist |
l 663536 | [no description available] | medium | 6 | 1 | aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes | antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist |
galactosamine | [no description available] | medium | 6 | 0 | D-galactosamine; primary amino compound | toxin |
(3h)2-carbomethoxy-3-(4-fluorophenyl)tropane | [no description available] | medium | 1 | 0 | | |
gefarnate | [no description available] | medium | 1 | 0 | organic molecular entity | |
dibutyryl cyclic gmp | [no description available] | medium | 17 | 0 | | |
ns 2028 | [no description available] | medium | 1 | 0 | | |
lithium | [no description available] | medium | 45 | 0 | alkali metal atom | |
metastat | [no description available] | medium | 1 | 0 | | |
ginsenoside rb1 | [no description available] | medium | 2 | 0 | ginsenoside; glycoside; tetracyclic triterpenoid | anti-inflammatory drug; anti-obesity agent; apoptosis inhibitor; neuroprotective agent; plant metabolite; radical scavenger |
wortmannin | [no description available] | medium | 6 | 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 |
hypocrellin a | [no description available] | medium | 1 | 0 | | |
perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
5-methylfurtrethonium | [no description available] | medium | 3 | 0 | aralkylamine | |
oxymethacil | [no description available] | medium | 1 | 0 | | |
sodium cyanide | [no description available] | medium | 2 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
roxatidine acetate | [no description available] | medium | 5 | 0 | piperidines | |
4-phenylenediamine | [no description available] | medium | 3 | 0 | phenylenediamine | allergen; dye; hapten; reagent |
perftoran | [no description available] | medium | 1 | 0 | | |
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid | [no description available] | medium | 1 | 0 | monoterpenoid | |
cadmium chloride | [no description available] | medium | 2 | 1 | cadmium coordination entity | |
methanesulfonic acid | [no description available] | medium | 2 | 0 | alkanesulfonic acid; one-carbon compound | Escherichia coli metabolite |
gt 2331 | [no description available] | medium | 1 | 0 | | |
natriuretic peptide, c-type | [no description available] | medium | 3 | 0 | | |
atrial natriuretic factor (4-23)nh2, de-gln(18)-de-ser(19)-de-gly(20,22)-de-leu(21)- | [no description available] | medium | 2 | 0 | | |
ginkgolide a | [no description available] | medium | 1 | 1 | diterpene lactone | |
ginkgolide c | [no description available] | medium | 1 | 1 | | |
leupeptin | [no description available] | medium | 2 | 0 | aldehyde; tripeptide | bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor |
leupeptins | [no description available] | medium | 3 | 0 | | |
1,4-dihydropyridine | [no description available] | medium | 2 | 0 | | |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | medium | 1 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
nitric acid | [no description available] | medium | 2 | 0 | nitrogen oxoacid | protic solvent; reagent |
3-methylkaempferol | [no description available] | medium | 1 | 0 | monomethoxyflavone; trihydroxyflavone | plant metabolite |
xenon | [no description available] | medium | 24 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
n-cyano-n'-(1,1-dimethylpropyl)-n''-(3-pyridinyl)guanidine | [no description available] | medium | 1 | 0 | pyridines | |
pyrrophenone | [no description available] | medium | 1 | 0 | | |
n-methylpyrrolidone | [no description available] | medium | 1 | 0 | lactam; N-alkylpyrrolidine; pyrrolidin-2-ones | polar aprotic solvent |
fk 409 | [no description available] | medium | 3 | 0 | | |
nor 4 | [no description available] | medium | 1 | 0 | | |
1-ethyl-3-(3-dimethylaminoethyl)carbodiimide | [no description available] | medium | 1 | 0 | | |
ag 99 | [no description available] | medium | 1 | 0 | | |
su 5402 | [no description available] | medium | 1 | 0 | | |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 3 | 0 | | |
1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide methiodide | [no description available] | medium | 1 | 0 | | |
losartan potassium | [no description available] | medium | 9 | 2 | | |
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid | [no description available] | medium | 5 | 0 | arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde | purinergic receptor P2X antagonist |
progesterone 11-hemisuccinate, (11alpha)-isomer | [no description available] | medium | 1 | 0 | 20-oxo steroid; 3-oxo-Delta(4) steroid; dicarboxylic acid monoester; hemisuccinate; steroid ester | |
oxophenylarsine | [no description available] | medium | 2 | 0 | arsine oxides | antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
furegrelate | [no description available] | medium | 1 | 0 | benzofurans | |
petasin | [no description available] | medium | 1 | 1 | alicyclic ketone; enoate ester; enone; sesquiterpenoid | anti-allergic agent; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator; plant metabolite; vasodilator agent |
acrivastine | [no description available] | medium | 11 | 9 | alpha,beta-unsaturated monocarboxylic acid; N-alkylpyrrolidine; olefinic compound; pyridines | H1-receptor antagonist |
pipecuronium | [no description available] | medium | 3 | 2 | steroid ester | |
n-acetyltyrosine, (dl)-isomer | [no description available] | medium | 1 | 0 | N-acetyl-amino acid; phenols; tyrosine derivative | human urinary metabolite |
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 |
diphenyleneiodonium | [no description available] | medium | 3 | 0 | organic cation | |
marrubiin | [no description available] | medium | 1 | 0 | gamma-lactone | |
formazans | [no description available] | medium | 1 | 0 | | |
6-aminoquinolyl-n-hydroxysuccinimidyl carbamate | [no description available] | medium | 1 | 0 | | |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
clorgyline | [no description available] | medium | 7 | 0 | aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound | antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor |
5-hydroxydecanoate | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
hmr 1098 | [no description available] | medium | 1 | 0 | | |
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate | [no description available] | medium | 1 | 0 | C-nitro compound; spiroketal | antagonist |
pyrazolanthrone | [no description available] | medium | 2 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
lipoxin a4 | [no description available] | medium | 1 | 0 | hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid | human metabolite; metabolite |
butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanine | [no description available] | medium | 1 | 0 | | |
thiorphan | [no description available] | medium | 11 | 1 | N-acyl-amino acid | |
bifemelane | [no description available] | medium | 1 | 0 | diarylmethane | |
zm 241385 | [no description available] | medium | 3 | 0 | diamino-1,3,5-triazine | |
mrs 1523 | [no description available] | medium | 1 | 0 | | |
am 404 | [no description available] | medium | 1 | 0 | anilide | |
arachidonyl-2-chloroethylamide | [no description available] | medium | 1 | 0 | fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid | CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent |
2'-deoxytubercidin | [no description available] | medium | 1 | 0 | deoxyribonucleoside; N-glycosylpyrrolopyrimidine | |
tubercidin | [no description available] | medium | 2 | 0 | antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside | antimetabolite; antineoplastic agent; bacterial metabolite |
veratridine | [no description available] | medium | 10 | 0 | | |
sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
sultamicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | |
substance p | [no description available] | medium | 1 | 0 | | |
bw a868c | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | |
scopoletin | [no description available] | medium | 3 | 0 | hydroxycoumarin | plant growth regulator; plant metabolite |
cariporide | [no description available] | medium | 2 | 0 | | |
2-nitro-4-carboxyphenyl-n,n-diphenylcarbamate | [no description available] | medium | 4 | 0 | | |
n-benzyl-3-pyrrolidylacetate methobromide | [no description available] | medium | 2 | 0 | | |
nnc 38-1049 | [no description available] | medium | 1 | 0 | | |
dihydroalprenolol | [no description available] | medium | 13 | 0 | | |
epicatechin gallate | [no description available] | medium | 1 | 0 | catechin; gallate ester; polyphenol | EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite |
cgp 20712a | [no description available] | medium | 2 | 0 | | |
butoxamine | [no description available] | medium | 4 | 0 | | |
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride | [no description available] | medium | 7 | 0 | | |
adenosine diphosphate ribose | [no description available] | medium | 6 | 0 | ADP-sugar | Escherichia coli metabolite; mouse metabolite |
lithium chloride | [no description available] | medium | 10 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
thymosin beta(4) | [no description available] | medium | 1 | 0 | | |
dideoxyadenosine | [no description available] | medium | 3 | 0 | adenosines; purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor |
2',5'-dideoxyadenosine | [no description available] | medium | 3 | 0 | deoxyribonucleoside | |
4-(3,4-dibutoxybenzyl)-2-imidazolidinone | [no description available] | medium | 2 | 0 | | |
rhodamine 123 | [no description available] | medium | 3 | 0 | organic cation; xanthene dye | fluorochrome |
2,3-diphosphoglycerate | [no description available] | medium | 1 | 0 | bisphosphoglyceric acid; tetronic acid derivative | human metabolite |
8-bromoguanosino-3',5'-cyclic monophosphorothioate | [no description available] | medium | 1 | 0 | | |
ethoxyresorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
adenosine 5'-o-(3-thiotriphosphate) | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
coelenterazine | [no description available] | medium | 1 | 0 | | |
pyrazines | [no description available] | medium | 14 | 0 | diazine; pyrazines | Daphnia magna metabolite |
latrunculin a | [no description available] | medium | 1 | 0 | cyclic hemiketal; macrolide; oxabicycloalkane; thiazolidinone | actin polymerisation inhibitor; metabolite; toxin |
krn 7000 | [no description available] | medium | 1 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
8-aminohexylamino camp | [no description available] | medium | 1 | 0 | | |
lupitidine | [no description available] | medium | 2 | 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 |
miglustat | [no description available] | medium | 1 | 0 | piperidines; tertiary amino compound | anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
3-((3-trifluoromethyl)phenyl)-5-((3-carboxyphenyl)methylene)-2-thioxo-4-thiazolidinone | [no description available] | medium | 1 | 0 | | |
phorbol-12,13-diacetate | [no description available] | medium | 4 | 0 | | |
edelfosine | [no description available] | medium | 1 | 0 | glycerophosphocholine | |
1,6-bis(cyclohexyloximinocarbonyl)hexane | [no description available] | medium | 1 | 0 | carbamate ester; organonitrogen compound | |
d 609 | [no description available] | medium | 1 | 0 | | |
ferric chloride | [no description available] | medium | 1 | 0 | iron coordination entity | astringent; Lewis acid |
1-palmitoyl-2-(10-(4-((trifluoromethyl)diazirinyl)phenyl)-8-oxadecanoyl)-sn-glycero-3-phosphocholine | [no description available] | medium | 1 | 0 | | |
dodecyl sulfate | [no description available] | medium | 1 | 0 | alkyl sulfate | |
sc 236 | [no description available] | medium | 1 | 0 | | |
2-aminopurine | [no description available] | medium | 1 | 0 | 2-aminopurines; nucleobase analogue | antimetabolite |
omega-agatoxin iva | [no description available] | medium | 3 | 0 | | |
fluticasone propionate, salmeterol xinafoate drug combination | [no description available] | medium | 1 | 1 | | |
peptide phi | [no description available] | medium | 3 | 0 | | |
heliodermin | [no description available] | medium | 2 | 0 | | |
pustulan | [no description available] | medium | 1 | 0 | | |
scleroglucan | [no description available] | medium | 1 | 0 | oligosaccharide | |
curdlan | [no description available] | medium | 1 | 0 | hexose | |
laminaran | [no description available] | medium | 1 | 0 | | |
chromotrope 2r | [no description available] | medium | 1 | 0 | organic sodium salt | histological dye |
sodium tungstate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | reagent |
nantenine | [no description available] | medium | 2 | 0 | oxoaporphine alkaloid | metabolite |
hydromorphone | [no description available] | medium | 4 | 1 | morphinane alkaloid; organic heteropentacyclic compound | mu-opioid receptor agonist; opioid analgesic |
chloramine-t | [no description available] | medium | 2 | 0 | organic sodium salt | allergen; antifouling biocide; disinfectant |
dapi | [no description available] | medium | 1 | 0 | indoles | fluorochrome |
2-chloroethylamine | [no description available] | medium | 1 | 0 | | |
bromochloroacetic acid | [no description available] | medium | 9 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
t0156 | [no description available] | medium | 1 | 0 | naphthyridine derivative | |
flavin semiquinone | [no description available] | medium | 1 | 0 | | |
atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor; antidepressant |
bromodeoxyuridine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
ergoline | [no description available] | medium | 10 | 0 | diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound | |
helium | [no description available] | medium | 8 | 0 | monoatomic helium; noble gas atom; s-block element atom | food packaging gas |
puromycin | [no description available] | medium | 13 | 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 |
felypressin | [no description available] | medium | 3 | 0 | heterodetic cyclic peptide | vasoconstrictor agent; vasopressin receptor agonist |
krypton | [no description available] | medium | 5 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
methoxyflurane | [no description available] | medium | 10 | 0 | ether; organochlorine compound; organofluorine compound | hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic |
indican | [no description available] | medium | 2 | 0 | beta-D-glucoside; exopolysaccharide; indolyl carbohydrate | |
nalbuphine | [no description available] | medium | 4 | 1 | organic heteropentacyclic compound | mu-opioid receptor antagonist; opioid analgesic |
saralasin | [no description available] | medium | 5 | 0 | oligopeptide | |
deuterium oxide | [no description available] | medium | 5 | 0 | deuterated compound; water | NMR solvent |
quin2 | [no description available] | medium | 6 | 0 | | |
3-amino-2-methyl-8-phenylmethoxyimidazo(1,2-a)pyrazine | [no description available] | medium | 2 | 0 | | |
thenalidine | [no description available] | medium | 2 | 0 | dialkylarylamine; tertiary amino compound | |
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 2 | 0 | HPETE | human xenobiotic metabolite |
15-hydroxy-5,8,11,13-eicosatetraenoic acid | [no description available] | medium | 7 | 0 | | |
quifenadine | [no description available] | medium | 4 | 0 | diarylmethane | |
diazoline | [no description available] | medium | 2 | 0 | polymer | |
medroxalol | [no description available] | medium | 1 | 0 | salicylamides | |
kwd 2131 | [no description available] | medium | 4 | 3 | | |
enkephalin, leucine | [no description available] | medium | 42 | 0 | pentapeptide; peptide zwitterion | analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite |
isospaglumic acid | [no description available] | medium | 4 | 0 | dipeptide | human metabolite |
homocarnosine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid | human metabolite |
salmefamol | [no description available] | medium | 1 | 0 | | |
beta-aminoethyl isothiourea | [no description available] | medium | 16 | 0 | | |
methamilane methiodide | [no description available] | medium | 3 | 0 | | |
guanylyl imidodiphosphate | [no description available] | medium | 30 | 0 | nucleoside triphosphate analogue | |
aminopropionitrile | [no description available] | medium | 2 | 0 | aminopropionitrile | antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite |
dibenz(b,f)(1,4)oxazepine-10(11h)-carboxylic acid, 8-chloro-, 2-acetylhydrazide | [no description available] | medium | 5 | 0 | | |
ciramadol | [no description available] | medium | 1 | 0 | cyclohexanols | |
pentazocine | [no description available] | medium | 3 | 1 | benzazocine | |
dezocine | [no description available] | medium | 1 | 0 | phenols; primary amino compound | opioid analgesic |
angiotensin i | [no description available] | medium | 6 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
sodium thiosulfate | [no description available] | medium | 2 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
n-formylmethionine | [no description available] | medium | 3 | 0 | L-methionine derivative; N-formyl amino acid; proteinogenic amino acid | metabolite |
trichloroacetaldehyde | [no description available] | medium | 1 | 0 | aldehyde; organochlorine compound | mouse metabolite |
chloral hydrate | [no description available] | medium | 10 | 0 | aldehyde hydrate; ethanediol; organochlorine compound | general anaesthetic; mouse metabolite; sedative; xenobiotic |
benextramine | [no description available] | medium | 3 | 0 | | |
oxyntomodulin | [no description available] | medium | 17 | 0 | | |
tetragastrin | [no description available] | medium | 36 | 1 | peptidyl amide; tetrapeptide | anxiogenic; human metabolite |
adenylyl imidodiphosphate | [no description available] | medium | 2 | 0 | adenosine 5'-phosphate | |
st 91 | [no description available] | medium | 1 | 0 | substituted aniline | |
l 643441 | [no description available] | medium | 5 | 0 | | |
3,3'-dipentyl-2,2'-oxacarbocyanine | [no description available] | medium | 1 | 0 | benzoxazolium ion; cyanine dye | fluorochrome |
carbocyanines | [no description available] | medium | 6 | 0 | cyanine dye; organic iodide salt | fluorochrome |
sulmazole | [no description available] | medium | 6 | 0 | imidazopyridine; sulfoxide | adenosine A1 receptor antagonist; cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
butyrylcholine | [no description available] | medium | 2 | 0 | acylcholine | |
sk&f 93479 | [no description available] | medium | 8 | 0 | | |
azepexole | [no description available] | medium | 2 | 0 | | |
lm 24056 | [no description available] | medium | 4 | 0 | | |
gallopamil | [no description available] | medium | 26 | 2 | benzenes; organic amino compound | |
pentetic acid | [no description available] | medium | 7 | 0 | pentacarboxylic acid | copper chelator |
technetium | [no description available] | medium | 15 | 0 | manganese group element atom | |
erythritol | [no description available] | medium | 3 | 0 | butane-1,2,3,4-tetrol | antioxidant; human metabolite; plant metabolite |
racemetirosine | [no description available] | medium | 2 | 0 | | |
tartrazine | [no description available] | medium | 7 | 1 | | |
l-pyroglutamyl-l-histidyl-3,3-dimethylprolinamide | [no description available] | medium | 3 | 0 | | |
oxmetidine | [no description available] | medium | 5 | 0 | benzodioxoles; imidazoles; pyrimidone | anti-ulcer drug; H2-receptor antagonist |
dimethylamine | [no description available] | medium | 1 | 0 | methylamines; secondary aliphatic amine | metabolite |
sgb 1534 | [no description available] | medium | 1 | 0 | | |
bw-755c | [no description available] | medium | 15 | 0 | | |
n-methylscopolamine | [no description available] | medium | 3 | 0 | | |
monodansylcadaverine | [no description available] | medium | 2 | 0 | aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent |
aaptamine | [no description available] | medium | 1 | 0 | | |
tropodifene | [no description available] | medium | 2 | 0 | | |
palytoxin | [no description available] | medium | 1 | 0 | polyol | toxin |
dihydroteleocidin b | [no description available] | medium | 1 | 0 | | |
quazinone | [no description available] | medium | 2 | 0 | | |
5-methoxytryptamine | [no description available] | medium | 7 | 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 |
ru 31156 | [no description available] | medium | 1 | 0 | | |
methoxyhydroxyphenylglycol | [no description available] | medium | 5 | 0 | methoxybenzenes; phenols | |
betamethasone valerate | [no description available] | medium | 3 | 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 |
mast cell degranulating peptide | [no description available] | medium | 2 | 0 | | |
elliptinium | [no description available] | medium | 3 | 0 | carbazoles | |
trypsinogen | [no description available] | medium | 2 | 0 | | |
penicillanic acid | [no description available] | medium | 2 | 0 | penicillanic acids | |
nafcillin | [no description available] | medium | 2 | 1 | penicillin allergen; penicillin | antibacterial drug |
penicilloate | [no description available] | medium | 1 | 0 | | |
carbenicillin | [no description available] | medium | 2 | 0 | penicillin allergen; penicillin | antibacterial drug |
sodium nitrate | [no description available] | medium | 5 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
cremophor el | [no description available] | medium | 4 | 0 | | |
ceruletide | [no description available] | medium | 30 | 1 | oligopeptide | diagnostic agent; gastrointestinal drug |
lodoxamide ethyl | [no description available] | medium | 9 | 1 | | |
oxamic acid | [no description available] | medium | 12 | 1 | dicarboxylic acid monoamide | Escherichia coli metabolite |
d-ala(2),mephe(4),met(0)-ol-enkephalin | [no description available] | medium | 4 | 0 | | |
tioxamast | [no description available] | medium | 2 | 0 | | |
physalaemin | [no description available] | medium | 7 | 0 | | |
sarcosine methyl ester | [no description available] | medium | 1 | 0 | | |
glycine methyl ester | [no description available] | medium | 1 | 0 | glycinyl ester | metabolite |
neurotensin, trp(11)- | [no description available] | medium | 2 | 0 | | |
substance p, prolyl(2)-tryptophan(7,9)- | [no description available] | medium | 2 | 0 | | |
dexbrompheniramine | [no description available] | medium | 5 | 0 | brompheniramine | anti-allergic agent; H1-receptor antagonist |
bl 5255 | [no description available] | medium | 1 | 0 | | |
arachidonic acid 5-hydroperoxide | [no description available] | medium | 1 | 0 | HPETE | human xenobiotic metabolite |
homocysteic acid | [no description available] | medium | 3 | 0 | homocysteic acid | NMDA receptor agonist |
amberlite irc50 | [no description available] | medium | 2 | 0 | | |
ioxitalamic acid | [no description available] | medium | 2 | 0 | acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
inosine pranobex | [no description available] | medium | 1 | 0 | | |
lasalocid | [no description available] | medium | 5 | 0 | beta-hydroxy ketone; monocarboxylic acid; monohydroxybenzoic acid; oxanes; oxolanes; polyether antibiotic; secondary alcohol; tertiary alcohol | bacterial metabolite; coccidiostat; ionophore |
xylitol | [no description available] | medium | 4 | 0 | | |
cyclamic acid | [no description available] | medium | 1 | 0 | sulfamic acids | environmental contaminant; human xenobiotic metabolite |
picoprazole | [no description available] | medium | 4 | 0 | | |
