| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| benzene | [no description available] | medium | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| benzyl alcohol | [no description available] | medium | 4 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
| catechol | [no description available] | medium | 4 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| acetanilide | [no description available] | medium | 4 | 0 | acetamides;
anilide | analgesic |
| naphthalene | [no description available] | medium | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| phenol | [no description available] | medium | 5 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
| toluene | [no description available] | medium | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| albuterol | [no description available] | medium | 3 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| betaxolol | [no description available] | medium | 2 | 0 | propanolamine | antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| isoproterenol | [no description available] | medium | 4 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| metaproterenol | [no description available] | medium | 2 | 0 | aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound | |
| practolol | [no description available] | medium | 2 | 0 | acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
beta-adrenergic antagonist |
| pronethalol | [no description available] | medium | 1 | 0 | naphthalenes | |
| resorcinol | [no description available] | medium | 3 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
| salicyl alcohol | [no description available] | medium | 2 | 0 | aromatic primary alcohol;
hydroxybenzyl alcohol | human urinary metabolite |
| sotalol | [no description available] | medium | 2 | 0 | ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide | anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic |
| terbutaline | [no description available] | medium | 2 | 0 | phenylethanolamines;
resorcinols | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent |
| tulobuterol | [no description available] | medium | 2 | 0 | organochlorine compound | |
| 2-aminophenol | [no description available] | medium | 3 | 0 | aminophenol | bacterial metabolite |
| nifenalol | [no description available] | medium | 1 | 0 | C-nitro compound | |
| 2,6-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
| nitrobenzene | [no description available] | medium | 1 | 0 | nitroarene;
nitrobenzenes | |
| benzonitrile | [no description available] | medium | 1 | 0 | benzenes;
nitrile | |
| n-propylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
| 3-xylene | [no description available] | medium | 1 | 0 | xylene | |
| chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
| sec-butylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
| toliprolol | [no description available] | medium | 1 | 0 | aromatic ether | |
| deterenol | [no description available] | medium | 1 | 0 | | |
| colterol | [no description available] | medium | 1 | 0 | catechols;
ethanolamines;
secondary alcohol;
secondary amino compound;
triol | anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent |
| prenalterol | [no description available] | medium | 1 | 0 | aromatic ether | |
| dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
| propranolol hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| cyclopropylbenzene | [no description available] | medium | 1 | 0 | | |
| salicyl hydrazide | [no description available] | medium | 1 | 0 | | |
| n,n'-bis(salicyl)hydrazine | [no description available] | medium | 1 | 0 | | |
| 4-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
| benzoic acid | [no description available] | medium | 5 | 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 |
| butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
| salicylic acid | [no description available] | medium | 34 | 0 | 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 | 2 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
| octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite |
| 4-aminophenol | [no description available] | medium | 2 | 0 | aminophenol | allergen;
metabolite |
| hydroquinone | [no description available] | medium | 3 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
| methanol | [no description available] | medium | 4 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| n,n-dimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline;
tertiary amine | |
| 4-nitrophenol | [no description available] | medium | 2 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
| pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol;
phenolic donor | plant metabolite |
| tryptophan | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid | Daphnia magna metabolite |
| vanillin | [no description available] | medium | 1 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
| catechin | [no description available] | medium | 2 | 0 | hydroxyflavan | |
| menthol | [no description available] | medium | 3 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| 2-aminofluorene | [no description available] | medium | 2 | 0 | | |
| homovanillic acid | [no description available] | medium | 1 | 0 | guaiacols;
monocarboxylic acid | human metabolite;
mouse metabolite |
| 6-hydroxymelatonin | [no description available] | medium | 1 | 0 | acetamides;
tryptamines | metabolite;
mouse metabolite |
| oxyquinoline | [no description available] | medium | 3 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| acetaminophen | [no description available] | high | 24 | 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] | high | 24 | 1 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| aspirin | [no description available] | medium | 36 | 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 | 36 | 1 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| beta-naphthoflavone | [no description available] | medium | 1 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| bumetanide | [no description available] | medium | 4 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| carbamazepine | [no description available] | medium | 4 | 0 | dibenzoazepine;
ureas | analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic |
| chlorpheniramine | [no description available] | medium | 4 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor |
| chlorpromazine | [no description available] | medium | 3 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| ciprofibrate | [no description available] | medium | 2 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clofibrate | [no description available] | medium | 2 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clofibric acid | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