15-keto-13,14-dihydroprostaglandin f2alpha | [no description available] | medium | 7 | 0 | ketone; prostaglandins Falpha | metabolite |
4-bromophenacyl bromide | [no description available] | medium | 4 | 0 | | |
hydroquinone | [no description available] | medium | 2 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
5'-adenylyl (beta,gamma-methylene)diphosphonate | [no description available] | medium | 3 | 0 | nucleoside triphosphate analogue | |
alpha-methylserotonin | [no description available] | medium | 2 | 0 | tryptamines | serotonergic agonist |
tuftsin | [no description available] | medium | 9 | 0 | peptide | |
bufotenin | [no description available] | medium | 3 | 0 | tertiary amine; tryptamine alkaloid | coral metabolite; hallucinogen |
3'-o-(3-(n-(4-azido-2-nitrophenyl)amino)propionyl)adenosine-5'-triphosphate | [no description available] | medium | 2 | 0 | | |
oligomycins | [no description available] | medium | 9 | 0 | | |
anisodamine | [no description available] | medium | 4 | 0 | | |
fanetizole | [no description available] | medium | 1 | 0 | | |
ibudilast | [no description available] | medium | 5 | 1 | pyrazolopyridine | |
technetium tc 99m medronate | [no description available] | medium | 1 | 0 | | |
wb 4101 | [no description available] | medium | 1 | 0 | aromatic ether; benzodioxine; secondary amino compound | alpha-adrenergic antagonist |
nordimaprit | [no description available] | medium | 3 | 0 | | |
6-ethyl-3-(1h-tetrazol-5-yl)chromone | [no description available] | medium | 3 | 0 | | |
4-chloromercuribenzenesulfonate | [no description available] | medium | 4 | 0 | arenesulfonic acid; arylmercury compound | |
pentostatin | [no description available] | medium | 2 | 0 | coformycins | antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor |
6-ketoprostaglandin e1 | [no description available] | medium | 1 | 0 | prostaglandins E | metabolite; platelet aggregation inhibitor |
lithium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; lithium salt | antimanic drug |
5,6-dihydroprostacyclin | [no description available] | medium | 1 | 0 | | |
5-methyltetrahydrohomofolic acid | [no description available] | medium | 1 | 0 | | |
n,n-dimethyltryptamine | [no description available] | medium | 1 | 0 | tryptamine alkaloid; tryptamines | |
rmi 12330a | [no description available] | medium | 2 | 0 | | |
leukotriene a4 | [no description available] | medium | 2 | 0 | epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid | human metabolite; mouse metabolite; plant metabolite |
nalorphine | [no description available] | medium | 6 | 0 | morphinane alkaloid | |
phorbols | [no description available] | medium | 8 | 0 | diterpene; terpenoid fundamental parent | |
hydroxybenzylpindolol | [no description available] | medium | 1 | 0 | | |
trimethyloxonium | [no description available] | medium | 1 | 0 | | |
iodohydroxybenzylpindolol | [no description available] | medium | 1 | 0 | | |
8-((4-chlorophenyl)thio)cyclic-3',5'-amp | [no description available] | medium | 3 | 0 | 3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound | protein kinase agonist |
9-hydroxy-11,15-dioxo-2,3,18,19-tetranorprost-5-ene-1,20-dioic acid | [no description available] | medium | 6 | 0 | | |
su 10603 | [no description available] | medium | 1 | 0 | | |
leukotriene c-3 | [no description available] | medium | 1 | 0 | | |
4,4'-diphenylmethane diisocyanate | [no description available] | medium | 2 | 0 | diisocyanate | allergen; hapten |
rosin | [no description available] | medium | 4 | 0 | | |
guanosine monophosphate | [no description available] | medium | 2 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | biomarker; Escherichia coli metabolite; metabolite; mouse metabolite |
5'-guanylylmethylenebisphosphonate | [no description available] | medium | 1 | 0 | nucleoside triphosphate analogue | |
iothalamate meglumine | [no description available] | medium | 2 | 0 | amidobenzoic acid | |
nolinium bromide | [no description available] | medium | 2 | 0 | | |
timoprazole | [no description available] | medium | 4 | 0 | | |
u 44069 | [no description available] | medium | 12 | 0 | prostanoid | |
sodium pertechnetate tc 99m | [no description available] | medium | 5 | 0 | | |
hirudin | [no description available] | medium | 5 | 0 | | |
w 7 | [no description available] | medium | 9 | 0 | | |
methyltestosterone | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone | anabolic agent; androgen; antineoplastic agent |
lamtidine | [no description available] | medium | 3 | 0 | aromatic amine | |
ici 63197 | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
cholecystokinin 39 | [no description available] | medium | 1 | 0 | | |
talipexole | [no description available] | medium | 2 | 0 | azepine | |
inositol 1-phosphate | [no description available] | medium | 8 | 0 | | |
d 2343 | [no description available] | medium | 1 | 0 | | |
vesnarinone | [no description available] | medium | 3 | 0 | organic molecular entity | |
methylprednisolone hemisuccinate | [no description available] | medium | 5 | 2 | corticosteroid hormone; hemisuccinate | |
1-0-octadecyl 2-0-acetyl sn-glycero-3-phosphorylcholine | [no description available] | medium | 1 | 0 | | |
sodium nitrite | [no description available] | medium | 14 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
tiletamine | [no description available] | medium | 1 | 0 | aralkylamine | |
cv 3988 | [no description available] | medium | 15 | 0 | | |
16,16-dimethylprostaglandin e2 | [no description available] | medium | 9 | 0 | cyclopentanones; monocarboxylic acid; prostanoid; secondary allylic alcohol | anti-ulcer drug; gastrointestinal drug; radiation protective agent |
ethyl acetimidate | [no description available] | medium | 1 | 0 | | |
pirmagrel | [no description available] | medium | 1 | 0 | | |
sq 80338 | [no description available] | medium | 2 | 0 | | |
enkephalin, leucine-2-alanine | [no description available] | medium | 6 | 0 | | |
meciadanol | [no description available] | medium | 3 | 0 | | |
n,n-di-n-propyldopamine | [no description available] | medium | 1 | 0 | catecholamine | |
phenylpropanolamine | [no description available] | medium | 7 | 4 | amphetamines; phenethylamine alkaloid | plant metabolite |
enkephalin, alanh2(5)- | [no description available] | medium | 1 | 0 | | |
mannosamine | [no description available] | medium | 1 | 0 | D-mannosamine | |
l 640035 | [no description available] | medium | 1 | 0 | | |
lentinan | [no description available] | medium | 2 | 1 | | |
9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 3 | 0 | ortho-fused polycyclic arene; tetraphenes | carcinogenic agent |
ozagrel | [no description available] | medium | 19 | 1 | cinnamic acids | |
2-methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid | [no description available] | medium | 2 | 0 | | |
prostaglandin h2 | [no description available] | medium | 6 | 0 | olefinic compound; oxylipin; prostaglandins H; secondary alcohol | mouse metabolite |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
erabutoxin b | [no description available] | medium | 2 | 0 | | |
13,14-dihydroprostaglandin f2alpha | [no description available] | medium | 1 | 0 | | |
diazobenzenesulfonic acid | [no description available] | medium | 2 | 0 | | |
rociverine | [no description available] | medium | 2 | 0 | | |
nisoldipine | [no description available] | medium | 2 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
metabisulfite | [no description available] | medium | 1 | 0 | sulfur oxide; sulfur oxoanion | |
methionine sulfoximine | [no description available] | medium | 5 | 0 | methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide | |
s-adenosylhomocysteine | [no description available] | medium | 6 | 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 |
triiodothyronine | [no description available] | medium | 3 | 0 | tetrahydrothiophenes; thiolactone | human metabolite |
pentoxyl | [no description available] | medium | 1 | 0 | pyrimidone | |
2,2'-dithiobis(n-2-hydroxypropylbenzamide) | [no description available] | medium | 1 | 0 | | |
phenylbenzoquinone | [no description available] | medium | 2 | 0 | | |
15-keto-13,14-dihydroprostaglandin e2 | [no description available] | medium | 1 | 0 | prostaglandins E | |
tetrabromophenolphthalein ethyl ester | [no description available] | medium | 1 | 0 | | |
diatrizoate meglumine | [no description available] | medium | 9 | 2 | monocarboxylic acid anion | radioopaque medium |
urografin 76 | [no description available] | medium | 3 | 2 | | |
cetraxate | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid | |
irsogladine | [no description available] | medium | 2 | 0 | dichlorobenzene | |
troxerutin | [no description available] | medium | 2 | 0 | | |
mexiprostil | [no description available] | medium | 1 | 0 | | |
methylnitronitrosoguanidine | [no description available] | medium | 5 | 0 | nitroso compound | alkylating agent |
mequitazine | [no description available] | medium | 7 | 0 | phenothiazines | |
thromboxane a2, carbocyclic | [no description available] | medium | 1 | 0 | | |
sodium azide | [no description available] | medium | 3 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
glaucine | [no description available] | medium | 2 | 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 |
technetium tc 99m sulfur colloid | [no description available] | medium | 1 | 0 | | |
xenon radioisotopes | [no description available] | medium | 16 | 0 | | |
calcium oxalate | [no description available] | medium | 1 | 0 | organic calcium salt | |
octylonium | [no description available] | medium | 1 | 0 | benzamides | |
furtrethonium | [no description available] | medium | 1 | 0 | aralkylamine | |
dilazep | [no description available] | medium | 3 | 0 | benzoate ester; diazepane; diester; methoxybenzenes | cardioprotective agent; platelet aggregation inhibitor; vasodilator agent |
vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(o- methyl-l-tyrosine)-8-l-arginine- | [no description available] | medium | 1 | 0 | | |
diphemanil methylsulfate | [no description available] | medium | 1 | 1 | piperidines; quaternary ammonium salt | bronchodilator agent; muscarinic antagonist; parasympatholytic |
5-hydroxy-6,8,11,14-eicosatetraenoic acid | [no description available] | medium | 6 | 0 | HETE | human metabolite; mouse metabolite |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
2-(2-methyl-4-chlorophenylamino)-2-imidazoline | [no description available] | medium | 1 | 0 | | |
praseodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
ytterbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
cholinophyllin | [no description available] | medium | 1 | 1 | | |
thymopoietin iii | [no description available] | medium | 1 | 0 | | |
cimoxatone | [no description available] | medium | 1 | 0 | | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
bufrolin | [no description available] | medium | 1 | 1 | | |
9a-12a-octadecadiynoic acid | [no description available] | medium | 1 | 0 | octadecadiynoic acid | |
unithiol | [no description available] | medium | 2 | 0 | | |
phenyl biguanide | [no description available] | medium | 11 | 0 | guanidines | central nervous system drug |
biguanides | [no description available] | medium | 20 | 0 | guanidines | |
vanilmandelic acid | [no description available] | medium | 17 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
echothiophate iodide | [no description available] | medium | 1 | 0 | iodide salt; quaternary ammonium salt | antiglaucoma drug; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
sq 26536 | [no description available] | medium | 1 | 0 | | |
trimethoprim, sulfamethoxazole drug combination | [no description available] | medium | 1 | 0 | | |
phenidone | [no description available] | medium | 4 | 0 | | |
glycocholic acid | [no description available] | medium | 7 | 0 | bile acid glycine conjugate | human metabolite |
kyotorphin | [no description available] | medium | 2 | 0 | dipeptide | |
neo-kyotorphin | [no description available] | medium | 2 | 0 | | |
mesudipine | [no description available] | medium | 1 | 0 | | |
tyloxapol | [no description available] | medium | 1 | 0 | | |
brocresine | [no description available] | medium | 8 | 0 | | |
12-hydroxy-5,8,10,14-eicosatetraenoic acid | [no description available] | medium | 7 | 0 | | |
troleandomycin | [no description available] | medium | 1 | 0 | acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic |
erythromycin estolate | [no description available] | medium | 2 | 0 | aminoglycoside sulfate salt; erythromycin derivative | enzyme inhibitor |
citrate phosphate dextrose | [no description available] | medium | 1 | 0 | | |
cholestyramine resin | [no description available] | medium | 2 | 0 | | |
cysteamine-s-phosphate | [no description available] | medium | 1 | 0 | organic phosphorothioate anion | |
mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
melitten | [no description available] | medium | 11 | 0 | | |
dermorphin | [no description available] | medium | 1 | 0 | oligopeptide | |
2-aminothiazoline | [no description available] | medium | 1 | 0 | 1,3-thiazoles; primary amino compound | |
iodoacetic acid | [no description available] | medium | 3 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
puromycin aminonucleoside | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside; adenosines | |
1,6-hexamethylene diisocyanate | [no description available] | medium | 1 | 0 | diisocyanate | allergen; hapten |
caffeine, sodium benzoate drug combination | [no description available] | medium | 1 | 0 | | |
triamterene | [no description available] | medium | 4 | 0 | pteridines | diuretic; sodium channel blocker |
hydrochlorothiazide-triamterene | [no description available] | medium | 1 | 0 | | |
bencyclane | [no description available] | medium | 1 | 0 | benzenes | |
dithionitrobenzoic acid | [no description available] | medium | 3 | 0 | nitrobenzoic acid; organic disulfide | indicator |
vasotocin | [no description available] | medium | 6 | 0 | | |
adeturon | [no description available] | medium | 1 | 0 | | |
hemicholinium 3 | [no description available] | medium | 8 | 0 | | |
dexamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antidepressant |
tetramisole | [no description available] | medium | 1 | 0 | imidazothiazole | environmental contaminant; xenobiotic |
strontium radioisotopes | [no description available] | medium | 5 | 0 | | |
n-acetylcarnosine | [no description available] | medium | 2 | 0 | dipeptide | metabolite |
dehydroascorbic acid | [no description available] | medium | 2 | 0 | dehydroascorbic acid; vitamin C | coenzyme; mouse metabolite |
nitroblue tetrazolium | [no description available] | medium | 4 | 0 | organic cation | |
ricinoleic acid | [no description available] | medium | 2 | 0 | (9Z)-12-hydroxyoctadec-9-enoic acid | |
genipin | [no description available] | medium | 1 | 0 | iridoid monoterpenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor |
norgestrel | [no description available] | medium | 2 | 0 | | |
bromthymol blue | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone | acid-base indicator; dye; two-colour indicator |
11-hydroxy-5,8,12,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
4-(isopropylamino)-2-(2-pyridyl)-2-phenylbutyramide | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
pyridoxal | [no description available] | medium | 5 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
ganglerone | [no description available] | medium | 1 | 0 | | |
3-hydroxybutyric acid | [no description available] | medium | 2 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
2-hydroxybutyric acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; hydroxybutyric acid | algal metabolite; human metabolite |
clofibrate | [no description available] | medium | 2 | 0 | aromatic ether; ethyl ester; monochlorobenzenes | anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist |
isovaleric acid | [no description available] | medium | 1 | 0 | branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid | mammalian metabolite; plant metabolite |
valerates | [no description available] | medium | 3 | 0 | short-chain fatty acid anion; straight-chain saturated fatty acid anion | plant metabolite |
methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
4-amino-5-hexynoic acid | [no description available] | medium | 1 | 0 | | |
sodium taurodeoxycholate | [no description available] | medium | 2 | 0 | bile acid taurine conjugate | human metabolite |
16,16-dimethylprostaglandin e | [no description available] | medium | 4 | 0 | prostanoid | |
angiotensin ii, sar(1)-ile(5)- | [no description available] | medium | 1 | 0 | | |
reproterol | [no description available] | medium | 3 | 0 | oxopurine | |
hexobendine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
cepharanthine | [no description available] | medium | 3 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
u 0521 | [no description available] | medium | 2 | 0 | acetophenones | |
brij-58 | [no description available] | medium | 1 | 0 | | |
cl 115574 | [no description available] | medium | 1 | 0 | | |
pentacaine | [no description available] | medium | 3 | 0 | | |
heptacaine | [no description available] | medium | 1 | 0 | | |
dimethylhydrazines | [no description available] | medium | 3 | 0 | | |
bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
chlorphenamidine | [no description available] | medium | 1 | 0 | | |
lewis x antigen | [no description available] | medium | 1 | 0 | | |
aluminum fluoride | [no description available] | medium | 5 | 0 | aluminium coordination entity | |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 19 | 0 | | |
leminoprazole | [no description available] | medium | 2 | 0 | | |
isbufylline | [no description available] | medium | 1 | 0 | | |
sdz mks 492 | [no description available] | medium | 2 | 0 | | |
cp 96345 | [no description available] | medium | 10 | 0 | | |
phosphatidylethanol | [no description available] | medium | 1 | 0 | | |
ds 4574 | [no description available] | medium | 4 | 0 | | |
cellulose sulfate | [no description available] | medium | 2 | 0 | ether; flavonoids | |
temelastine | [no description available] | medium | 8 | 1 | pyrimidone | |
methiothepin | [no description available] | medium | 2 | 0 | aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound | antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist |
hirudin | [no description available] | medium | 1 | 0 | | |
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 |
erythrosine | [no description available] | medium | 2 | 0 | | |
acetylshikonin | [no description available] | medium | 1 | 0 | | |
5,6-epoxy-8,11,14-eicosatrienoic acid | [no description available] | medium | 3 | 0 | EET | mouse metabolite |
8,11,14-eicosatrienoic acid | [no description available] | medium | 8 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
beta-naphthoflavone | [no description available] | medium | 2 | 0 | extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
sr 48968 | [no description available] | medium | 10 | 0 | | |
sr 48692 | [no description available] | medium | 2 | 0 | N-acyl-amino acid | |
zinc carbonate | [no description available] | medium | 1 | 0 | organooxygen compound | |
zatebradine | [no description available] | medium | 2 | 1 | benzazepine | |
sr 140333 | [no description available] | medium | 7 | 0 | | |
inositol-1,3,4,5-tetrakisphosphate | [no description available] | medium | 7 | 0 | inositol phosphate | |
tert-butylhydroperoxide | [no description available] | medium | 1 | 0 | alkyl hydroperoxide | antibacterial agent; oxidising agent |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 1 | 1 | tetrachlorophenol | xenobiotic metabolite |
2,4,5-trichlorophenol | [no description available] | medium | 1 | 1 | trichlorophenol | |
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 | |
propanidid | [no description available] | medium | 17 | 2 | methoxybenzenes | |
afdx 116 | [no description available] | medium | 9 | 0 | benzodiazepine | |
hexahydrosiladifenidol | [no description available] | medium | 2 | 0 | | |
ml 9 | [no description available] | medium | 3 | 0 | | |
n-(2-chloroethyl)-4-piperidinyl diphenylacetate | [no description available] | medium | 5 | 0 | | |
methoctramine | [no description available] | medium | 5 | 0 | hydrochloride | muscarinic antagonist |
acetylsalicylic acid lysinate | [no description available] | medium | 5 | 4 | | |
foropafant | [no description available] | medium | 1 | 0 | | |
setipafant | [no description available] | medium | 1 | 0 | | |
technetium tc 99m gluceptate | [no description available] | medium | 1 | 0 | | |
imidazoleacetic acid ribotide | [no description available] | medium | 1 | 0 | imidazoles; monocarboxylic acid; N-glycosyl compound; ribose monophosphate | |
isradipine | [no description available] | medium | 2 | 0 | benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester | |
midaglizole | [no description available] | medium | 2 | 1 | | |
al 3264 | [no description available] | medium | 2 | 0 | | |
pyridinolcarbamate | [no description available] | medium | 6 | 0 | pyridines | |
loxtidine | [no description available] | medium | 11 | 0 | aromatic ether; piperidines; primary alcohol; triazoles | H2-receptor antagonist |
s 145 | [no description available] | medium | 6 | 0 | monoterpenoid | |
mezerein | [no description available] | medium | 2 | 0 | diterpenoid | |
methylprednisolone suleptanate | [no description available] | medium | 2 | 1 | organic sodium salt | anti-asthmatic drug; anti-inflammatory agent; glucocorticoid receptor agonist; prodrug |
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 |
cyclopropane | [no description available] | medium | 1 | 0 | cycloalkane; cyclopropanes | inhalation anaesthetic |
brimonidine tartrate | [no description available] | medium | 4 | 0 | | |
gr 89696 | [no description available] | medium | 1 | 0 | acetamides | |
buthionine sulfoximine | [no description available] | medium | 1 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
kn 93 | [no description available] | medium | 3 | 0 | monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound | EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector |
hesperidin methylchalcone | [no description available] | medium | 1 | 0 | | |
fk 888 | [no description available] | medium | 7 | 0 | peptide | |
substance p, sar(9)-met(o2)(11)- | [no description available] | medium | 3 | 0 | | |
neurokinin a(4-10) | [no description available] | medium | 3 | 0 | | |
inositol 2,4,5-trisphosphate | [no description available] | medium | 1 | 0 | | |
13-hydroxy-9,11-octadecadienoic acid | [no description available] | medium | 4 | 0 | octadecadienoic acid | |
ibotenic acid | [no description available] | medium | 6 | 0 | non-proteinogenic alpha-amino acid | neurotoxin |
big gastrin | [no description available] | medium | 2 | 0 | | |
anguibactin | [no description available] | medium | 1 | 0 | | |
mk 0591 | [no description available] | medium | 3 | 1 | | |
chenodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
aq-ra 741 | [no description available] | medium | 1 | 0 | benzodiazepine | |
glucagon-like peptide 1 (7-36)amide | [no description available] | medium | 3 | 0 | | |
ru-28362 | [no description available] | medium | 1 | 0 | | |
silver chloride | [no description available] | medium | 1 | 0 | inorganic chloride; silver salt | |
s-nitrosoglutathione | [no description available] | medium | 1 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
flunisolide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone | anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent |
1-oleoyl-2-acetylglycerol | [no description available] | medium | 5 | 0 | 1,2-diglyceride | |
vapiprost | [no description available] | medium | 4 | 0 | | |
exp3174 | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles; organochlorine compound | metabolite |
exenatide | [no description available] | medium | 1 | 0 | | |
exendin (9-39) | [no description available] | medium | 2 | 0 | | |
enprostil | [no description available] | medium | 9 | 2 | | |
4-diphenylacetoxy-1,1-dimethylpiperidinium | [no description available] | medium | 7 | 0 | quaternary ammonium ion | cholinergic antagonist; muscarinic antagonist |
rp 73401 | [no description available] | medium | 4 | 0 | aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide | anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor |
n-(2-(dimethylamino)ethyl)-n-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)benzenesulfonamide | [no description available] | medium | 1 | 0 | | |
anhydroecgonine methyl ester | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine | |
3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile | [no description available] | medium | 3 | 0 | | |
u-50488 | [no description available] | medium | 2 | 0 | dichlorobenzene; monocarboxylic acid amide; N-alkylpyrrolidine | analgesic; antitussive; calcium channel blocker; diuretic; kappa-opioid receptor agonist |
1-deoxyglucosamine | [no description available] | medium | 1 | 0 | | |
ci 988 | [no description available] | medium | 2 | 0 | | |
6-anilino-5,8-quinolinedione | [no description available] | medium | 2 | 0 | aminoquinoline; aromatic amine; p-quinones; quinolone | antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor |
ici 215001 | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
t 593 | [no description available] | medium | 4 | 0 | | |
candoxatril | [no description available] | medium | 1 | 1 | | |
ono 8809 | [no description available] | medium | 8 | 0 | | |
ono-nt 126 | [no description available] | medium | 7 | 0 | | |
bay x 1005 | [no description available] | medium | 1 | 0 | | |
u 74389f | [no description available] | medium | 1 | 0 | | |
1,2-dipalmitoyl-3-phosphatidylethanolamine | [no description available] | medium | 8 | 0 | | |
phosphocreatine | [no description available] | medium | 7 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
linoleic acid | [no description available] | medium | 5 | 1 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
s-(2-(n,n-diisopropylamino)ethyl)isothiourea | [no description available] | medium | 1 | 0 | | |
6-hydroxy-4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-ethanol | [no description available] | medium | 1 | 0 | | |
mar 99 | [no description available] | medium | 2 | 0 | | |
butyric acid | [no description available] | medium | 7 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
4-fluorohexahydrosiladifenidol | [no description available] | medium | 2 | 0 | | |
oxitropium | [no description available] | medium | 5 | 2 | | |
gadolinium dtpa | [no description available] | medium | 2 | 0 | gadolinium coordination entity | MRI contrast agent |
antibiotic g 418 | [no description available] | medium | 1 | 0 | | |
2'-hydroxy-5,9-dimethyl-2-allyl-6,7-benzomorphan | [no description available] | medium | 3 | 0 | | |
1,3-ditolylguanidine | [no description available] | medium | 1 | 0 | toluenes | |
phenazocine | [no description available] | medium | 4 | 0 | | |
lg 30435 | [no description available] | medium | 2 | 0 | | |
quisqualic acid | [no description available] | medium | 2 | 0 | non-proteinogenic alpha-amino acid | |
cisapride | [no description available] | medium | 1 | 0 | benzamides | |
vanadates | [no description available] | medium | 6 | 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 |
noberastine | [no description available] | medium | 2 | 1 | | |
buccalin | [no description available] | medium | 2 | 0 | | |
guanosine 5'-o-(2-thiodiphosphate) | [no description available] | medium | 4 | 0 | nucleoside diphosphate analogue | |
broxaterol | [no description available] | medium | 1 | 1 | | |
isoxazoles | [no description available] | medium | 5 | 1 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
zd 7114 | [no description available] | medium | 1 | 0 | | |
preclamol | [no description available] | medium | 1 | 0 | | |
alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
ici 198615 | [no description available] | medium | 2 | 0 | | |
indazoles | [no description available] | medium | 5 | 0 | indazole | |
pobilukast | [no description available] | medium | 7 | 1 | | |
wy 48252 | [no description available] | medium | 2 | 0 | | |
mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic; antineoplastic agent |
tosylarginine methyl ester | [no description available] | medium | 4 | 1 | guanidines; L-arginine ester; methyl ester; sulfonamide | |
bepafant | [no description available] | medium | 3 | 0 | | |
ro 31-7549 | [no description available] | medium | 2 | 0 | | |
magnolol | [no description available] | medium | 1 | 0 | biphenyls | |
cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles | antibacterial drug |
ici 192605 | [no description available] | medium | 2 | 1 | | |
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 |
kc 399 | [no description available] | medium | 1 | 0 | | |
mustard gas | [no description available] | medium | 1 | 0 | ethyl sulfide; organochlorine compound | alkylating agent; carcinogenic agent; vesicant |
spiroglumide | [no description available] | medium | 1 | 0 | | |
glucagon-like peptide 1 (7-36) | [no description available] | medium | 2 | 0 | | |
dicarbine | [no description available] | medium | 2 | 0 | | |
tocopheroxy radical | [no description available] | medium | 1 | 0 | tocopherol | |
nafazatrom | [no description available] | medium | 2 | 0 | | |
bromocriptine | [no description available] | medium | 6 | 0 | indole alkaloid | antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist |
salsolinol | [no description available] | medium | 1 | 0 | 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol | human urinary metabolite |
bismuth tripotassium dicitrate | [no description available] | medium | 1 | 0 | | |
granisetron | [no description available] | medium | 1 | 0 | aromatic amide; indazoles | |
br-x 537a | [no description available] | medium | 3 | 0 | | |
1-butyrylglycerol | [no description available] | medium | 1 | 0 | 1-monoglyceride; butyrate ester; diol; fatty acid ester | |
1-amino-1,3-dicarboxycyclopentane | [no description available] | medium | 3 | 0 | | |
cycloleucine | [no description available] | medium | 3 | 0 | non-proteinogenic alpha-amino acid | EC 2.5.1.6 (methionine adenosyltransferase) inhibitor |
l 651392 | [no description available] | medium | 1 | 0 | | |
3-amino-1,2,4-triazine | [no description available] | medium | 1 | 0 | | |
bw a1433u | [no description available] | medium | 1 | 0 | | |
ono 3708 | [no description available] | medium | 3 | 0 | | |
3,5-dibromo-2-(2,4-dibromophenoxy)phenol | [no description available] | medium | 1 | 0 | | |
furazolidone | [no description available] | medium | 2 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
2-((2-dimethylaminobenzyl)sulfinyl)benzimidazole | [no description available] | medium | 4 | 0 | | |
deferoxamine | [no description available] | medium | 2 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
leukotoxin | [no description available] | medium | 3 | 0 | | |
rs 5186 | [no description available] | medium | 1 | 0 | | |
omega-conotoxin (conus magus) | [no description available] | medium | 1 | 0 | | |
gr 117289 | [no description available] | medium | 1 | 0 | 1-benzofurans; biaryl; imidazolyl carboxylic acid; monocarboxylic acid; organobromine compound; organochlorine compound; tetrazoles | angiotensin receptor antagonist; antihypertensive agent |
diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
diacetylmonoxime | [no description available] | medium | 1 | 0 | | |
lucifer yellow | [no description available] | medium | 3 | 0 | organic lithium salt | fluorochrome |
sodium bicarbonate | [no description available] | medium | 4 | 1 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
pca 4248 | [no description available] | medium | 1 | 0 | dihydropyridine | |
brl 55834 | [no description available] | medium | 1 | 0 | | |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
mepivacaine | [no description available] | medium | 4 | 0 | piperidinecarboxamide | drug allergen; local anaesthetic |
5,5'-dimethyl-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetate | [no description available] | medium | 1 | 0 | polyamino carboxylic acid | chelator |
vasoactive intestinal peptide, 4-chloro-phe(6)-leu(17)- | [no description available] | medium | 1 | 0 | | |
inositol-1,3,4,6-tetrakisphosphate | [no description available] | medium | 2 | 0 | | |
inositol-3,4,5,6-tetrakisphosphate | [no description available] | medium | 1 | 0 | myo-inositol tetrakisphosphate | mouse metabolite |
ah 21-132 | [no description available] | medium | 2 | 0 | | |
trefentanil | [no description available] | medium | 1 | 1 | | |
beta-glucono-1,5-lactone | [no description available] | medium | 1 | 0 | aldono-1,5-lactone; gluconolactone | animal metabolite; mouse metabolite |
tetrandrine | [no description available] | medium | 3 | 0 | bisbenzylisoquinoline alkaloid; isoquinolines | |
promega | [no description available] | medium | 2 | 2 | | |
fk 1052 | [no description available] | medium | 1 | 0 | imidazoles; organic heterotricyclic compound | antiemetic; serotonergic antagonist |
deamino arginine vasopressin | [no description available] | medium | 5 | 1 | heterodetic cyclic peptide | diagnostic agent; renal agent; vasopressin receptor agonist |
bradykinin, des-arg(9)- | [no description available] | medium | 3 | 1 | oligopeptide | bradykinin receptor B2 agonist |
n(g)-aminoarginine | [no description available] | medium | 1 | 0 | arginine derivative | |
met-enkephalinamide | [no description available] | medium | 1 | 0 | | |
asialo gm1 ganglioside | [no description available] | medium | 1 | 0 | | |
kt2 962 | [no description available] | medium | 1 | 0 | | |
rabeprazole | [no description available] | medium | 4 | 0 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
sesamin | [no description available] | medium | 1 | 0 | benzodioxoles; furofuran; lignan | antineoplastic agent; neuroprotective agent; plant metabolite |
daidzein | [no description available] | medium | 2 | 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 |
st 271 | [no description available] | medium | 1 | 0 | | |
peroxynitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | |
bivalirudin | [no description available] | medium | 1 | 0 | polypeptide | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
thrombin receptor peptide (42-55) | [no description available] | medium | 2 | 0 | | |
4-bromo-a-23187 | [no description available] | medium | 2 | 0 | | |
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 |
ro 46-2005 | [no description available] | medium | 1 | 0 | | |
calyculin a | [no description available] | medium | 1 | 0 | | |
edrophonium | [no description available] | medium | 4 | 2 | phenols; quaternary ammonium ion | antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor |
hepes | [no description available] | medium | 6 | 0 | HEPES; organosulfonic acid | |
4-nitrophenylphosphate | [no description available] | medium | 1 | 0 | aryl phosphate | mouse metabolite |
methylnitrosourea | [no description available] | medium | 2 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
n-(ethoxycarbonylmethyl)-6-methoxyquinolinium | [no description available] | medium | 1 | 0 | | |
rilmakalim | [no description available] | medium | 2 | 0 | | |
fk 224 | [no description available] | medium | 4 | 0 | | |
nipradilol | [no description available] | medium | 1 | 0 | organic molecular entity | |
ranolazine | [no description available] | medium | 1 | 0 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
s 9977 | [no description available] | medium | 1 | 0 | | |
n(1)-acetylspermidine | [no description available] | medium | 1 | 0 | acetylspermidine | Escherichia coli metabolite; metabolite |
2-(nitrooxy)ethyl apovincaminate | [no description available] | medium | 1 | 0 | | |
diosmin | [no description available] | medium | 2 | 0 | dihydroxyflavanone; disaccharide derivative; glycosyloxyflavone; monomethoxyflavone; rutinoside | anti-inflammatory agent; antioxidant |
s 5682 | [no description available] | medium | 1 | 0 | | |
rmp 7 | [no description available] | medium | 1 | 0 | | |
tetramethylrhodamine isothiocyanate | [no description available] | medium | 1 | 0 | | |
tcv 309 | [no description available] | medium | 2 | 0 | | |
fr 139317 | [no description available] | medium | 2 | 0 | | |
pd 145065 | [no description available] | medium | 2 | 0 | | |
irl 1620 | [no description available] | medium | 1 | 0 | | |
pros-methylimidazoleacetic acid | [no description available] | medium | 4 | 0 | imidazolyl carboxylic acid | metabolite |
cellulase | [no description available] | medium | 1 | 0 | cellotriose | |
nip 121 | [no description available] | medium | 1 | 0 | | |
pristane | [no description available] | medium | 1 | 0 | long-chain alkane; norterpene | biomarker; immunological adjuvant |
malathion | [no description available] | medium | 4 | 0 | diester; ethyl ester; organic thiophosphate | |
lanthanum chloride | [no description available] | medium | 1 | 0 | | |
cp 80633 | [no description available] | medium | 1 | 0 | | |
sq 28603 | [no description available] | medium | 1 | 0 | | |
pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes | antineoplastic agent |
tetrazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
lazabemide | [no description available] | medium | 1 | 0 | | |
ro 41-1049 | [no description available] | medium | 1 | 0 | | |
lofentanil | [no description available] | medium | 1 | 0 | methyl ester; piperidines; tertiary amino compound; tertiary carboxamide | mu-opioid receptor agonist; opioid analgesic |
etorphine | [no description available] | medium | 1 | 0 | | |
diprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
norbinaltorphimine | [no description available] | medium | 2 | 0 | isoquinolines | |
dynorphins | [no description available] | medium | 1 | 0 | | |
amanitins | [no description available] | medium | 1 | 0 | | |
bimakalim | [no description available] | medium | 2 | 0 | | |
sdz pco 400 | [no description available] | medium | 1 | 0 | 1-benzopyran | |
y 26763 | [no description available] | medium | 1 | 0 | 1-benzopyran | |
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole | [no description available] | medium | 1 | 0 | benzoic acid; imidazolines; organic radical | apoptosis inhibitor; radical scavenger |
n(6),n(6)-dimethyladenine | [no description available] | medium | 1 | 0 | tertiary amine | |
peptide elongation factor 2 | [no description available] | medium | 2 | 0 | | |
n-methylephedrine | [no description available] | medium | 2 | 0 | amphetamines | |
ro 31-8425 | [no description available] | medium | 2 | 0 | | |
gizzerosine | [no description available] | medium | 2 | 0 | | |
velnacrine | [no description available] | medium | 1 | 0 | acridines | |
sta 2 | [no description available] | medium | 6 | 0 | | |
atrinositol | [no description available] | medium | 2 | 0 | | |
copper phthalocyanine | [no description available] | medium | 3 | 0 | | |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
small cardioactive peptide b | [no description available] | medium | 2 | 0 | | |
6-bromo-8-methylaminoimidazo(1,2-a)pyrazine-2-carbonitrile | [no description available] | medium | 1 | 0 | | |
mitragynine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid | |
sodium carbonate | [no description available] | medium | 1 | 1 | carbonate salt; organic sodium salt | |
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 |
inositol 1,4-bis(phosphate) | [no description available] | medium | 1 | 0 | | |
pervanadate | [no description available] | medium | 2 | 0 | | |
apaflurane | [no description available] | medium | 1 | 0 | | |
seglitide | [no description available] | medium | 1 | 0 | | |
indo-1 | [no description available] | medium | 3 | 0 | indoles | fluorochrome |
benzaldehyde | [no description available] | medium | 1 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite |
3,5-diethoxy-4-aminomethylpyridine | [no description available] | medium | 2 | 0 | | |
bay x 7195 | [no description available] | medium | 1 | 0 | | |
rutecarpine | [no description available] | medium | 1 | 0 | beta-carbolines | |
cdp 840 | [no description available] | medium | 1 | 1 | | |
hsr 609 | [no description available] | medium | 1 | 0 | | |
teroxirone | [no description available] | medium | 1 | 0 | | |
ebrotidine | [no description available] | medium | 1 | 0 | sulfonamide | |
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 | | |
arl-67156 | [no description available] | medium | 1 | 0 | | |
4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound; phenyl acetates | |
n-acetylaspartic acid | [no description available] | medium | 1 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol | [no description available] | medium | 1 | 0 | alkylbenzene; ring assembly | |
isoprene | [no description available] | medium | 2 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
diadenosine tetraphosphate | [no description available] | medium | 2 | 0 | diadenosyl tetraphosphate | Escherichia coli metabolite; mouse metabolite |
p(1),p(5)-di(adenosine-5'-)pentaphosphate | [no description available] | medium | 2 | 0 | organophosphate oxoanion | |
raffinose | [no description available] | medium | 1 | 0 | raffinose family oligosaccharide; trisaccharide | mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine | [no description available] | medium | 2 | 0 | | |
protopine | [no description available] | medium | 1 | 0 | dibenzazecine alkaloid | plant metabolite |
bpc 157 | [no description available] | medium | 1 | 0 | | |
benazepril | [no description available] | medium | 1 | 1 | benzazepine; dicarboxylic acid monoester; ethyl ester; lactam | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
t 440 | [no description available] | medium | 2 | 0 | | |
phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-arginyl-phenylalaninamide | [no description available] | medium | 1 | 0 | | |
pibutidine hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | anti-ulcer drug; H2-receptor antagonist |
sufotidine | [no description available] | medium | 2 | 0 | piperidines | |
tmk 688 | [no description available] | medium | 2 | 0 | | |
cytidine | [no description available] | medium | 1 | 0 | cytidines | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
3-iodobenzylguanidine | [no description available] | medium | 2 | 0 | organoiodine compound | |
2',3-dihydroxychalcone | [no description available] | medium | 1 | 0 | | |
2',5'-dihydroxychalcone | [no description available] | medium | 1 | 0 | chalcones | |
tetramethylenedisulfotetramine | [no description available] | medium | 1 | 0 | | |
1,3-dimethylthiourea | [no description available] | medium | 1 | 0 | | |
bupivacaine | [no description available] | medium | 6 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
plicatic acid | [no description available] | medium | 3 | 0 | lignan | |
methyl 2,5-dihydroxycinnamate | [no description available] | medium | 1 | 0 | cinnamate ester; hydroquinones; methyl ester | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; geroprotector; human urinary metabolite; plant metabolite |
azetirelin | [no description available] | medium | 1 | 0 | | |
dihydrofolate | [no description available] | medium | 1 | 0 | dihydrofolic acids | Escherichia coli metabolite; mouse metabolite |
calcium dobesilate | [no description available] | medium | 1 | 0 | | |
cicaprost | [no description available] | medium | 2 | 0 | monoterpenoid | |
ularitide | [no description available] | medium | 1 | 0 | | |
fructose-1,6-diphosphate | [no description available] | medium | 1 | 0 | | |
1,2-dioctanoylglycerol | [no description available] | medium | 2 | 0 | | |
geldanamycin | [no description available] | medium | 1 | 0 | | |
magnesium-pyridoxal-5'-phosphate glutamate | [no description available] | medium | 1 | 0 | | |
propidium | [no description available] | medium | 1 | 0 | phenanthridines; quaternary ammonium ion | fluorochrome; intercalator |
yf 476 | [no description available] | medium | 5 | 0 | | |
glycyltryptophan | [no description available] | medium | 1 | 0 | dipeptide | metabolite |
t 3762 | [no description available] | medium | 1 | 0 | | |
5-(n,n-hexamethylene)amiloride | [no description available] | medium | 1 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
fenspiride | [no description available] | medium | 1 | 0 | azaspiro compound | |
c.i. direct blue 1 | [no description available] | medium | 2 | 0 | | |
4-nitro-2-(3-phenylpropylamino)benzoate | [no description available] | medium | 1 | 0 | | |
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide | [no description available] | medium | 2 | 0 | isoquinolines; sulfonamide | |
7-ketocholesterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; 7-oxo steroid; cholestanoid | neuroprotective agent |
19-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholestanoid | |
bq 123 | [no description available] | medium | 3 | 0 | cyclic peptide | |
n-acetylputrescine | [no description available] | medium | 1 | 0 | N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine | metabolite; mouse metabolite |
batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide | angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor |
ro 31-9790 | [no description available] | medium | 1 | 0 | | |
diethylenetriamine | [no description available] | medium | 1 | 0 | polyazaalkane; triamine | |
5-(biotinamido)pentylamine | [no description available] | medium | 1 | 0 | | |
ecdysterone | [no description available] | medium | 1 | 0 | 14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid | animal metabolite; plant metabolite |
gramicidin a | [no description available] | medium | 3 | 0 | | |
9-anthroic acid | [no description available] | medium | 2 | 0 | anthroic acid | |
thymic factor, circulating | [no description available] | medium | 3 | 0 | | |
3-mercaptopropionic acid | [no description available] | medium | 3 | 0 | mercaptopropanoic acid | algal metabolite |
11,12-epoxy-5,8,14-eicosatrienoic acid | [no description available] | medium | 2 | 0 | 11,12-EET | human xenobiotic metabolite |
sodium iodide | [no description available] | medium | 1 | 0 | inorganic sodium salt; iodide salt | |
dithizone | [no description available] | medium | 1 | 0 | | |
5,8,11-eicosatriynoic acid | [no description available] | medium | 1 | 0 | acetylenic fatty acid; icosanoid; long-chain fatty acid; polyunsaturated fatty acid | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor |
p-dimethylaminoazobenzene | [no description available] | medium | 2 | 0 | azobenzenes | |
4-(n,n-dimethylaminoazobenzene)-4'-isothiocyanate | [no description available] | medium | 1 | 0 | | |
snx 230 | [no description available] | medium | 3 | 0 | | |
n-acetylleukotriene e4 | [no description available] | medium | 1 | 0 | leukotriene | human urinary metabolite |