| 4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide | [no description available] | medium | 2 | 0 | sulfonamide | |
| 4-cresol | [no description available] | medium | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
| cyproheptadine | [no description available] | medium | 2 | 0 | piperidines;
tertiary amine | anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist |
| danthron | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| dapsone | [no description available] | medium | 4 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| decanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component |
| desipramine | [no description available] | medium | 2 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
| diflunisal | [no description available] | medium | 4 | 0 | monohydroxybenzoic acid;
organofluorine compound | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| diphenhydramine | [no description available] | medium | 2 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
| valproic acid | [no description available] | medium | 4 | 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 |
| doxepin | [no description available] | medium | 2 | 0 | dibenzooxepine;
tertiary amino compound | antidepressant |
| doxylamine | [no description available] | medium | 2 | 0 | pyridines;
tertiary amine | anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative |
| emodin | [no description available] | medium | 1 | 0 | trihydroxyanthraquinone | antineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor |
| ethacrynic acid | [no description available] | medium | 4 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| fenoprofen | [no description available] | medium | 1 | 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 | 2 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| fluphenazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| fluorescite | [no description available] | medium | 1 | 0 | benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye | fluorescent dye;
radioopaque medium |
| furosemide | [no description available] | medium | 5 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| ibuprofen | [no description available] | medium | 5 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| imipramine | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| indomethacin | [no description available] | medium | 8 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| ketoprofen | [no description available] | medium | 6 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| ketotifen | [no description available] | medium | 2 | 0 | cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound | anti-asthmatic drug;
H1-receptor antagonist |
| labetalol | [no description available] | medium | 3 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| lamotrigine | [no description available] | medium | 3 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| lauric acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite |
| lorazepam | [no description available] | medium | 1 | 0 | benzodiazepine | |
| losartan | [no description available] | medium | 3 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| loxapine | [no description available] | medium | 1 | 0 | dibenzooxazepine | antipsychotic agent;
dopaminergic antagonist |
| meperidine | [no description available] | medium | 3 | 0 | ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound | antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic |
| mesalamine | [no description available] | medium | 5 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| mexiletine | [no description available] | medium | 1 | 0 | aromatic ether;
primary amino compound | anti-arrhythmia drug |
| mitoxantrone | [no description available] | medium | 2 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| nortriptyline | [no description available] | medium | 2 | 0 | organic tricyclic compound;
secondary amine | adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite |
| oxazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
| oxyphenbutazone | [no description available] | high | 4 | 0 | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite |
| aminosalicylic acid | [no description available] | medium | 4 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pheniramine | [no description available] | medium | 1 | 0 | pyridines;
tertiary amino compound | |
| phenobarbital | [no description available] | medium | 4 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| phenolphthalein | [no description available] | medium | 3 | 0 | phenols | |
| phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone | acid-base indicator;
diagnostic agent;
two-colour indicator |
| phenylbutazone | [no description available] | medium | 3 | 0 | pyrazolidines | antirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| probenecid | [no description available] | medium | 4 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| promethazine | [no description available] | medium | 4 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propofol | [no description available] | medium | 2 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| propranolol | [no description available] | medium | 4 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| propyl gallate | [no description available] | medium | 2 | 0 | trihydroxybenzoic acid | |
| pyrilamine | [no description available] | medium | 2 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| 1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| sulfadimethoxine | [no description available] | medium | 4 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfathiazole | [no description available] | medium | 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 |
| sulfinpyrazone | [no description available] | medium | 2 | 0 | pyrazolidines;
sulfoxide | uricosuric drug |
| 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 |
| temazepam | [no description available] | medium | 2 | 0 | benzodiazepine | |
| terfenadine | [no description available] | medium | 4 | 0 | diarylmethane | |
| thonzylamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| tiaprofenic acid | [no description available] | medium | 2 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | drug allergen;
non-steroidal anti-inflammatory drug |
| trifluoperazine | [no description available] | medium | 2 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| triflupromazine | [no description available] | medium | 3 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| tripelennamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| zomepirac | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug |
| corticosterone | [no description available] | medium | 3 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| estriol | [no description available] | medium | 4 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
| thyroxine | [no description available] | medium | 2 | 0 | 2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine | antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone |
| aldosterone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
| tetrahydrocortisol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3alpha-hydroxy steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | |
| prednisone | [no description available] | medium | 3 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| tetrahydrocortisone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| estrone | [no description available] | medium | 5 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| androsterone | [no description available] | medium | 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 |
| etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid | human metabolite;
mouse metabolite |
| dehydroepiandrosterone | [no description available] | medium | 2 | 0 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
| hydroxyacetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | |
| triiodothyronine | [no description available] | medium | 3 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| benz(a)anthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene;
tetraphenes | |
| chloramphenicol | [no description available] | medium | 4 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| ethinyl estradiol | [no description available] | medium | 4 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| aniline | [no description available] | medium | 1 | 0 | anilines;
primary arylamine | |
| desoxycorticosterone | [no description available] | medium | 4 | 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 | 3 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| norethynodrel | [no description available] | medium | 3 | 0 | oxo steroid | |
| 17-alpha-hydroxyprogesterone | [no description available] | medium | 3 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| ampicillin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
| alizarin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
| linalool | [no description available] | medium | 2 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
| 1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
| cyclizine | [no description available] | medium | 1 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
| 2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
| 9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
| thymol | [no description available] | medium | 3 | 0 | monoterpenoid;
phenols | volatile oil component |
| 1-naphthol | [no description available] | medium | 2 | 0 | naphthol | genotoxin;
human xenobiotic metabolite |
| 2-aminodiphenyl | [no description available] | medium | 1 | 0 | | |
| 2-phenylphenol | [no description available] | medium | 2 | 0 | hydroxybiphenyls | antifungal agrochemical;
environmental food contaminant |
| quinoline | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
| 2-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | carcinogenic agent |
| 4-biphenylamine | [no description available] | medium | 1 | 0 | aminobiphenyl | carcinogenic agent |
| 4-phenylphenol | [no description available] | medium | 2 | 0 | hydroxybiphenyls | |
| benzidine | [no description available] | medium | 1 | 0 | biphenyls;
substituted aniline | carcinogenic agent |
| 4,4'-dihydroxybiphenyl | [no description available] | medium | 2 | 0 | hydroxybiphenyls | |
| propylparaben | [no description available] | medium | 3 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| butylphen | [no description available] | medium | 1 | 0 | phenols | allergen |
| methylparaben | [no description available] | medium | 3 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
| 4-isopropylphenol | [no description available] | medium | 1 | 0 | phenols | flavouring agent |
| 4-hydroxyacetophenone | [no description available] | medium | 1 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
| 4-benzylphenol | [no description available] | medium | 2 | 0 | | |
| 2-ethylhexanol | [no description available] | medium | 1 | 0 | primary alcohol | plant metabolite;
volatile oil component |
| 2,2,2-trichloroethanol | [no description available] | medium | 1 | 0 | chloroethanol | mouse metabolite |
| anthrarufin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
| 2-toluic acid | [no description available] | medium | 1 | 0 | methylbenzoic acid | xenobiotic metabolite |
| ethyl-p-hydroxybenzoate | [no description available] | medium | 2 | 0 | ethyl ester;
paraben | antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite |
| 3-tert-butyl-4-hydroxyanisole | [no description available] | medium | 1 | 0 | aromatic ether;
phenols | antioxidant;
human xenobiotic metabolite |
| 1-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | human xenobiotic metabolite |
| 2-naphthol | [no description available] | medium | 3 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
| shikimic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| citronellol | [no description available] | medium | 1 | 0 | monoterpenoid | plant metabolite |
| hexanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | human metabolite;
plant metabolite |
| pregnenolone | [no description available] | medium | 2 | 0 | 20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid | human metabolite;
mouse metabolite |
| ditiocarb | [no description available] | medium | 2 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| mequinol | [no description available] | medium | 2 | 0 | methoxybenzenes;
phenols | metabolite |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| phenetidine | [no description available] | medium | 1 | 0 | aromatic ether;
primary amino compound;
substituted aniline | drug metabolite |
| 4-hydroxyphenobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| lithocholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| chenodeoxycholic acid | [no description available] | medium | 2 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| epitestosterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen antagonist;
human metabolite |
| chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
| carvacrol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
| androstenediol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid | androgen;
human metabolite;
mouse metabolite;
radiation protective agent |
| dihydrotestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| 1,2,3,4-tetrahydro-1-naphthalenol | [no description available] | medium | 1 | 0 | | |