dihydrosterculic acid | [no description available] | medium | 1 | 0 | | |
11-dehydro-thromboxane b2 | [no description available] | medium | 2 | 0 | thromboxane | human metabolite |
11-dehydro-thromboxane b2 | [no description available] | medium | 2 | 1 | thromboxane | human metabolite |
opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
bn 50739 | [no description available] | medium | 2 | 0 | | |
perilla ketone | [no description available] | medium | 1 | 0 | aromatic ketone | |
acid citrate dextrose | [no description available] | medium | 1 | 1 | | |
cilomilast | [no description available] | medium | 2 | 0 | methoxybenzenes | |
ah 6809 | [no description available] | medium | 1 | 0 | xanthones | |
1-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline | [no description available] | medium | 1 | 0 | | |
tyrphostin 25 | [no description available] | medium | 2 | 0 | benzenetriol | |
mezlocillin | [no description available] | medium | 1 | 0 | indolamine | |
palmitic acid | [no description available] | medium | 1 | 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 |
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid | [no description available] | medium | 1 | 0 | | |
u 78517f | [no description available] | medium | 1 | 0 | | |
pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
clonixin | [no description available] | medium | 1 | 0 | aminopyridine; organochlorine compound; pyridinemonocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent |
flunixin meglumine | [no description available] | medium | 1 | 0 | organoammonium salt | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
nafagrel | [no description available] | medium | 1 | 0 | | |
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine | [no description available] | medium | 1 | 0 | cyanine dye; indolium ion | fluorochrome |
gr 73632 | [no description available] | medium | 1 | 0 | | |
whi p154 | [no description available] | medium | 1 | 0 | | |
ecopipam | [no description available] | medium | 1 | 0 | benzazepine | |
uroguanylin | [no description available] | medium | 1 | 0 | | |
dithioerythritol | [no description available] | medium | 1 | 1 | 1,4-dimercaptobutane-2,3-diol | reducing agent |
ag-041r | [no description available] | medium | 1 | 0 | | |
1h-3-benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl- | [no description available] | medium | 1 | 0 | benzazepine | |
tenatoprazole | [no description available] | medium | 1 | 0 | imidazopyridine | |
arachidonyltrifluoromethane | [no description available] | medium | 2 | 0 | fatty acid derivative; ketone; olefinic compound; organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
zinc sulfate | [no description available] | medium | 6 | 0 | metal sulfate; zinc molecular entity | fertilizer |
sodium sulfate | [no description available] | medium | 2 | 0 | inorganic sodium salt | |
gt 2016 | [no description available] | medium | 2 | 0 | | |
isatin | [no description available] | medium | 3 | 0 | indoledione | EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
2-(2-benzofuranyl)-2-imidazoline | [no description available] | medium | 1 | 0 | benzofurans | |
bu 224 | [no description available] | medium | 1 | 0 | quinolines | |
rapacuronium | [no description available] | medium | 1 | 1 | steroid ester | |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
fluconazole | [no description available] | medium | 1 | 1 | conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug | environmental contaminant; P450 inhibitor; xenobiotic |
m 35 | [no description available] | medium | 2 | 0 | | |
5-(4-acetamidophenyl)pyrazin-2(1h)-one | [no description available] | medium | 3 | 0 | | |
calcium crimson | [no description available] | medium | 1 | 0 | ammonium betaine; sulfonamide | fluorochrome |
cresyl violet | [no description available] | medium | 1 | 0 | | |
methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent; antioxidant; plant metabolite |
ethyl gallate | [no description available] | medium | 1 | 0 | gallate ester | plant metabolite |
safranine t | [no description available] | medium | 4 | 0 | organic chloride salt | fluorochrome; histological dye |
xestospongin a | [no description available] | medium | 2 | 0 | | |
piperacillin | [no description available] | medium | 1 | 0 | | |
s6c sarafotoxin | [no description available] | medium | 4 | 0 | | |
bp 2-94 | [no description available] | medium | 1 | 0 | | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 9 | 0 | stilbenoid | |
dotarizine | [no description available] | medium | 1 | 0 | cyclic ketal; dioxolane; N-alkylpiperazine | calcium channel blocker; serotonergic antagonist; vasodilator agent |
1-(3-chlorophenyl)piperazine | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-arylpiperazine | drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic |
arginyl-glycyl-aspartyl-serine | [no description available] | medium | 1 | 0 | | |
rges peptide | [no description available] | medium | 1 | 0 | | |
tetrabromophthalic anhydride | [no description available] | medium | 1 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | |
fg 9041 | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
lead nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; lead coordination entity | |
isothiocyanic acid | [no description available] | medium | 1 | 0 | hydracid; one-carbon compound | |
iduronate | [no description available] | medium | 1 | 0 | idopyranuronic acid; L-iduronic acid | |
lavendustin a | [no description available] | medium | 1 | 0 | aromatic amine | |
antimycin | [no description available] | medium | 1 | 0 | | |
alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist |
serotonin adipinate | [no description available] | medium | 2 | 0 | | |
enkephalin, d-penicillamine (2,5)- | [no description available] | medium | 2 | 0 | heterodetic cyclic peptide | delta-opioid receptor agonist |
strontium nitrate | [no description available] | medium | 1 | 1 | | |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
cyanogen bromide | [no description available] | medium | 1 | 0 | | |
azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine; nucleoside analogue | antineoplastic agent |
methyleugenol | [no description available] | medium | 1 | 0 | phenylpropanoid | |
clofibric acid | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid; monochlorobenzenes | anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist |
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 |
thioinosine | [no description available] | medium | 1 | 0 | | |
4-nitrobenzylthioinosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
sr 142948a | [no description available] | medium | 1 | 0 | | |
2-hydroxy-5-nitrobenzylthioguanosine | [no description available] | medium | 1 | 0 | | |
n-acetylmannosamine | [no description available] | medium | 1 | 0 | | |
n-propanoylmannosamine | [no description available] | medium | 1 | 0 | | |
jte 522 | [no description available] | medium | 1 | 0 | 1,3-oxazoles; organofluorine compound; sulfonamide | cyclooxygenase 2 inhibitor |
diiodotyrosine | [no description available] | medium | 2 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
sepiapterin | [no description available] | medium | 2 | 0 | sepiapterin | |
pteridines | [no description available] | medium | 3 | 0 | azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines | |
xenopsin | [no description available] | medium | 2 | 0 | | |
n-epsilon-acetyllysine | [no description available] | medium | 1 | 0 | acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine | human metabolite |
n-methylacetamide | [no description available] | medium | 1 | 0 | acetamides; monocarboxylic acid amide | metabolite |
nitecapone | [no description available] | medium | 1 | 0 | hydroxycinnamic acid | |
pinaverium | [no description available] | medium | 2 | 0 | monoterpenoid | |
my 1250 | [no description available] | medium | 1 | 0 | | |
motapizone | [no description available] | medium | 1 | 0 | | |
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 |
diadenosine 5',5''''-p1,p6-hexaphosphate | [no description available] | medium | 1 | 0 | diadenosyl hexaphosphate | vasoconstrictor agent |
diadenosine triphosphate | [no description available] | medium | 1 | 0 | diadenosyl triphosphate | mouse metabolite |
calvatic acid | [no description available] | medium | 1 | 0 | | |
cuprizone | [no description available] | medium | 1 | 0 | organonitrogen compound; organooxygen compound | |
aminostigmine | [no description available] | medium | 1 | 0 | | |
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline | [no description available] | medium | 1 | 0 | | |
methyl angolensate | [no description available] | medium | 1 | 0 | | |
an 1 | [no description available] | medium | 1 | 0 | amphetamines | |
diquat | [no description available] | medium | 1 | 0 | organic cation | defoliant; herbicide |
men 11420 | [no description available] | medium | 1 | 0 | | |
cp 105696 | [no description available] | medium | 1 | 0 | | |
ammonium peroxydisulfate | [no description available] | medium | 1 | 0 | | |
firefly luciferin | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
alpha-linolenic acid | [no description available] | medium | 2 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
deoxypyridinoline | [no description available] | medium | 1 | 0 | | |
8-(4-sulfophenyl)theophylline | [no description available] | medium | 2 | 0 | | |
contrast agent p792 | [no description available] | medium | 1 | 0 | | |
denbinobin | [no description available] | medium | 1 | 0 | | |
ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
arginyl-glycyl-aspartic acid | [no description available] | medium | 1 | 0 | oligopeptide | |
tetraglyme | [no description available] | medium | 1 | 0 | polyether | |
am-356 | [no description available] | medium | 1 | 0 | fatty amide | |
gamma-glutamylmethylamide | [no description available] | medium | 1 | 0 | | |
azuletil sodium | [no description available] | medium | 1 | 0 | organic sodium salt; organosulfonate salt | anti-ulcer drug; thromboxane A2 antagonist |
isosorbide dinitrate | [no description available] | medium | 5 | 0 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
atosiban | [no description available] | medium | 1 | 0 | oligopeptide | |
ha 1100 | [no description available] | medium | 1 | 0 | | |
sarpogrelate | [no description available] | medium | 1 | 0 | hemisuccinate; stilbenoid | |
nitrosoguanidines | [no description available] | medium | 3 | 0 | | |
egta acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
pyruvic acid | [no description available] | medium | 2 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
harmine | [no description available] | medium | 2 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
harman | [no description available] | medium | 1 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
8-chloro-cyclic adenosine monophosphate | [no description available] | medium | 1 | 0 | | |
tributyrin | [no description available] | medium | 1 | 0 | butyrate ester; triglyceride | antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent |
u 73343 | [no description available] | medium | 1 | 0 | | |
2-butanol | [no description available] | medium | 1 | 0 | secondary alcohol | |
manoalide | [no description available] | medium | 1 | 0 | butenolide; lactol; sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite |
ganhuangenin | [no description available] | medium | 1 | 0 | | |
linopirdine | [no description available] | medium | 1 | 0 | indoles | |
dimethyl sulfone | [no description available] | medium | 1 | 1 | sulfone | |
ioversol | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
iopamidol | [no description available] | medium | 10 | 4 | benzenedicarboxamide; organoiodine compound; pentol | environmental contaminant; radioopaque medium; xenobiotic |
secologanin | [no description available] | medium | 1 | 0 | aldehyde; beta-D-glucoside; enoate ester; methyl ester; pyrans; secoiridoid glycoside | plant metabolite |
labdane | [no description available] | medium | 1 | 0 | diterpene; terpenoid fundamental parent | |
xanthomicrol | [no description available] | medium | 1 | 0 | dihydroxyflavone; trimethoxyflavone | antineoplastic agent; plant metabolite |
2-fluorohistidine | [no description available] | medium | 2 | 0 | | |
benzene | [no description available] | medium | 7 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
teprotide | [no description available] | medium | 3 | 0 | peptide | |
hs 310 | [no description available] | medium | 1 | 0 | | |
droxidopa | [no description available] | medium | 1 | 0 | catechols; L-tyrosine derivative | antihypertensive agent; prodrug; vasoconstrictor agent |
nordefrin | [no description available] | medium | 2 | 0 | catecholamine | |
piperoxan | [no description available] | medium | 2 | 0 | | |
tretoquinol | [no description available] | medium | 2 | 0 | isoquinolines | |
limestone | [no description available] | medium | 2 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
dimethyldithiocarbamate | [no description available] | medium | 1 | 0 | dithiocarbamate anions | |
phenoperidine | [no description available] | medium | 1 | 0 | piperidines | |
chlorphenesin | [no description available] | medium | 1 | 0 | glycol; monochlorobenzenes; propane-1,2-diols | antibacterial drug; antifungal drug; muscle relaxant |
disodium 4,4'-9((1,3-dioxo-1,3-propanediyl)diimino)dibenzoate | [no description available] | medium | 1 | 0 | | |
4-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoate; aromatic amino-acid anion | Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
toxiferine | [no description available] | medium | 1 | 1 | alkaloid | |
1-isoamyl-3-isobutylxanthine | [no description available] | medium | 1 | 0 | | |
pizotyline | [no description available] | medium | 7 | 1 | benzocycloheptathiophene | histamine antagonist; muscarinic antagonist; serotonergic antagonist |
thenyldiamine | [no description available] | medium | 1 | 0 | dialkylarylamine; tertiary amino compound | |
bitolterol | [no description available] | medium | 3 | 1 | carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug |
fenclonine | [no description available] | medium | 8 | 0 | phenylalanine derivative | |
p-chloroamphetamine | [no description available] | medium | 1 | 0 | | |
pivampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester; pivaloyloxymethyl ester | prodrug |
minocycline | [no description available] | medium | 1 | 0 | | |
molybdenum | [no description available] | medium | 1 | 0 | chromium group element atom | micronutrient |
acetyl coenzyme a | [no description available] | medium | 1 | 0 | acyl-CoA | acyl donor; coenzyme; effector; fundamental metabolite |
lypressin | [no description available] | medium | 5 | 0 | cyclic peptide | |
amobarbital | [no description available] | medium | 4 | 0 | barbiturates | |
dimethoxyphenylethylamine | [no description available] | medium | 2 | 0 | alkaloid; aromatic ether; phenylethylamine | allergen; plant metabolite |
bromine | [no description available] | medium | 2 | 0 | diatomic bromine | |
glycylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | human metabolite |
ninhydrin | [no description available] | medium | 2 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
tosyllysine chloromethyl ketone | [no description available] | medium | 1 | 0 | sulfonic acid derivative | |
chymosin | [no description available] | medium | 1 | 0 | | |
o-chlorobenzylidenemalonitrile | [no description available] | medium | 1 | 0 | organochlorine compound | |
dithionite | [no description available] | medium | 1 | 0 | sulfur oxide; sulfur oxoanion | |
hexylcaine | [no description available] | medium | 1 | 0 | benzoate ester | |
enclomiphene | [no description available] | medium | 3 | 0 | | |
menotropins | [no description available] | medium | 2 | 0 | | |
amitrole | [no description available] | medium | 2 | 0 | aromatic amine; triazoles | carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide |
trenbolone acetate | [no description available] | medium | 1 | 0 | steroid ester | |
daunorubicin | [no description available] | medium | 3 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
2,6-dinitro-4-trifluoromethylbenzenesulfonic acid | [no description available] | medium | 1 | 0 | | |
antimony potassium tartrate | [no description available] | medium | 1 | 0 | | |
tremorine | [no description available] | medium | 8 | 0 | N-alkylpyrrolidine | |
adenosine 5'-phosphoramidate | [no description available] | medium | 1 | 0 | organic phosphoramidate | Mycoplasma genitalium metabolite |
trithiozine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
samarium | [no description available] | medium | 3 | 0 | f-block element atom; lanthanoid atom | |
4-methylesculetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | anti-inflammatory agent; antioxidant; hyaluronan synthesis inhibitor |
nicotinyl alcohol | [no description available] | medium | 2 | 0 | aromatic primary alcohol; pyridines | antilipemic drug; vasodilator agent |
trimecaine | [no description available] | medium | 1 | 0 | amino acid amide | |
dexetimide | [no description available] | medium | 1 | 0 | piperidines | |
ethoxazene | [no description available] | medium | 1 | 0 | azobenzenes | |
tritoqualine | [no description available] | medium | 7 | 2 | isoquinolines | |
anserine | [no description available] | medium | 2 | 0 | beta-alanine derivative; dipeptide; zwitterion | animal metabolite; mouse metabolite |
butaclamol | [no description available] | medium | 1 | 0 | | |
i(3)so3-galactosylceramide | [no description available] | medium | 1 | 0 | galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine | |
bromopride | [no description available] | medium | 1 | 0 | benzamides | |
n 0164 | [no description available] | medium | 1 | 0 | | |
2-hydroxy-5-nitrobenzyl bromide | [no description available] | medium | 1 | 0 | | |
bromosuccinimide | [no description available] | medium | 1 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
dianisidine | [no description available] | medium | 1 | 0 | biphenyls | |
thioacetamide | [no description available] | medium | 3 | 0 | thiocarboxamide | hepatotoxic agent |
cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
fenclorac | [no description available] | medium | 1 | 0 | | |
thorium | [no description available] | medium | 2 | 0 | actinoid atom; f-block element atom | |
diphenoxylate | [no description available] | medium | 1 | 0 | ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine | antidiarrhoeal drug |
thiamine pyrophosphate | [no description available] | medium | 3 | 0 | organic chloride salt; vitamin B1 | |
levorphanol | [no description available] | medium | 5 | 0 | morphinane alkaloid | |
lynestrenol | [no description available] | medium | 3 | 0 | steroid | |
norleucine | [no description available] | medium | 1 | 0 | 2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | |
deet | [no description available] | medium | 1 | 0 | benzamides; monocarboxylic acid amide | environmental contaminant; insect repellent; xenobiotic |
prodolic acid | [no description available] | medium | 1 | 0 | | |
caloreen | [no description available] | medium | 1 | 0 | | |
quinacrine mustard | [no description available] | medium | 1 | 0 | hydrochloride | intercalator |
skatole | [no description available] | medium | 1 | 0 | methylindole | human metabolite; mammalian metabolite |
thebaine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound | |
aminorex | [no description available] | medium | 1 | 0 | benzenes | |
Brilliant Blue | [no description available] | medium | 1 | 0 | organic molecular entity | |
triphenyltin chloride | [no description available] | medium | 1 | 0 | chlorine molecular entity; organotin compound | antifungal agrochemical; immunosuppressive agent |
andolast | [no description available] | medium | 1 | 0 | | |
hydantoic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; N-acylglycine; ureas | rat metabolite; xenobiotic metabolite |
cyclosporin h | [no description available] | medium | 1 | 0 | | |
1,9-dideoxyforskolin | [no description available] | medium | 1 | 0 | acetate ester; labdane diterpenoid; organic heterotricyclic compound | plant metabolite |
fructose 2,6-diphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 2,6-bisphosphate | human metabolite; mouse metabolite |
3-o-methylglucose | [no description available] | medium | 1 | 0 | D-aldohexose derivative | |
n-formylmethionylphenylalanine | [no description available] | medium | 1 | 0 | peptide | |
15(s)-15-methylprostaglandin e1 | [no description available] | medium | 2 | 0 | prostanoid | |
neurokinin a(4-10), tyr(5)-trp(6,8,9)-lys(10)- | [no description available] | medium | 1 | 0 | | |
perezone | [no description available] | medium | 1 | 0 | | |
hydroxymaprotilin | [no description available] | medium | 2 | 0 | | |
prilocaine | [no description available] | medium | 5 | 4 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
psd 502 | [no description available] | medium | 3 | 3 | | |
cefuroxime | [no description available] | medium | 1 | 0 | carbamate ester; cephalosporin | |
xamoterol | [no description available] | medium | 1 | 0 | morpholines | |
t 0509 | [no description available] | medium | 1 | 0 | | |
esaprazole | [no description available] | medium | 1 | 0 | | |
t-kinin | [no description available] | medium | 1 | 0 | peptide | |
monocrotaline | [no description available] | medium | 2 | 0 | pyrrolizidine alkaloid | |
flutropium bromide | [no description available] | medium | 3 | 0 | | |
amlexanox | [no description available] | medium | 6 | 0 | monocarboxylic acid; pyridochromene | anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug |
bw 443c | [no description available] | medium | 2 | 0 | | |
nz 107 | [no description available] | medium | 4 | 0 | | |
sulotroban | [no description available] | medium | 1 | 0 | | |
2-mercaptomethyl-3-guanidinoethylthiopropionic acid | [no description available] | medium | 2 | 0 | | |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
betamethasone-17,21-dipropionate | [no description available] | medium | 3 | 1 | | |
b 823-08 | [no description available] | medium | 1 | 0 | aromatic ether | |
pd 136450 | [no description available] | medium | 1 | 0 | | |
9-anthroylcholine | [no description available] | medium | 1 | 0 | | |
sennoside a&b | [no description available] | medium | 1 | 0 | | |
bu-e 75 | [no description available] | medium | 1 | 0 | | |
inositol 1,3,4-trisphosphate | [no description available] | medium | 1 | 0 | inositol phosphate oxoanion | human metabolite |
phenylalaninol | [no description available] | medium | 1 | 0 | amino alcohol; amphetamines; primary alcohol; primary amino compound | |
ifosfamide | [no description available] | medium | 2 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
phenyltrimethylammonium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | |
cicletanine | [no description available] | medium | 10 | 0 | organochlorine compound | |
digitonin | [no description available] | medium | 5 | 0 | | |
s(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid | [no description available] | medium | 1 | 0 | | |
xylamine | [no description available] | medium | 1 | 0 | | |
3,5-dimethyl-2-(3-pyridyl)thiazolidin-4-one | [no description available] | medium | 1 | 0 | | |
neon | [no description available] | medium | 1 | 0 | monoatomic neon; noble gas atom; p-block element atom | |
propoxycaine | [no description available] | medium | 1 | 0 | benzoate ester | |
proxymetacaine | [no description available] | medium | 1 | 0 | benzoate ester | |
8,15-leukotriene b4 | [no description available] | medium | 1 | 0 | | |
phorbol-12,13-didecanoate | [no description available] | medium | 2 | 0 | | |
as 35 | [no description available] | medium | 1 | 0 | | |
cgp 35348 | [no description available] | medium | 1 | 0 | | |
copper bis(histidinate) | [no description available] | medium | 1 | 0 | | |
idazoxan | [no description available] | medium | 4 | 0 | benzodioxine; imidazolines | alpha-adrenergic antagonist |
lhrh, n-ac-2-nal(1)-4-cl-phe(2)-trp(3)-hci(6)-alanh2(10)- | [no description available] | medium | 1 | 0 | | |
arg-3-hyp-7-phe-bradykinin | [no description available] | medium | 1 | 0 | oligopeptide | bradykinin receptor antagonist |
substance p (4-11), pro(4)-trp(7,9,10)- | [no description available] | medium | 2 | 0 | | |
dextrorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
4,4'-dinitro-2,2'-stilbenedisulfonic acid | [no description available] | medium | 1 | 0 | 4,4'-dinitrostilbene-2,2'-disulfonic acid | |
glucagon-like peptide 1 (1-37) | [no description available] | medium | 1 | 0 | | |
inositol 2-monophosphate | [no description available] | medium | 1 | 0 | | |
repirinast | [no description available] | medium | 1 | 0 | organic molecular entity | |
cilazapril, anhydrous | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester; ethyl ester; pyridazinodiazepine | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
cilazaprilat | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid | |
meglumine ioglicinate | [no description available] | medium | 1 | 0 | | |
docusate | [no description available] | medium | 2 | 0 | diester; organosulfonic acid | |
chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
senktide | [no description available] | medium | 1 | 0 | | |
6-methoxy-n-(3-sulfopropyl)quinolinium | [no description available] | medium | 1 | 0 | | |
1,2-diaminopropane | [no description available] | medium | 1 | 0 | diamine | ligand |
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt | [no description available] | medium | 2 | 0 | organosulfur compound; sulfonic acid derivative | |
enkephalin-leu, ala(2)-arg(6)- | [no description available] | medium | 2 | 0 | | |
miltefosine | [no description available] | medium | 1 | 0 | phosphocholines; phospholipid | anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor |
1-hexadecyl-2-methoxyglycero-3-phosphocholine | [no description available] | medium | 1 | 0 | | |
1-o-hexadecyl-2-o-methylglycerol | [no description available] | medium | 1 | 0 | | |
n'-cyano-n-(3-pyridyl)-n''-(t-butyl)guanidine | [no description available] | medium | 1 | 0 | | |
3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate | |
y 20811 | [no description available] | medium | 1 | 0 | | |
gr 63799x | [no description available] | medium | 1 | 0 | | |
2-phenyl-3-(n,n-dimethylaminopropyl)-1,3-thiazolidin-4-one | [no description available] | medium | 1 | 0 | | |
cotinine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
pirarubicin | [no description available] | medium | 1 | 0 | anthracycline | |
4-aminomethylbenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids | |
methoxsalen | [no description available] | medium | 2 | 1 | aromatic ether; psoralens | antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite |
hydroxide ion | [no description available] | medium | 1 | 0 | oxygen hydride | mouse metabolite |
biperiden | [no description available] | medium | 1 | 0 | piperidines; tertiary alcohol; tertiary amino compound | antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic |
8-hydroxy-11,12-epoxyeicosa-5,9,14-trienoic acid | [no description available] | medium | 1 | 0 | | |
bicuculline methochloride | [no description available] | medium | 1 | 0 | | |
ethoxyquin | [no description available] | medium | 1 | 0 | aromatic ether; quinolines | antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator |
s-ethyl glutathione | [no description available] | medium | 1 | 0 | oligopeptide | |
aminacrine | [no description available] | medium | 2 | 0 | aminoacridines; primary amino compound | acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen |
cularine | [no description available] | medium | 1 | 0 | alkaloid | |
nuvenzepine | [no description available] | medium | 1 | 0 | | |
nco 650 | [no description available] | medium | 3 | 0 | | |
3-tyr-octreotide | [no description available] | medium | 1 | 0 | | |
strophanthidin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde | |
detomidine | [no description available] | medium | 1 | 0 | | |
7,8-(methylenedioxy)-14-hydroxyberbane | [no description available] | medium | 1 | 0 | | |
setastine | [no description available] | medium | 1 | 0 | diarylmethane | |
clentiazem | [no description available] | medium | 1 | 0 | | |
u 66985 | [no description available] | medium | 2 | 0 | | |
himbacine | [no description available] | medium | 1 | 0 | gamma-lactone; organic heterotricyclic compound; piperidine alkaloid | muscarinic antagonist |
btm 1042 | [no description available] | medium | 1 | 0 | | |
2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran | [no description available] | medium | 2 | 0 | | |
enkephalinamide-leu, ala(2)- | [no description available] | medium | 1 | 0 | | |
3,4-dihydroxyphenylglycol | [no description available] | medium | 1 | 0 | catechols; tetrol | metabolite; mouse metabolite |
azuletil | [no description available] | medium | 1 | 0 | arenesulfonic acid; azulenes | anti-ulcer drug; thromboxane A2 antagonist |
9-hydroxy-10,12-octadecadienoic acid | [no description available] | medium | 1 | 0 | HODE; octadecadienoic acid | human metabolite; metabolite; mouse metabolite; plant metabolite |
ticarcillin | [no description available] | medium | 1 | 1 | penicillin allergen; penicillin | antibacterial drug |
lacidipine | [no description available] | medium | 1 | 0 | cinnamate ester; tert-butyl ester | |
hoe k86-4321 | [no description available] | medium | 1 | 0 | | |
2-phenyl-1,2-benzisothiazol-3-(2h)-one | [no description available] | medium | 1 | 0 | | |
sch 37224 | [no description available] | medium | 2 | 0 | | |
carboxypeptidase b | [no description available] | medium | 1 | 0 | | |
sr 2640 | [no description available] | medium | 1 | 0 | quinolines | |
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2 | [no description available] | medium | 1 | 0 | prostaglandins J; secondary alcohol | antineoplastic agent; antiviral agent |
12-deoxyphorbol 13-isobutyrate | [no description available] | medium | 2 | 0 | | |
glicentin | [no description available] | medium | 2 | 0 | | |
tetrachlorophthalic anhydride | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; tetrachlorobenzene | allergen; cross-linking reagent |
phenosafranine | [no description available] | medium | 1 | 0 | organic chloride salt | fluorochrome; histological dye; photosensitizing agent |
quinaldic acid | [no description available] | medium | 1 | 0 | quinolinemonocarboxylic acid | human metabolite; Saccharomyces cerevisiae metabolite |
aluminum hydroxide, magnesium hydroxide, drug combination | [no description available] | medium | 1 | 0 | | |
saxitoxin | [no description available] | medium | 1 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
sch 37370 | [no description available] | medium | 1 | 0 | | |
sdz 64-412 | [no description available] | medium | 1 | 0 | | |
coenzyme q10 | [no description available] | medium | 2 | 0 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
dimephosphon | [no description available] | medium | 1 | 0 | | |
n'-acetylspermine | [no description available] | medium | 1 | 0 | acetamides; acetylspermine | human metabolite |
bradykinin, met-lys- | [no description available] | medium | 2 | 0 | | |
8-cyclopropyltheophylline | [no description available] | medium | 1 | 0 | | |
n-hydroxysuccinimide suberic acid ester | [no description available] | medium | 1 | 0 | | |
3-amino-6-methyl-5-phenyl-2(1h)-pyridinone | [no description available] | medium | 1 | 0 | | |
darodipine | [no description available] | medium | 4 | 0 | | |
dihydroouabain | [no description available] | medium | 2 | 0 | | |
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 |
ioglicic acid | [no description available] | medium | 2 | 1 | amidobenzoic acid | |
quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
acitretin | [no description available] | medium | 1 | 0 | acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid | keratolytic drug |
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
mezlocillin | [no description available] | medium | 2 | 0 | | |
substance p (4-11), pro(4)-trp(7,9)- | [no description available] | medium | 2 | 0 | | |
defibrotide | [no description available] | medium | 2 | 0 | | |
vasopressin, deamino-homo-arg- | [no description available] | medium | 1 | 0 | | |
alpha-hydrazinohistidine | [no description available] | medium | 6 | 0 | | |
yc 170 | [no description available] | medium | 1 | 0 | anilide | |
enkephalinamide-met, ala(2)- | [no description available] | medium | 1 | 0 | | |
trimoprostil | [no description available] | medium | 2 | 1 | | |
pn 202-791 | [no description available] | medium | 1 | 0 | benzoxadiazole; isopropyl ester | |
perfluorotributylamine | [no description available] | medium | 1 | 0 | organofluorine compound | blood substitute; greenhouse gas; solvent |
poloxalene | [no description available] | medium | 1 | 0 | epoxide | |
methoxyamine | [no description available] | medium | 1 | 0 | organooxygen compound | |
sulfolane | [no description available] | medium | 1 | 0 | sulfone; tetrahydrothiophenes | polar aprotic solvent |
rhodanine | [no description available] | medium | 1 | 0 | thiazolidinone | |
emorfazone | [no description available] | medium | 1 | 0 | organic molecular entity | |
methohexital | [no description available] | medium | 4 | 1 | acetylenic compound; barbiturates | drug allergen; intravenous anaesthetic |
2-n-butyl-3-(dimethylamino)-5,6-methylenedioxyindene | [no description available] | medium | 1 | 0 | | |
azo rubin s | [no description available] | medium | 1 | 0 | | |
6-methyl-n-(1h-tetrazol-5-yl)-2-pyridinecarboxamide | [no description available] | medium | 1 | 0 | | |
carbogen | [no description available] | medium | 1 | 0 | | |
calmidazolium | [no description available] | medium | 3 | 0 | imidazolium ion | apoptosis inducer; calmodulin antagonist |
dicetylphosphate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
r 59022 | [no description available] | medium | 1 | 0 | diarylmethane | |
trimethionine | [no description available] | medium | 1 | 0 | oligopeptide | |
kp 136 | [no description available] | medium | 1 | 0 | | |
dihydro-dids | [no description available] | medium | 1 | 0 | | |
picumast | [no description available] | medium | 1 | 0 | | |
6,6'-methylenebis(2,2-dimethyl-4-methanesulfonic acid-1,2-dihydroquinoline) | [no description available] | medium | 1 | 0 | | |
orotirelin | [no description available] | medium | 1 | 0 | | |
keratan sulfate | [no description available] | medium | 1 | 0 | | |
dazmegrel | [no description available] | medium | 1 | 0 | | |
l 648051 | [no description available] | medium | 3 | 1 | | |
lipoxin a5 | [no description available] | medium | 1 | 0 | HEPE | |
lipoxin b5 | [no description available] | medium | 1 | 0 | | |
b 4162 | [no description available] | medium | 1 | 0 | | |
cdta | [no description available] | medium | 1 | 0 | organooxygen compound | |
tazifylline | [no description available] | medium | 1 | 1 | | |
isofloxythepin | [no description available] | medium | 1 | 0 | | |
3,3'-di-o-methylquercetin | [no description available] | medium | 1 | 0 | 3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone | antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite |
rilmenidine | [no description available] | medium | 3 | 1 | isourea | |
somatostatin, tyr(11)- | [no description available] | medium | 1 | 0 | | |
medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
atipamezole | [no description available] | medium | 1 | 0 | | |
na 0345 | [no description available] | medium | 1 | 0 | | |
bradykinin, (thi-ala)(5,8)-phe(7)- | [no description available] | medium | 1 | 0 | | |
amoxicillin-potassium clavulanate combination | [no description available] | medium | 1 | 1 | | |
bradykinin, des-phe(8)-des-arg(9)- | [no description available] | medium | 1 | 0 | oligopeptide | human metabolite; rat metabolite |
ah 23848 | [no description available] | medium | 1 | 0 | (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid | |
cobra cardiotoxin proteins | [no description available] | medium | 1 | 0 | | |
12-deoxyphorbol-13-isobutyrate-20-acetate | [no description available] | medium | 1 | 0 | | |
vincamine | [no description available] | medium | 1 | 0 | alkaloid ester; hemiaminal; methyl ester; organic heteropentacyclic compound; vinca alkaloid | antihypertensive agent; metabolite; vasodilator agent |
restacorin | [no description available] | medium | 1 | 0 | | |
azodicarbonamide | [no description available] | medium | 1 | 0 | organic molecular entity | |
6-chloro-2-(1-piperazinyl)pyrazine | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
threitol | [no description available] | medium | 1 | 0 | threitol | human metabolite |
gossypol | [no description available] | medium | 1 | 0 | | |
etimizol | [no description available] | medium | 2 | 0 | | |
sk&f 102922 | [no description available] | medium | 1 | 0 | | |
2-amino-4-phosphonobutyric acid | [no description available] | medium | 1 | 0 | | |
sri 63-441 | [no description available] | medium | 1 | 0 | | |
benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant; plant metabolite; xenobiotic |
isoguvacine | [no description available] | medium | 1 | 0 | tetrahydropyridine | |
amifostine anhydrous | [no description available] | medium | 1 | 0 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
deltakephalin | [no description available] | medium | 1 | 0 | | |
n,n-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine | [no description available] | medium | 1 | 0 | | |
propionylcholine | [no description available] | medium | 1 | 0 | acylcholine | |
2-octopamine | [no description available] | medium | 1 | 0 | | |
medazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
ro 03-7894 | [no description available] | medium | 1 | 0 | | |
tzu 0460 | [no description available] | medium | 2 | 0 | piperidines | |
oxepins | [no description available] | medium | 1 | 0 | | |
etintidine | [no description available] | medium | 3 | 0 | | |
amitraz | [no description available] | medium | 1 | 0 | formamidines; tertiary amino compound | acaricide; environmental contaminant; insecticide; xenobiotic |
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol | [no description available] | medium | 1 | 0 | | |
hydroxybenzylisoproterenol | [no description available] | medium | 1 | 0 | | |
fepradinol | [no description available] | medium | 1 | 0 | aralkylamine | |
colterol | [no description available] | medium | 1 | 0 | catechols; ethanolamines; secondary alcohol; secondary amino compound; triol | anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent |
2,3-diaminopropionic acid | [no description available] | medium | 1 | 0 | alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid | Escherichia coli metabolite |
cyclazocine | [no description available] | medium | 1 | 0 | | |
ethylketocyclazocine | [no description available] | medium | 1 | 0 | | |
hypolaetin-8-glucoside | [no description available] | medium | 1 | 0 | | |
bombesin nonapeptide | [no description available] | medium | 1 | 0 | | |
parthenin | [no description available] | medium | 1 | 0 | sesquiterpene lactone | |
ips 339 | [no description available] | medium | 1 | 0 | | |
cysteine sulfinic acid | [no description available] | medium | 1 | 0 | | |
sauvagine | [no description available] | medium | 1 | 0 | | |
ly 53857 | [no description available] | medium | 1 | 0 | | |
sodium chromate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
chromates | [no description available] | medium | 3 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
androsta-1,4,6-triene-3,17-dione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; androstanoid | EC 1.14.14.14 (aromatase) inhibitor; human xenobiotic metabolite |
4,17-dimethyltrilostane | [no description available] | medium | 1 | 0 | | |
diflorasone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | anti-inflammatory drug |
l 649923 | [no description available] | medium | 4 | 1 | | |
enisoprost | [no description available] | medium | 1 | 1 | | |
leukotriene f-4 | [no description available] | medium | 1 | 0 | dipeptide; leukotriene; organic sulfide | human metabolite |
8-azidoadenosine-3',5'-monophosphate | [no description available] | medium | 1 | 0 | | |
be 2254 | [no description available] | medium | 1 | 0 | tetralins | |
rubidium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; rubidium molecular entity | antidepressant; biomarker |
kadsurenone | [no description available] | medium | 4 | 0 | benzofurans | |
butaprost | [no description available] | medium | 1 | 0 | | |
cis methyldioxolane | [no description available] | medium | 1 | 0 | | |
fpl 57231 | [no description available] | medium | 2 | 0 | | |
5,12,20-trihydroxy-6,8,10,14-eicosatetraenoic acid | [no description available] | medium | 1 | 0 | | |
alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound; triazolobenzodiazepine | anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic |
mesulergine | [no description available] | medium | 1 | 0 | ergot alkaloid; sulfamides | antiparkinson drug; dopamine agonist; serotonergic antagonist |
3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
cobaltous chloride | [no description available] | medium | 2 | 0 | cobalt salt; inorganic chloride | allergen; calcium channel blocker; sensitiser; two-colour indicator |
vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside; purine nucleoside | antineoplastic agent; bacterial metabolite; nucleoside antibiotic |
enkephalin-met, arg(6)-phe(7)- | [no description available] | medium | 2 | 0 | organic molecular entity | |
ramipril | [no description available] | medium | 1 | 1 | 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 |
octyl glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside | plant metabolite |
phorbol | [no description available] | medium | 1 | 0 | cyclic ketone; enone; tertiary alcohol; tertiary alpha-hydroxy ketone; tetracyclic diterpenoid | |
cortisol 21-mesylate | [no description available] | medium | 1 | 0 | | |
nizatidine | [no description available] | medium | 1 | 0 | | |
fce 20700 | [no description available] | medium | 1 | 0 | | |
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 |
teleocidin b-4 | [no description available] | medium | 1 | 0 | | |
buserelin | [no description available] | medium | 1 | 1 | oligopeptide | |
piriprost | [no description available] | medium | 1 | 0 | | |
chlorodiphenyl (54% chlorine) | [no description available] | medium | 1 | 0 | | |
heptanal | [no description available] | medium | 1 | 0 | medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde | biomarker |
glycyl-histidyl-lysine | [no description available] | medium | 2 | 0 | tripeptide | chelator; hepatoprotective agent; metabolite; vulnerary |
amifampridine | [no description available] | medium | 1 | 0 | aminopyridine | |
diphenylmethane | [no description available] | medium | 1 | 0 | diarylmethane | |
5-dimethylamiloride | [no description available] | medium | 1 | 0 | | |
arachidonic acid omega-9 hydroperoxide | [no description available] | medium | 1 | 0 | HPETE | mouse metabolite |
quin2-acetoxymethyl ester | [no description available] | medium | 3 | 0 | | |
soman | [no description available] | medium | 3 | 0 | phosphonic ester | |
nickel chloride | [no description available] | medium | 1 | 0 | nickel coordination entity | calcium channel blocker; hapten |
trimeperidine | [no description available] | medium | 1 | 0 | | |
2,3-diketogulonic acid | [no description available] | medium | 1 | 0 | | |
oxodipine | [no description available] | medium | 1 | 0 | | |
almitrine | [no description available] | medium | 1 | 0 | piperazines; triamino-1,3,5-triazine | central nervous system stimulant |
ru 42173 | [no description available] | medium | 1 | 0 | benzazepine | |
bamifylline | [no description available] | medium | 1 | 0 | oxopurine | |
4-aminobutyraldehyde | [no description available] | medium | 1 | 0 | aminobutanal; omega-aminoaldehyde | Escherichia coli metabolite; mouse metabolite |
bn 52063 | [no description available] | medium | 1 | 1 | | |
pirlindole | [no description available] | medium | 1 | 0 | carbazoles | |
kebuzone | [no description available] | medium | 1 | 0 | methyl ketone; pyrazolidines | non-narcotic analgesic; non-steroidal anti-inflammatory drug |
benzotript | [no description available] | medium | 1 | 0 | | |
bacampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
talampicillin | [no description available] | medium | 1 | 0 | penicillanic acid ester | prodrug |
sulfur hexafluoride | [no description available] | medium | 1 | 0 | sulfur coordination entity | greenhouse gas; NMR chemical shift reference compound; ultrasound contrast agent |
guanfacine | [no description available] | medium | 1 | 0 | acetamides | |
granular blue | [no description available] | medium | 1 | 0 | | |
racecadotril | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
cyanopindolol | [no description available] | medium | 1 | 0 | indoles | |
arginine | [no description available] | medium | 1 | 0 | | |
thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent; antimetabolite; antineoplastic agent |
alpha-methyltyrosine methyl ester | [no description available] | medium | 1 | 0 | | |
t-2 toxin | [no description available] | medium | 2 | 0 | | |
thiamylal | [no description available] | medium | 1 | 0 | barbiturates; organosulfur compound | sedative |
triolein | [no description available] | medium | 4 | 0 | triglyceride | Caenorhabditis elegans metabolite; plant metabolite |
10,10'-dimethyl-9,9'-biacridinium | [no description available] | medium | 1 | 0 | | |
5'-methylthioadenosine | [no description available] | medium | 2 | 0 | thioadenosine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
gaboxadol | [no description available] | medium | 1 | 0 | oxazole | |
aminooxyacetic acid | [no description available] | medium | 1 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
cgp 28392 | [no description available] | medium | 1 | 0 | aromatic ether | |
morantel | [no description available] | medium | 1 | 0 | | |
osmium tetroxide | [no description available] | medium | 1 | 0 | osmium coordination entity | fixative; histological dye; oxidising agent; poison |
hematoporphyrin | [no description available] | medium | 1 | 0 | | |
13,14-didehydro-20-methylcarboprostacyclin | [no description available] | medium | 1 | 0 | | |
ro 22-6923 | [no description available] | medium | 2 | 0 | | |
tocainide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | anti-arrhythmia drug; local anaesthetic; sodium channel blocker |
3-methyl-2-benzothiazolone hydrazone | [no description available] | medium | 1 | 0 | | |
glycodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid glycine conjugate | human metabolite |
cyclosporin c | [no description available] | medium | 1 | 0 | | |
n-succinimidyl-3-(4-hydroxyphenyl)propionate | [no description available] | medium | 1 | 0 | | |
3-dimethylaminopropylamine | [no description available] | medium | 1 | 0 | | |
heptafluorobutyric anhydride | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride; organofluorine compound | chromatographic reagent |
dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector; mutagen |
pentaquine | [no description available] | medium | 1 | 0 | | |
pamaquine | [no description available] | medium | 1 | 0 | aminoquinoline | |
5,6-dihydroxytryptamine | [no description available] | medium | 1 | 0 | | |
5,6-dihydroxy-2-dimethylaminotetralin | [no description available] | medium | 1 | 0 | tetralins | |
isophosphamide mustard | [no description available] | medium | 1 | 0 | phosphorodiamide | |
methylmercuric chloride | [no description available] | medium | 1 | 0 | chlorine molecular entity; mercury coordination entity; one-carbon compound | |
spizofurone | [no description available] | medium | 1 | 0 | benzofurans | |
acriflavine | [no description available] | medium | 1 | 0 | | |
vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
oxyphenonium | [no description available] | medium | 1 | 0 | acylcholine | |
metaperiodate | [no description available] | medium | 3 | 0 | iodine oxoacid | |
ethylene oxide | [no description available] | medium | 1 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
tetrahydroharmane | [no description available] | medium | 1 | 0 | | |
nitrofurazone | [no description available] | medium | 1 | 0 | | |
methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist; sedative |
iodohippuric acid | [no description available] | medium | 1 | 0 | benzamides; N-acylglycine; organoiodine compound | |
chlorates | [no description available] | medium | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
phenylthiourea | [no description available] | medium | 1 | 0 | thioureas | EC 1.14.18.1 (tyrosinase) inhibitor |
arbaprostil | [no description available] | medium | 1 | 0 | prostanoid | |
indium | [no description available] | medium | 2 | 0 | boron group element atom | |
dichlorodiphenyldichloroethane | [no description available] | medium | 2 | 0 | chlorophenylethane; monochlorobenzenes; organochlorine insecticide | xenobiotic metabolite |
scandium | [no description available] | medium | 2 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
hydroxocobalamin | [no description available] | medium | 1 | 0 | | |
tricalcium phosphate | [no description available] | medium | 1 | 0 | calcium phosphate | |
oxazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone; organochlorine compound | anxiolytic drug; environmental contaminant; xenobiotic |
neodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
benperidol | [no description available] | medium | 6 | 0 | aromatic ketone | |
doxapram | [no description available] | medium | 1 | 0 | morpholines; pyrrolidin-2-ones | central nervous system stimulant |
rimiterol | [no description available] | medium | 1 | 1 | catechols | |
isocarboxazid | [no description available] | medium | 2 | 0 | benzenes | |
pregnanediol | [no description available] | medium | 5 | 0 | | |
acetylene | [no description available] | medium | 1 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
levoleucovorin | [no description available] | medium | 1 | 0 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
niobium | [no description available] | medium | 2 | 0 | vanadium group element atom | |
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 |
levallorphan | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
phenmetrazine | [no description available] | medium | 1 | 0 | morpholines | metabolite; sympathomimetic agent |
diethylpropion | [no description available] | medium | 1 | 0 | aromatic ketone; tertiary amine | appetite depressant |
cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes | antibacterial drug; antimicrobial agent |
n-pentanol | [no description available] | medium | 1 | 0 | pentanol; short-chain primary fatty alcohol | human metabolite; plant metabolite |
caprylates | [no description available] | medium | 1 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
butoxybenzyl hyoscyamine | [no description available] | medium | 1 | 0 | | |
wr 99210 | [no description available] | medium | 1 | 0 | | |
bemegride | [no description available] | medium | 1 | 0 | piperidones | |
chlormerodrin | [no description available] | medium | 1 | 0 | organomercury compound; ureas | diagnostic agent; diuretic |
psilocybin | [no description available] | medium | 1 | 0 | organic phosphate; tertiary amino compound; tryptamine alkaloid | fungal metabolite; hallucinogen; prodrug; serotonergic agonist |
trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
azaguanine | [no description available] | medium | 1 | 0 | nucleobase analogue; triazolopyrimidines | antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor |
fusidic acid | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
osmium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
glutaminase | [no description available] | medium | 1 | 0 | | |
sorbose | [no description available] | medium | 1 | 0 | L-sorbose; sorbopyranose | |
rhamnose | [no description available] | medium | 1 | 0 | L-rhamnose | |
arabinose | [no description available] | medium | 1 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
radon | [no description available] | medium | 1 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
francium | [no description available] | medium | 1 | 0 | alkali metal atom | |
antimony | [no description available] | medium | 2 | 0 | metalloid atom; pnictogen | |
ethyl biscoumacetate | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
triaziquone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones; aziridines | alkylating agent; antineoplastic agent |
delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
fomesafen | [no description available] | medium | 235 | 14 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
eye | [no description available] | medium | 44 | 2 | | |
exudates | [no description available] | medium | 2 | 0 | | |
isomethyleugenol | [no description available] | medium | 111 | 1 | isomethyleugenol | |
s,n,n'-tripropylthiocarbamate | [no description available] | medium | 11 | 0 | tertiary amine | |
humulene | [no description available] | medium | 7 | 0 | alpha-humulene | |
sabinene | [no description available] | medium | 6 | 0 | thujene | plant metabolite |
ants | [no description available] | medium | 11 | 0 | | |
trolamine salicylate | [no description available] | medium | 65 | 0 | | |
egg white | [no description available] | medium | 28 | 0 | | |
arctiin | [no description available] | medium | 1 | 0 | glycoside; lignan | |
nociceptin | [no description available] | medium | 7 | 0 | organic molecular entity; polypeptide | human metabolite; rat metabolite |
rosmarinic acid | [no description available] | medium | 2 | 1 | rosmarinic acid | geroprotector; plant metabolite |
apnea | [no description available] | medium | 11 | 0 | purine nucleoside | |
phenoxyacetic acid | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid | allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant |
iodinated glycerol | [no description available] | medium | 6 | 0 | dioxolane | |
4-methoxyamphetamine | [no description available] | medium | 9 | 0 | | |
sodium ethylxanthate | [no description available] | medium | 4 | 1 | | |
2-propanol | [no description available] | medium | 16 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |
cetylpyridinium chloride anhydrous | [no description available] | medium | 3 | 1 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
3,4-methylenedioxyamphetamine | [no description available] | medium | 1 | 0 | benzodioxoles | |
fenoxycarb | [no description available] | medium | 1 | 0 | aromatic ether; carbamate ester | environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic |
propiconazole | [no description available] | medium | 1 | 0 | conazole fungicide; cyclic ketal; dichlorobenzene; triazole fungicide; triazoles | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
fenpyroximate | [no description available] | medium | 1 | 0 | pyrazole acaricide; tert-butyl ester | mitochondrial NADH:ubiquinone reductase inhibitor |
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 |
hypericum | [no description available] | medium | 1 | 0 | penicillanic acids | |
torpedo | [no description available] | medium | 1 | 0 | | |
fusarium | [no description available] | medium | 1 | 0 | | |
pica | [no description available] | medium | 1 | 0 | | |
foxes | [no description available] | medium | 2 | 0 | | |
3-tyramine | [no description available] | low | 0 | 0 | primary amino compound; tyramines | human urinary metabolite; neurotransmitter |
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 |
acetylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | human metabolite |
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-hydroxykynurenine | [no description available] | low | 0 | 0 | hydroxykynurenine | human 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 |
aminolevulinic acid | [no description available] | low | 0 | 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 |
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 |
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 |
octanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
dihydrolipoic acid | [no description available] | low | 0 | 0 | thio-fatty acid | antioxidant; human metabolite; neuroprotective agent |
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 phosphate | [no description available] | low | 0 | 0 | glycerone phosphates; primary alpha-hydroxy ketone | Escherichia coli metabolite; 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 |
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 |
methylmercaptan | [no description available] | low | 0 | 0 | alkanethiol | human metabolite; Saccharomyces cerevisiae metabolite |
n-acetylserotonin | [no description available] | low | 0 | 0 | acetamides; N-acylserotonin; phenols | antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist |
n-methylphenylethanolamine | [no description available] | low | 0 | 0 | alkaloid; phenylethanolamines | human metabolite; plant 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 |
2-hydroxyphenethylamine | [no description available] | low | 0 | 0 | phenylethanolamines | human 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 |
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 |
perillic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid | antineoplastic agent; human metabolite; mouse metabolite |
meglutol | [no description available] | low | 0 | 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 |
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 |
4-cresol | [no description available] | low | 0 | 0 | cresol | Escherichia coli metabolite; human metabolite; uremic toxin |
decanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component |
nordazepam | [no description available] | low | 0 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
2,5-dihydroxybenzoic acid | [no description available] | low | 0 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; 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-amino-3-phosphonopropionic acid | [no description available] | low | 0 | 0 | alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids | human metabolite; metabotropic glutamate receptor antagonist |
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 |
stearic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; 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 |
cysteine | [no description available] | low | 0 | 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 |
etiocholanolone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3alpha-hydroxy steroid; androstanoid | human metabolite; mouse metabolite |
uridine monophosphate | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate | Escherichia coli metabolite; human metabolite; mouse 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 |
phosphoribosyl pyrophosphate | [no description available] | low | 0 | 0 | 5-O-phosphono-D-ribofuranosyl diphosphate | Escherichia coli metabolite; human metabolite; mouse 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 |
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 |
hexanoic acid | [no description available] | low | 0 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | human metabolite; plant metabolite |
isopropyl palmitate | [no description available] | low | 0 | 0 | fatty acid ester; isopropyl ester | human metabolite |
pregnenolone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid | human metabolite; mouse metabolite |
dibenzo(a,l)pyrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | human metabolite; mutagen |
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 |
4-hydroxyphenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid; phenols | bacterial metabolite; human metabolite |
lithocholic acid | [no description available] | low | 0 | 0 | bile acid; C24-steroid; monohydroxy-5beta-cholanic acid | geroprotector; human metabolite; mouse metabolite |
4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite |
homocystine | [no description available] | low | 0 | 0 | amino acid zwitterion; homocystines | human metabolite |
epitestosterone | [no description available] | low | 0 | 0 | 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen antagonist; 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 |
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 |
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 |
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 |
2'-deoxyadenosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | 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 |
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 |
uridine diphosphate glucuronic acid | [no description available] | low | 0 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
tetrahydropapaveroline | [no description available] | low | 0 | 0 | benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol | human metabolite |
cyclic cmp | [no description available] | low | 0 | 0 | 3',5'-cyclic pyrimidine nucleotide | 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 |
limonene | [no description available] | low | 0 | 0 | cycloalkene; p-menthadiene | 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 |
dimethylacetamide | [no description available] | low | 0 | 0 | acetamides; monocarboxylic acid amide | human metabolite |
pregnanolone | [no description available] | low | 0 | 0 | 3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid | human metabolite; intravenous anaesthetic; sedative |
s-adenosylmethionine | [no description available] | low | 0 | 0 | sulfonium betaine | human metabolite |
acetylgalactosamine | [no description available] | low | 0 | 0 | N-acetyl-D-hexosamine; N-acetylgalactosamine | Escherichia coli metabolite; human metabolite; mouse 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 |
1,5-anhydroglucitol | [no description available] | low | 0 | 0 | anhydro sugar | human metabolite |
3-methylhistidine | [no description available] | low | 0 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite; Saccharomyces cerevisiae metabolite |
5-methylcytosine | [no description available] | low | 0 | 0 | methylcytosine; pyrimidines | human metabolite |
deoxyuridine triphosphate | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Arabidopsis thaliana metabolite; 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 |
cholesteryl sulfate | [no description available] | low | 0 | 0 | steroid sulfate | human metabolite |
2'-deoxycytidine 5'-triphosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
25-hydroxycholesterol | [no description available] | low | 0 | 0 | 25-hydroxy steroid; oxysterol | human 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 |
tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol; aromatic ether; iodophenol; monocarboxylic acid | apoptosis inducer; human metabolite; thyroid hormone |
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 |
plasmenylserine | [no description available] | low | 0 | 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 |
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 |
indole-3-carboxylic acid | [no description available] | low | 0 | 0 | indol-3-yl carboxylic acid | bacterial metabolite; human metabolite |
5-hydroxymethylcytosine | [no description available] | low | 0 | 0 | aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone | human metabolite; mouse 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-serine | [no description available] | low | 0 | 0 | D-alpha-amino acid; serine zwitterion; serine | Escherichia coli metabolite; human metabolite; NMDA receptor agonist |
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 |
decane-1,2-diol | [no description available] | low | 0 | 0 | glycol; volatile organic compound | anti-inflammatory agent; antioxidant; 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 |
3,4-dihydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; catechols | antioxidant; drug metabolite; human metabolite; mouse 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 |
17-alpha-hydroxypregnenolone | [no description available] | low | 0 | 0 | 17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
cholest-4-en-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; cholestanoid | human metabolite; plant metabolite |
mephentermine | [no description available] | low | 0 | 0 | 2-aminooctadecane-1,3-diol | EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite |
2-pinene oxide | [no description available] | low | 0 | 0 | epoxide; pinane monoterpenoid | bacterial xenobiotic metabolite; fragrance; human metabolite |
3-hydroxybutyric acid | [no description available] | low | 0 | 0 | 3-hydroxybutyric acid; ketone body | fungal metabolite; human metabolite; pheromone |
L-2-aminoadipic acid | [no description available] | low | 0 | 0 | 2-aminoadipic acid | Escherichia coli metabolite; human metabolite |
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 |
brexanolone | [no description available] | low | 0 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative |
5-alpha-dihydroprogesterone | [no description available] | low | 0 | 0 | 20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone | human metabolite; progestogen |
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 |
1,2-distearoylphosphatidylethanolamine | [no description available] | low | 0 | 0 | phosphatidylethanolamine zwitterion; phosphatidylethanolamine | human metabolite |
hydrogen sulfite | [no description available] | low | 0 | 0 | sulfur oxoanion | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
aflatoxin b1-2,3-oxide | [no description available] | low | 0 | 0 | aflatoxin | human 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 |
propionylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug |
hypotaurine | [no description available] | low | 0 | 0 | aminosulfinic acid; zwitterion | human metabolite; metabolite; mouse metabolite |
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 |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid; selenocysteines | antineoplastic agent; human 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 |
7 alpha-hydroxy-4-cholesten-3-one | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid | human metabolite; mouse 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 |
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 |
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 |
isobutyryl-1-carnitine | [no description available] | low | 0 | 0 | methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine | human metabolite |
aceglutamide | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine | human metabolite |
aflatoxin b1 | [no description available] | low | 0 | 0 | aflatoxin; aromatic ether; aromatic ketone | carcinogenic agent; 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 |
beta-citrylglutamic acid | [no description available] | low | 0 | 0 | N-acyl-L-glutamic acid; tetracarboxylic acid | human metabolite; iron chelator |
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 |
cholic acid | [no description available] | low | 0 | 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] | low | 0 | 0 | 17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol | Daphnia magna metabolite; human metabolite |
cholesteryl palmitate | [no description available] | low | 0 | 0 | cholesteryl ester | human metabolite; mouse metabolite |
lanosterol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid | bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae 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'-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 |
5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant 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 |
taurolithocholic acid | [no description available] | low | 0 | 0 | bile acid taurine conjugate; monocarboxylic acid amide | human 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 |
24,25-dihydrolanosterol | [no description available] | low | 0 | 0 | 3beta-sterol; tetracyclic triterpenoid | human metabolite; mouse metabolite |
2-hydroxyestrone | [no description available] | low | 0 | 0 | 2-hydroxy steroid; catechols | human 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 |
epiandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; human 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 |
enkephalin, methionine | [no description available] | low | 0 | 0 | pentapeptide; peptide zwitterion | analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist |
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 |
3-hydroxy-3-methylglutaryl-coenzyme a | [no description available] | low | 0 | 0 | 3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA | human metabolite; mouse metabolite |
ribothymidine | [no description available] | low | 0 | 0 | methyluridine | antigen; Escherichia coli metabolite; 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 |
retinaldehyde | [no description available] | low | 0 | 0 | retinal; vitamin A | gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite |
squalene | [no description available] | low | 0 | 0 | triterpene | human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
thyrotropin-releasing hormone | [no description available] | low | 0 | 0 | peptide hormone; tripeptide | 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 |
mannose 1-phosphate | [no description available] | low | 0 | 0 | mannose phosphate | fundamental metabolite; human metabolite |
cysteine sulfinic acid | [no description available] | low | 0 | 0 | organosulfinic acid; S-substituted L-cysteine | Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse 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 |
estrone sulfate | [no description available] | low | 0 | 0 | 17-oxo steroid; steroid sulfate | human metabolite; mouse metabolite |
hydroxylysine | [no description available] | low | 0 | 0 | 5-hydroxylysine; hydroxy-L-lysine | 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 |
psychosine | [no description available] | low | 0 | 0 | glycosylsphingoid | human metabolite |
ubiquinone 9 | [no description available] | low | 0 | 0 | ubiquinones | antioxidant; 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 |
prostaglandin a2 | [no description available] | low | 0 | 0 | prostaglandins A | human 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 |
prostaglandin e3 | [no description available] | low | 0 | 0 | prostaglandins E | 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 |
retinoyl beta-glucuronide | [no description available] | low | 0 | 0 | glucuronic acids; retinoid | human metabolite |
prostaglandin d3 | [no description available] | low | 0 | 0 | prostaglandins D | human metabolite |
glyceryl 2-arachidonate | [no description available] | low | 0 | 0 | 2-acylglycerol 20:4; endocannabinoid | human metabolite |
tocotrienol, alpha | [no description available] | low | 0 | 0 | tocotrienol; vitamin E | ferroptosis inhibitor; human metabolite; neuroprotective agent; plant 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 |
9,11-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 |
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 |
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 |
hyodeoxycholic acid | [no description available] | low | 0 | 0 | 5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid | human metabolite; mouse metabolite |
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 |
deoxyribose | [no description available] | low | 0 | 0 | deoxypentose | human metabolite; mouse 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 |
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 |
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 |
13-cis-retinal | [no description available] | low | 0 | 0 | retinal | human metabolite |
4-hydroxyretinoic acid | [no description available] | low | 0 | 0 | retinoid; secondary allylic alcohol | 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 |
ursodoxicoltaurine | [no description available] | low | 0 | 0 | bile acid taurine conjugate | anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent |
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 |
3-hydroxyproline | [no description available] | low | 0 | 0 | 3-hydroxyproline; amino acid zwitterion; D-proline derivative | bacterial metabolite; human metabolite |
cytidine diphosphate choline | [no description available] | low | 0 | 0 | nucleotide-(amino alcohol)s; phosphocholines | human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae 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 |
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 |
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 |
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 |
uridine diphosphate n-acetylgalactosamine | [no description available] | low | 0 | 0 | nucleotide-sugar oxoanion | 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 |
9-PAHSA | [no description available] | low | 0 | 0 | FAHFA; long-chain fatty acid | anti-inflammatory agent; human metabolite; hypoglycemic agent |
lugdunin | [no description available] | low | 0 | 0 | homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines | human metabolite; rat metabolite |
deoxyguanosine | [no description available] | low | 0 | 0 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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 |
guanosine diphosphate mannose | [no description available] | low | 0 | 0 | GDP-D-mannose | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite |
dyspropterin | [no description available] | low | 0 | 0 | biopterins; tetrahydropterin | human metabolite; metabolite; mouse metabolite |
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(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 |
alpha-hydroxyglutarate | [no description available] | low | 0 | 0 | 2-hydroxydicarboxylic acid; dicarboxylic fatty acid | metabolite; mouse metabolite |
alpha-ketoadipic acid | [no description available] | low | 0 | 0 | oxo dicarboxylic acid | human urinary metabolite; mouse metabolite |
n-carbamoyl-beta-alanine | [no description available] | low | 0 | 0 | beta-alanine derivative | metabolite; mouse metabolite |
4-hydroxybenzaldehyde | [no description available] | low | 0 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite |
allantoic acid | [no description available] | low | 0 | 0 | ureas | mouse metabolite; plant metabolite |
aminoacetone | [no description available] | low | 0 | 0 | methyl ketone; propanones | Escherichia coli metabolite; mouse metabolite |
hydrobromic acid | [no description available] | low | 0 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
butyraldehyde | [no description available] | low | 0 | 0 | butanals | biomarker; Escherichia coli metabolite; mouse metabolite |
carbamyl phosphate | [no description available] | low | 0 | 0 | acyl monophosphate; one-carbon compound | Escherichia coli metabolite; mouse metabolite |
coproporphyrinogen iii | [no description available] | low | 0 | 0 | coproporphyrinogen | Escherichia coli metabolite; mouse metabolite |
1,2-dihydroxy-1,2-dihydronaphthalene | [no description available] | low | 0 | 0 | dihydronaphthalenes; naphthalenediols | bacterial xenobiotic metabolite; mouse metabolite |
phosphonoacetaldehyde | [no description available] | low | 0 | 0 | phosphonic acids | mouse metabolite |
gamma-guanidinobutyric acid | [no description available] | low | 0 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
phosphoglycolate | [no description available] | low | 0 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite; mouse metabolite |
hydrogen selenide | [no description available] | low | 0 | 0 | mononuclear parent hydride; selenium hydride | Escherichia coli metabolite; mouse metabolite |
3,3-dimethylallyl pyrophosphate | [no description available] | low | 0 | 0 | prenol phosphate | epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
diethyl phosphate | [no description available] | low | 0 | 0 | dialkyl phosphate | human xenobiotic metabolite; mouse metabolite |
o,o-diethyl phosphorothionate | [no description available] | low | 0 | 0 | organic thiophosphate | human xenobiotic metabolite; mouse metabolite |
hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione; monocarboxylic acid | metabolite; mouse metabolite |
hydroxymethylbilane | [no description available] | low | 0 | 0 | bilanes | Escherichia coli metabolite; mouse metabolite |
lactaldehyde | [no description available] | low | 0 | 0 | hydroxyaldehyde; propanals | mouse metabolite |
orotic acid | [no description available] | low | 0 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
4-nitrophenol | [no description available] | low | 0 | 0 | 4-nitrophenols | human xenobiotic metabolite; mouse metabolite |
pyridoxine 5-phosphate | [no description available] | low | 0 | 0 | vitamin B6 phosphate | Escherichia coli metabolite; mouse metabolite |
succinic semialdehyde | [no description available] | low | 0 | 0 | aldehydic acid | Escherichia coli metabolite; mouse metabolite |
tartronate semialdehyde | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde | Escherichia coli metabolite; mouse metabolite |
uroporphyrinogen iii | [no description available] | low | 0 | 0 | uroporphyrinogen | Escherichia coli metabolite; mouse metabolite |
isopentenyl pyrophosphate | [no description available] | low | 0 | 0 | prenol phosphate | antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen |
6-hydroxymelatonin | [no description available] | low | 0 | 0 | acetamides; tryptamines | metabolite; mouse metabolite |
adrenic acid | [no description available] | low | 0 | 0 | docosatetraenoic acid | mouse metabolite |
1,7-dimethylxanthine | [no description available] | low | 0 | 0 | dimethylxanthine | central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite |
uridine diphosphate | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
cytidine diphosphate | [no description available] | low | 0 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite |
cytidine triphosphate | [no description available] | low | 0 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
1-naphthaldehyde | [no description available] | low | 0 | 0 | naphthaldehyde | mouse metabolite |
2-naphthaldehyde | [no description available] | low | 0 | 0 | naphthaldehyde | mouse metabolite |
vinylidene chloride | [no description available] | low | 0 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
gibberellic acid | [no description available] | low | 0 | 0 | C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound | mouse metabolite; plant metabolite |
pyridoxic acid | [no description available] | low | 0 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | human urinary metabolite; mouse metabolite |
1-nitronaphthalene | [no description available] | low | 0 | 0 | mononitronaphthalene | environmental contaminant; mouse metabolite |
methylphenyl carbinol | [no description available] | low | 0 | 0 | aromatic alcohol | mouse metabolite |
4-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone | fungal metabolite; mouse metabolite; plant metabolite |
styrene | [no description available] | low | 0 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
2-phenylacetamide | [no description available] | low | 0 | 0 | monocarboxylic acid amide | mouse metabolite |
4-bromophenol | [no description available] | low | 0 | 0 | bromophenol | human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite |
ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
bromobenzene | [no description available] | low | 0 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
2-heptanone | [no description available] | low | 0 | 0 | dialkyl ketone; methyl ketone | mouse metabolite; pheromone |
2,2,2-trichloroethanol | [no description available] | low | 0 | 0 | chloroethanol | mouse metabolite |
D-proline | [no description available] | low | 0 | 0 | D-alpha-amino acid zwitterion; D-alpha-amino acid; proline | mouse metabolite |
paraoxon | [no description available] | low | 0 | 0 | aryl dialkyl phosphate; organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite |
methyl-4-tyramine | [no description available] | low | 0 | 0 | tyramines | mouse metabolite |
phosphoadenosine phosphosulfate | [no description available] | low | 0 | 0 | acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate | Escherichia coli metabolite; mouse metabolite |
adenosine phosphosulfate | [no description available] | low | 0 | 0 | acyl monophosphate; acyl sulfate; adenosine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
fructose-1,6-diphosphate | [no description available] | low | 0 | 0 | D-fructofuranose 1,6-bisphosphate | mouse metabolite |
hydroxyhydroquinone | [no description available] | low | 0 | 0 | benzenetriol | mouse metabolite |
1,2-dihydroxynaphthalene | [no description available] | low | 0 | 0 | naphthalenediol | mouse metabolite |
propiolaldehyde | [no description available] | low | 0 | 0 | terminal acetylenic compound; ynal | mouse metabolite |
phenylphosphate | [no description available] | low | 0 | 0 | aryl phosphate | mouse metabolite |
n-cyclohexylformamide | [no description available] | low | 0 | 0 | alicyclic compound; formamides | mouse metabolite |
deoxycytidine monophosphate | [no description available] | low | 0 | 0 | 2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
nicotinamide mononucleotide | [no description available] | low | 0 | 0 | nicotinamide mononucleotide | Escherichia coli metabolite; mouse metabolite |
dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols; monocarboxylic acid; phenylpropanoid | antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite |
2'-deoxyadenosine triphosphate | [no description available] | low | 0 | 0 | 2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
uridine diphosphate galactose | [no description available] | low | 0 | 0 | UDP-D-galactose | mouse metabolite |
1-naphthalenemethanol | [no description available] | low | 0 | 0 | naphthylmethanol | mouse metabolite |
hydroiodic acid | [no description available] | low | 0 | 0 | gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
trichloroepoxyethane | [no description available] | low | 0 | 0 | epoxide | mouse metabolite |
phosphopantothenic acid | [no description available] | low | 0 | 0 | amidoalkyl phosphate | Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
thymidine 5'-triphosphate | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyuridylic acid | [no description available] | low | 0 | 0 | deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
obtusifoliol | [no description available] | low | 0 | 0 | 14alpha-methyl steroid; 3beta-sterol | mouse metabolite; plant metabolite |
3'-cmp | [no description available] | low | 0 | 0 | cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
7-methylxanthine | [no description available] | low | 0 | 0 | oxopurine; purine alkaloid | human xenobiotic metabolite; mouse metabolite; plant metabolite |
cifostodine | [no description available] | low | 0 | 0 | 2',3'-cyclic pyrimidine nucleotide | Escherichia coli metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
n'-methyl-2-pyridone-5-carboxamide | [no description available] | low | 0 | 0 | methylpyridines; pyridinecarboxamide; pyridone | metabolite; mouse metabolite |
1-methyluric acid | [no description available] | low | 0 | 0 | oxopurine | human xenobiotic metabolite; mouse metabolite |
cyclopropylamine | [no description available] | low | 0 | 0 | primary aliphatic amine | mouse metabolite |
6-hydroxynicotinic acid | [no description available] | low | 0 | 0 | monohydroxypyridine | Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; metabolite; mouse metabolite |
2-naphthalenemethanol | [no description available] | low | 0 | 0 | naphthylmethanol | mouse metabolite; xenobiotic metabolite |
xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid | carcinogenic agent; metabolite; mouse metabolite |
glucose | [no description available] | low | 0 | 0 | D-glucopyranose | mouse metabolite |
1,3,7-trimethylurate | [no description available] | low | 0 | 0 | oxopurine | human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite |
1-methylxanthine | [no description available] | low | 0 | 0 | 1-methylxanthine | mouse metabolite |
3,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | metabolite; mouse metabolite |
d-aspartic acid | [no description available] | low | 0 | 0 | aspartic acid; D-alpha-amino acid | mouse metabolite |
1,7-dimethyluric acid | [no description available] | low | 0 | 0 | oxopurine | human xenobiotic metabolite; mouse metabolite |
24-methylenecholesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol | mouse metabolite |
succinyl-coenzyme a | [no description available] | low | 0 | 0 | omega-carboxyacyl-CoA | Escherichia coli metabolite; inhibitor; mouse metabolite |
acetoacetyl coa | [no description available] | low | 0 | 0 | 3-oxo-fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
2,8-dihydroxyadenine | [no description available] | low | 0 | 0 | 6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine | human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent |
propionyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
stearoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
1-hydroxyphenanthrene | [no description available] | low | 0 | 0 | phenanthrol | mouse metabolite |
2,5-dihydroxypyridine | [no description available] | low | 0 | 0 | dihydroxypyridine | mouse metabolite |
cerium | [no description available] | low | 0 | 0 | cholesteryl ester | mouse metabolite |
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol | [no description available] | low | 0 | 0 | carbobicyclic compound; pinane monoterpenoid; secondary alcohol | GABA modulator; mouse metabolite; plant metabolite; volatile oil component |
ecgonine methyl ester | [no description available] | low | 0 | 0 | methyl ester; tertiary amino compound; tropane alkaloid | analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug |
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | hydroxylamine; imidazopyridine | carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite |
cholest-5-en-3 beta,7 alpha-diol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; oxysterol | mouse metabolite |
s-chloromethylglutathione | [no description available] | low | 0 | 0 | organochlorine compound; S-substituted glutathione | alkylating agent; bacterial xenobiotic metabolite; mouse metabolite |
5-acetylamino-6-formylamino-3-methyluracil | [no description available] | low | 0 | 0 | formamidopyrimidine | mouse metabolite |
5,6-dihydroxyindole | [no description available] | low | 0 | 0 | dihydroxyindole | mouse metabolite |
5,6-dihydroxy-2-indolylcarboxylic acid | [no description available] | low | 0 | 0 | dihydroxyindole | mouse metabolite |
protoporphyrinogen | [no description available] | low | 0 | 0 | porphyrinogens | Escherichia coli metabolite; mouse metabolite |
24-hydroxycholesterol | [no description available] | low | 0 | 0 | 24-hydroxycholesterol | biomarker; human blood serum metabolite; mouse metabolite |
butyryl-coenzyme a | [no description available] | low | 0 | 0 | butanoyl-CoAs | Escherichia coli metabolite; mouse metabolite |
cdp ethanolamine | [no description available] | low | 0 | 0 | nucleotide-(amino alcohol)s; phosphoethanolamine | mouse metabolite |
galactose-1-phosphate | [no description available] | low | 0 | 0 | alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate | Escherichia coli metabolite; mouse metabolite |
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 30:0; tetradecanoate ester | mouse metabolite |
d-glutamine | [no description available] | low | 0 | 0 | amino acid zwitterion; D-alpha-amino acid; glutamine | mouse metabolite |
diquafosol | [no description available] | low | 0 | 0 | pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate | mouse metabolite; P2Y2 receptor agonist |
19-hydroxytestosterone | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid; 19-hydroxy steroid; 3-oxo-Delta(4) steroid | mouse metabolite |
2-hydroxy-1,4-benzoquinone | [no description available] | low | 0 | 0 | monohydroxy-1,4-benzoquinones | mouse metabolite |
sorbitol 6-phosphate | [no description available] | low | 0 | 0 | alditol 6-phosphate; glucitol phosphate | Escherichia coli metabolite; mouse metabolite |
adenosine 3'-phosphate-5'-phosphate | [no description available] | low | 0 | 0 | adenosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
alpha-ribazole | [no description available] | low | 0 | 0 | 1-ribosylbenzimidazole; dimethylbenzimidazole | Escherichia coli metabolite; mouse metabolite |
saicar | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite; mouse metabolite |
thymidine 5'-diphosphate | [no description available] | low | 0 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
hydromethylthionine | [no description available] | low | 0 | 0 | aromatic amine; phenothiazines; tertiary amino compound | bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite |
5-hydroxykynuramine | [no description available] | low | 0 | 0 | hydroxykynurenamine; primary amino compound | mouse metabolite |
sedoheptulose 1,7-bisphosphate | [no description available] | low | 0 | 0 | ketoheptose phosphate; sedoheptulose derivative | Escherichia coli metabolite; mouse metabolite |
carboxyaminoimidazole ribotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazole; aminoimidazole; imidazole-4-carboxylic acid | Escherichia coli metabolite; mouse metabolite |
isovaleryl-coenzyme a | [no description available] | low | 0 | 0 | methylbutanoyl-CoA; short-chain fatty acyl-CoA | mouse metabolite |
lauroyl-coenzyme a | [no description available] | low | 0 | 0 | medium-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
phenylacetyl-coenzyme a | [no description available] | low | 0 | 0 | acyl-CoA | Escherichia coli metabolite; metabolite; mouse metabolite |
5-formamidoimidazole-4-carboxamide ribotide | [no description available] | low | 0 | 0 | 1-(phosphoribosyl)imidazolecarboxamide | Escherichia coli metabolite; mouse metabolite |
campesterol | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols | mouse metabolite |
gamma-glutamyl phosphate | [no description available] | low | 0 | 0 | gamma-glutamyl phosphate | Escherichia coli metabolite; mouse metabolite |
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione | [no description available] | low | 0 | 0 | aminouracil; hydroxypyrimidine | Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
sitosterol, (3beta)-isomer | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol | anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor |
androstane-3,17-dione, (5alpha)-isomer | [no description available] | low | 0 | 0 | 3-oxo-5alpha-steroid; androstane-3,17-dione | mouse metabolite |
21-hydroxypregnenolone | [no description available] | low | 0 | 0 | 21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone | mouse metabolite |
epietiocholanolone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy steroid; androstanoid | androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite |
19-hydroxy-4-androstene-3,17-dione | [no description available] | low | 0 | 0 | 17-oxo steroid; 19-hydroxy steroid; 3-oxo steroid; androstanoid | mouse metabolite |
glyceraldehyde 3-phosphate | [no description available] | low | 0 | 0 | glyceraldehyde 3-phosphate | mouse metabolite |
ribulose 5-phosphate | [no description available] | low | 0 | 0 | ribulose 5-phosphate | mouse metabolite |
xylulose-5-phosphate, (d)-isomer | [no description available] | low | 0 | 0 | xylulose 5-phosphate | Escherichia coli metabolite; mouse metabolite |
glycerate 1,3-biphosphate | [no description available] | low | 0 | 0 | 2,3-bisphosphoglyceric acid; acyl monophosphate | Escherichia coli metabolite; mouse metabolite |
xanthosine 5'-triphosphate | [no description available] | low | 0 | 0 | purine ribonucleoside 5'-triphosphate; xanthosine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
galactose | [no description available] | low | 0 | 0 | D-galactopyranose | epitope; mouse metabolite |
galactose | [no description available] | low | 0 | 0 | D-galactopyranose | mouse metabolite |
s-adenosyl-3-methylthiopropylamine | [no description available] | low | 0 | 0 | adenosines; sulfonium compound | Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite |
6-phosphonoglucono-delta-lactone | [no description available] | low | 0 | 0 | aldonolactone phosphate | Escherichia coli metabolite; mouse metabolite |
ketodihydrosphingosine | [no description available] | low | 0 | 0 | 2-amino-1-hydroxyoctadecan-3-one | mouse metabolite |
androstane-3,17-dione, (5beta)-isomer | [no description available] | low | 0 | 0 | 3-oxo-5beta-steroid; androstane-3,17-dione | mouse metabolite |
pantothenylcysteine 4'-phosphate | [no description available] | low | 0 | 0 | L-cysteine derivative | Escherichia coli metabolite; mouse metabolite |
beta-sulfopyruvic acid | [no description available] | low | 0 | 0 | carboxyalkanesulfonic acid | mouse metabolite |
2-hydroxypropylphosphonic acid | [no description available] | low | 0 | 0 | phosphonic acids; secondary alcohol | mouse metabolite |
inositol-1,4,5,6-tetrakisphosphate | [no description available] | low | 0 | 0 | myo-inositol tetrakisphosphate | mouse metabolite |
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole | [no description available] | low | 0 | 0 | 1-ribosylbenzimidazole; dimethylbenzimidazole; ribose monophosphate | Escherichia coli metabolite; mouse metabolite |
farnesyl pyrophosphate | [no description available] | low | 0 | 0 | farnesyl diphosphate | Escherichia coli metabolite; mouse metabolite |
geranyl pyrophosphate | [no description available] | low | 0 | 0 | polyprenyl diphosphate | Escherichia coli metabolite; mouse metabolite |
1,5-dihydro-fad | [no description available] | low | 0 | 0 | flavin adenine dinucleotide | Escherichia coli metabolite; mouse metabolite |
s-hydroxymethylglutathione | [no description available] | low | 0 | 0 | S-substituted glutathione | Escherichia coli metabolite; mouse metabolite |
geranylgeranyl pyrophosphate | [no description available] | low | 0 | 0 | geranylgeranyl diphosphate | mouse metabolite |
cytidine monophosphate n-acetylneuraminic acid | [no description available] | low | 0 | 0 | CMP-N-acyl-beta-neuraminic acid | mouse metabolite |
4-phosphoerythronate | [no description available] | low | 0 | 0 | 4-phosphoerythronic acid | Escherichia coli metabolite; mouse metabolite |
colfosceril palmitate | [no description available] | low | 0 | 0 | 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0 | mouse metabolite; surfactant |
lyso-pc | [no description available] | low | 0 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine 16:0 | mouse metabolite |
trans-4-coumaric acid | [no description available] | low | 0 | 0 | 4-coumaric acid | food component; mouse metabolite; plant metabolite |
3-hydroxybutyryl-coenzyme a | [no description available] | low | 0 | 0 | 3-hydroxyacyl-CoA; hydroxybutanoyl-CoA | mouse metabolite |
malonyl coenzyme a | [no description available] | low | 0 | 0 | malonyl-CoAs | EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite |
palmitoyl coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
dihydrosphingosine 1-phosphate | [no description available] | low | 0 | 0 | sphingoid 1-phosphate | mouse metabolite |
coniferyl alcohol | [no description available] | low | 0 | 0 | guaiacols; phenylpropanoid | animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component |
raphanusamic acid | [no description available] | low | 0 | 0 | thiazolidinemonocarboxylic acid | Arabidopsis thaliana metabolite; mouse metabolite; xenobiotic metabolite |
glutaryl-coenzyme a | [no description available] | low | 0 | 0 | glutaryl-CoAs | mouse metabolite |
arachidonic acid 5-hydroperoxide | [no description available] | low | 0 | 0 | 5-HPETE | mouse metabolite |
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer | [no description available] | low | 0 | 0 | 15-HPETE | mouse metabolite |
1-palmitoyl-2-oleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; 1-palmitoyl-2-oleoylglycerol | mouse metabolite |
11,12-dihydroxyeicosatrienoic acid | [no description available] | low | 0 | 0 | DHET | mouse metabolite |
14,15-dihydroxyeicosatrienoic acid | [no description available] | low | 0 | 0 | DHET; diol; secondary allylic alcohol | mouse metabolite |
8,9-epoxyeicosatrienoic acid | [no description available] | low | 0 | 0 | EET | mouse metabolite |
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine | mouse metabolite |
cholesteryl oleate | [no description available] | low | 0 | 0 | CE(18:1); cholesteryl octadec-9-enoate | mouse metabolite |
stearidonic acid | [no description available] | low | 0 | 0 | long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid | Daphnia galeata metabolite; mouse metabolite; plant metabolite |
trilinolein | [no description available] | low | 0 | 0 | 1,2-diacyl-3-linoleoylglycerol; 1,3-diacyl-2-linoleoylglycerol; linoleoyl containing 1,2,3-triacyl-sn-glycerol; TG(18:2/18:2/18:2); triglyceride | mouse metabolite |
dimyristoylphosphatidylcholine | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
monodehydroascorbate | [no description available] | low | 0 | 0 | organic radical | mouse metabolite |
oleoyl-coenzyme a | [no description available] | low | 0 | 0 | octadecenoyl-CoA | Escherichia coli metabolite; mouse metabolite |
vitamin a2 | [no description available] | low | 0 | 0 | retinoid; vitamin A | human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite |
1,2-dioleoylphosphatidylserine | [no description available] | low | 0 | 0 | phosphatidylserine(18:1/18:1) | mouse metabolite |
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid | [no description available] | low | 0 | 0 | HEPE | mouse metabolite |
1-stearoyl-2-linoleoylphosphatidylcholine | [no description available] | low | 0 | 0 | phosphatidylcholine 36:2 | mouse metabolite |
1-stearoyl-2-linoleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; diacylglycerol 36:2 | mouse metabolite |
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | phosphatidylcholine 38:6 | mouse metabolite |
13(S)-HODE | [no description available] | low | 0 | 0 | HODE | antineoplastic agent; human xenobiotic metabolite; mouse metabolite |
1-stearoyl-2-oleoyl-sn-glycerol | [no description available] | low | 0 | 0 | 1,2-diacyl-sn-glycerol; 1-stearoyl-2-oleoylglycerol; diacylglycerol 36:1 | mouse metabolite |
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine | [no description available] | low | 0 | 0 | 1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:1 | mouse metabolite |
13-oxo-9,11-octadecadienoic acid | [no description available] | low | 0 | 0 | 13-oxo-9,11-octadecadienoic acid | metabolite; mouse metabolite |
n-stearoylsphingomyelin | [no description available] | low | 0 | 0 | sphingomyelin 36:1; sphingomyelin d18:1 | mouse metabolite |
cholesteryl arachidonate | [no description available] | low | 0 | 0 | cholesteryl icosatetraenoate | antibacterial agent; mouse metabolite |
acryloyl-coenzyme a | [no description available] | low | 0 | 0 | 2-enoyl-CoA; monounsaturated fatty acyl-CoA | mouse metabolite |
samarium | [no description available] | low | 0 | 0 | sphingomyelin d18:1/16:0 | mouse metabolite |
n-palmitoylgalactosylsphingosine | [no description available] | low | 0 | 0 | HexCer(d18:1/16:0); N-acyl-beta-D-galactosylsphingosine | mouse metabolite |
s-tetradecanoyl-coenzyme a | [no description available] | low | 0 | 0 | 11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA | Escherichia coli metabolite; mouse metabolite |
prosomatostatin | [no description available] | low | 0 | 0 | heterodetic cyclic peptide; peptide hormone | fungal metabolite; mouse metabolite; rat metabolite |
phosphatidylcholines | [no description available] | low | 0 | 0 | phosphatidylcholine 40:6 | mouse metabolite |
cyclosporine | [no description available] | low | 0 | 0 | keto-disaccharide | mouse metabolite |
g(m3) ganglioside | [no description available] | low | 0 | 0 | alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide | mouse metabolite |
diguanosine tetraphosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyguanosine 5'-phosphate | [no description available] | low | 0 | 0 | deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate | Escherichia coli metabolite; mouse metabolite |
dihydroneopterin triphosphate | [no description available] | low | 0 | 0 | dihydropterin; neopterins; pterin phosphate | Escherichia coli metabolite; mouse metabolite |
2'-deoxyinosine triphosphate | [no description available] | low | 0 | 0 | deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
gdp-4-keto-6-deoxymannose | [no description available] | low | 0 | 0 | GDP-sugar | Escherichia coli metabolite; mouse metabolite |
guanosine pentaphosphate | [no description available] | low | 0 | 0 | guanosine 5'-phosphate; guanosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
guanosine tetraphosphate | [no description available] | low | 0 | 0 | guanosine bisphosphate | Escherichia coli metabolite; mouse metabolite |
5,10-methenyltetrahydrofolate | [no description available] | low | 0 | 0 | methylenetetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
10-formyltetrahydrofolate | [no description available] | low | 0 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite; mouse metabolite |
1-(2-trifluoromethylphenyl)imidazole | [no description available] | low | 0 | 0 | imidazoles | |
4-imidazolemethanol | [no description available] | low | 0 | 0 | imidazoles; primary alcohol | |
alosetron | [no description available] | low | 0 | 0 | imidazoles; pyridoindole | antiemetic; gastrointestinal drug; serotonergic antagonist |
cgp 20712a | [no description available] | low | 0 | 0 | imidazoles | |
dacarbazine | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent; carcinogenic agent; prodrug |
dimetridazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | antiparasitic agent; antiprotozoal drug |
etanidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent |
flutrimazole | [no description available] | low | 0 | 0 | imidazole antifungal drug; imidazoles; monofluorobenzenes | EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
isoconazole | [no description available] | low | 0 | 0 | dichlorobenzene; ether; imidazoles | |
sb 239063 | [no description available] | low | 0 | 0 | imidazoles | |
sk&f 86002 | [no description available] | low | 0 | 0 | imidazoles | |
sulconazole | [no description available] | low | 0 | 0 | dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide | |
tioconazole | [no description available] | low | 0 | 0 | dichlorobenzene; ether; imidazoles; thiophenes | |
azomycin | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | antitubercular agent |
5-methylbenzimidazole | [no description available] | low | 0 | 0 | imidazoles | |
2-methyl-5-nitroimidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
zolimidine | [no description available] | low | 0 | 0 | imidazoles | |
1,2-dimethylimidazole | [no description available] | low | 0 | 0 | imidazoles | |
4-nitroimidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
metomidate | [no description available] | low | 0 | 0 | imidazoles | |
nimorazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
ipronidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
lofexidine | [no description available] | low | 0 | 0 | aromatic ether; carboxamidine; dichlorobenzene; imidazoles | alpha-adrenergic agonist; antihypertensive agent |
benzonidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles; monocarboxylic acid amide | antiprotozoal drug |
enilconazole | [no description available] | low | 0 | 0 | dichlorobenzene; ether; imidazoles | |
climbazole | [no description available] | low | 0 | 0 | aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes | |
butoconazole nitrate | [no description available] | low | 0 | 0 | aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt | |
butoconazole | [no description available] | low | 0 | 0 | aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes | |
fenticonazole | [no description available] | low | 0 | 0 | aryl sulfide; dichlorobenzene; ether; imidazoles | |
2-(2-methoxy-4-(methylsulfinyl)phenyl)-1h-imidazo(4,5-c)pyridine | [no description available] | low | 0 | 0 | imidazoles | |
5-imidazolepropionic acid | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid | |
nitrefazole | [no description available] | low | 0 | 0 | imidazoles | |
eberconazole | [no description available] | low | 0 | 0 | dibenzannulene; imidazoles; organochlorine compound | |
prochloraz | [no description available] | low | 0 | 0 | amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas | antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic |
5-(3-methyl-1-triazeno)imidazole-4-carboxamide | [no description available] | low | 0 | 0 | imidazoles; monocarboxylic acid amide; triazene derivative | alkylating agent; antineoplastic agent |
1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
histidinal | [no description available] | low | 0 | 0 | amino aldehyde; imidazoles | |
tipifarnib | [no description available] | low | 0 | 0 | imidazoles; monochlorobenzenes; primary amino compound; quinolone | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
cimicoxib | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide | cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug |
dabuzalgron | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; monochlorobenzenes; sulfonamide | alpha-adrenergic agonist |
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 |
1-methylpropyl-2-imidazolyl disulfide | [no description available] | low | 0 | 0 | imidazoles | |
2-pentan-3-yl-1H-imidazole | [no description available] | low | 0 | 0 | imidazoles | |
2-(1-adamantyl)imidazole | [no description available] | low | 0 | 0 | imidazoles | |
6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole | [no description available] | low | 0 | 0 | imidazoles | |
bromodeoxytopsentin | [no description available] | low | 0 | 0 | aromatic ketone; bromoindole; imidazoles; indole alkaloid | antibacterial agent; EC 2.7.1.40 (pyruvate kinase) inhibitor; marine metabolite |
pifithrin-beta | [no description available] | low | 0 | 0 | imidazoles | |
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 |
s 1033 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide | anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor |
N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamide | [no description available] | low | 0 | 0 | imidazoles | |
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone | [no description available] | low | 0 | 0 | imidazoles | |
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide | [no description available] | low | 0 | 0 | imidazoles | |
2-(4-chlorophenyl)-3-(2-furanylmethyl)imidazo[4,5-b]quinoxaline | [no description available] | low | 0 | 0 | imidazoles | |
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline | [no description available] | low | 0 | 0 | imidazoles | |
4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol | [no description available] | low | 0 | 0 | imidazoles | |
aeg 3482 | [no description available] | low | 0 | 0 | imidazoles | |
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine | [no description available] | low | 0 | 0 | imidazoles | |
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one | [no description available] | low | 0 | 0 | imidazoles | |
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine | [no description available] | low | 0 | 0 | imidazoles | |
N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl ester | [no description available] | low | 0 | 0 | imidazoles | |
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide | [no description available] | low | 0 | 0 | imidazoles | |
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide | [no description available] | low | 0 | 0 | imidazoles | |
2-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehyde | [no description available] | low | 0 | 0 | imidazoles | |
N-(2-phenyl-6-imidazo[1,2-a]pyridinyl)acetamide | [no description available] | low | 0 | 0 | imidazoles | |
N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester | [no description available] | low | 0 | 0 | imidazoles | |
2-(2-furanyl)-3-(4-methylphenyl)imidazo[4,5-b]quinoxaline | [no description available] | low | 0 | 0 | imidazoles | |
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamide | [no description available] | low | 0 | 0 | imidazoles | |
4-chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol | [no description available] | low | 0 | 0 | imidazoles | |
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamine | [no description available] | low | 0 | 0 | imidazoles | |
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamide | [no description available] | low | 0 | 0 | imidazoles | |
5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole | [no description available] | low | 0 | 0 | imidazoles | |
2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline | [no description available] | low | 0 | 0 | imidazoles | |
2-(4-methylsulfonylphenyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl ester | [no description available] | low | 0 | 0 | imidazoles | |
1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea | [no description available] | low | 0 | 0 | imidazoles | |
4,5-dichloro-2-methyl-1-(2-phenoxyethyl)imidazole | [no description available] | low | 0 | 0 | imidazoles | |
2-Chloro-6-(1H-imidazol-1-yl)benzonitrile | [no description available] | low | 0 | 0 | imidazoles | |
[1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol | [no description available] | low | 0 | 0 | imidazoles | |
2-(1-benzyl-1H-imidazol-5-yl)phenol | [no description available] | low | 0 | 0 | imidazoles | |
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazole | [no description available] | low | 0 | 0 | imidazoles | |
2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine | [no description available] | low | 0 | 0 | imidazoles | |
6-methyl-2-[4-(1-piperidinylsulfonyl)phenyl]imidazo[1,2-a]pyridine | [no description available] | low | 0 | 0 | imidazoles | |
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole | [no description available] | low | 0 | 0 | imidazoles | |
carnidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
2-methoxy-4-[5-methyl-3-(2-oxolanylmethylamino)-2-imidazo[1,2-a]pyridinyl]phenol | [no description available] | low | 0 | 0 | imidazoles | |
4-[3-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenol | [no description available] | low | 0 | 0 | imidazoles | |
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone | [no description available] | low | 0 | 0 | imidazoles | |
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamide | [no description available] | low | 0 | 0 | imidazoles | |
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-2-imidazo[2,1-b]thiazolecarboxamide | [no description available] | low | 0 | 0 | imidazoles | |
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide | [no description available] | low | 0 | 0 | imidazoles | |
4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | imidazoles | |
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-imidazo[1,2-a]pyrimidinyl]phenol | [no description available] | low | 0 | 0 | imidazoles | |
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one | [no description available] | low | 0 | 0 | imidazoles | |
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide | [no description available] | low | 0 | 0 | imidazoles | |
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole | [no description available] | low | 0 | 0 | imidazoles | |
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine | [no description available] | low | 0 | 0 | imidazoles | |
1-[4-(2-chlorophenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; monochlorobenzenes | |
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenol | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole | [no description available] | low | 0 | 0 | imidazoles | |
4-[(7-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]morpholine | [no description available] | low | 0 | 0 | imidazoles | |
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide | [no description available] | low | 0 | 0 | benzamides; benzodioxoles; imidazoles; pyridines | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]ethanone | [no description available] | low | 0 | 0 | imidazoles | |
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide | [no description available] | low | 0 | 0 | imidazoles | |
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide | [no description available] | low | 0 | 0 | imidazoles | |
2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamide | [no description available] | low | 0 | 0 | imidazoles | |
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide | [no description available] | low | 0 | 0 | imidazoles | |
neticonazole | [no description available] | low | 0 | 0 | aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide | antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide | [no description available] | low | 0 | 0 | imidazoles | |
N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide | [no description available] | low | 0 | 0 | imidazoles | |
oxiconazole | [no description available] | low | 0 | 0 | conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether | antiinfective agent |
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | imidazoles | |
d 4476 | [no description available] | low | 0 | 0 | imidazoles | |
azanidazole | [no description available] | low | 0 | 0 | C-nitro compound; imidazoles | |
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine | [no description available] | low | 0 | 0 | imidazoles | |
N-[5-(2-imidazo[1,2-a]pyrimidinyl)-2-methoxyphenyl]-2-methylpropanamide | [no description available] | low | 0 | 0 | imidazoles | |
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol | [no description available] | low | 0 | 0 | imidazoles | |
2-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)-3-imidazo[1,2-a]pyrimidinamine | [no description available] | low | 0 | 0 | imidazoles | |
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine | [no description available] | low | 0 | 0 | imidazoles | |
sb-505124 | [no description available] | low | 0 | 0 | benzodioxole; imidazoles; methylpyridines | TGFbeta receptor antagonist |
cyazofamid | [no description available] | low | 0 | 0 | imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide | antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor |
npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
l-779,450 | [no description available] | low | 0 | 0 | imidazoles | |
chir 99021 | [no description available] | low | 0 | 0 | aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound | EC 2.7.11.26 (tau-protein kinase) inhibitor |
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylaniline | [no description available] | low | 0 | 0 | imidazoles | |
eluxadoline | [no description available] | low | 0 | 0 | amino acid amide; benzamides; imidazoles; L-phenylalanine derivative; methoxybenzoic acid | delta-opioid receptor antagonist; gastrointestinal drug; kappa-opioid receptor agonist; mu-opioid receptor agonist |
cenicriviroc | [no description available] | low | 0 | 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 |
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine | [no description available] | low | 0 | 0 | aminopyrimidine; imidazoles; monofluorobenzenes | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
cefpodoxime | [no description available] | low | 0 | 0 | imidazoles | |
sgi 1776 | [no description available] | low | 0 | 0 | imidazoles | |
bms-790052 | [no description available] | low | 0 | 0 | biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative | antiviral drug; nonstructural protein 5A inhibitor |
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile | [no description available] | low | 0 | 0 | imidazoles | |
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 |
ledipasvir | [no description available] | low | 0 | 0 | azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound | antiviral drug; hepatitis C protease inhibitor |
gs-5816 | [no description available] | low | 0 | 0 | carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor |
mk-8742 | [no description available] | low | 0 | 0 | carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly | antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent |
sb-590885 | [no description available] | low | 0 | 0 | aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound | |
vanillylamine | [no description available] | low | 0 | 0 | aralkylamino compound | |
4-methoxybenzylamine | [no description available] | low | 0 | 0 | aralkylamino compound; aromatic ether; primary amino compound | |