| 4-iodophenol | [no description available] | medium | 1 | 0 | iodophenol | |
| myristic acid | [no description available] | 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 |
| 4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol | [no description available] | medium | 2 | 0 | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component |
| 3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols;
monohydroxyflavone | |
| 6-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline | |
| 3-hydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
| diphenylamine | [no description available] | medium | 1 | 0 | aromatic amine;
bridged diphenyl fungicide;
secondary amino compound | antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger |
| alpha-naphthoflavone | [no description available] | medium | 3 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor |
| 4-propylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| hexafluoroisopropanol | [no description available] | medium | 1 | 0 | organofluorine compound;
secondary alcohol | drug metabolite |
| d-alpha tocopherol | [no description available] | medium | 2 | 0 | alpha-tocopherol | algal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite |
| fenchol | [no description available] | medium | 1 | 0 | | |
| 4-n-Butylphenol | [no description available] | medium | 1 | 0 | phenols | |
| 4-hydroxyazobenzene | [no description available] | medium | 1 | 0 | | |
| 4-nitrothiophenolate | [no description available] | medium | 1 | 0 | | |
| 5 alpha-androstane-3 alpha,17 beta-diol | [no description available] | medium | 2 | 0 | androstane-3alpha,17beta-diol | Daphnia magna metabolite;
human metabolite |
| menthol | [no description available] | medium | 1 | 0 | p-menthan-3-ol | antipruritic drug;
antispasmodic drug;
antitussive |
| hydroxyphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
phenols | metabolite |
| mono-(2-ethylhexyl)phthalate | [no description available] | medium | 1 | 0 | phthalic acid monoester | |
| 1-naphthalenemethanol | [no description available] | medium | 1 | 0 | naphthylmethanol | mouse metabolite |
| dexpropranolol | [no description available] | medium | 1 | 0 | propranolol | |
| butylated hydroxyanisole | [no description available] | medium | 1 | 0 | | |
| 3-hydroxybenzo(a)pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | |
| 4-n-Pentylphenol | [no description available] | medium | 1 | 0 | phenols | |
| 9-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| daunorubicin | [no description available] | medium | 2 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| n-phenylethanolamine | [no description available] | medium | 1 | 0 | aralkylamine | |
| 4-ethylphenol | [no description available] | medium | 1 | 0 | phenols | fungal xenobiotic metabolite |
| ursodeoxycholic acid | [no description available] | medium | 3 | 0 | bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| pregnanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid | human metabolite;
intravenous anaesthetic;
sedative |
| butylated hydroxytoluene | [no description available] | medium | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| zidovudine | [no description available] | medium | 3 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| 6-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| dexibuprofen | [no description available] | medium | 1 | 0 | ibuprofen | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| benoxaprofen | [no description available] | medium | 3 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| 2-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite |
| 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol | [no description available] | medium | 2 | 0 | stilbenoid | |
| 2',7'-dichlorofluorescein | [no description available] | medium | 1 | 0 | 2-benzofurans | fluorochrome |
| 16-hydroxytestosterone | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol | androgen |
| 2-methoxyestradiol | [no description available] | medium | 3 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid | angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite |
| 5,6,7,8-tetrahydro-1-naphthol | [no description available] | medium | 1 | 0 | tetralins | |
| alfatradiol | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
3-hydroxy steroid;
estradiol | estrogen;
geroprotector |
| 4-hydroxyquinoline | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinolone | |
| 17-alpha-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| 5-(3-hydroxyphenyl)-5-phenylhydantoin | [no description available] | medium | 1 | 0 | | |
| 7-amino-4-methylcoumarin | [no description available] | medium | 1 | 0 | 7-aminocoumarins | fluorochrome |
| 11-hydroxyprogesterone, (11alpha)-isomer | [no description available] | medium | 2 | 0 | 11alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid | |
| brexanolone | [no description available] | medium | 1 | 0 | 3-hydroxy-5alpha-pregnan-20-one | antidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative |
| 3,5-diiodothyronine, (l)-isomer | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
| harmol hydrochloride | [no description available] | medium | 1 | 0 | | |
| diosgenin | [no description available] | medium | 1 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | medium | 1 | 0 | sapogenin | gout suppressant;
plant metabolite |
| 3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one | [no description available] | medium | 1 | 0 | 17alpha-hydroxy steroid;
20-oxo steroid;
3alpha-hydroxy steroid;
C21-steroid;
corticosteroid hormone | human urinary metabolite |
| 2-methoxyestriol | [no description available] | medium | 1 | 0 | | |
| 2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | medium | 1 | 0 | hydroxylamine;
imidazopyridine | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite |
| ecopipam | [no description available] | medium | 1 | 0 | benzazepine | |
| ibuprofen, (r)-isomer | [no description available] | medium | 1 | 0 | ibuprofen | |
| 11-hydroxytestosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid | bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite |
| norbuprenorphine | [no description available] | medium | 1 | 0 | phenanthrenes | |
| benzo(a)pyrene-3,6-quinol | [no description available] | medium | 1 | 0 | | |
| naproxen | [no description available] | medium | 4 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| cortolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| carbocysteine | [no description available] | medium | 1 | 0 | L-cysteine thioether;
non-proteinogenic L-alpha-amino acid | mucolytic |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| 5 alpha-androstane-3 beta,17 beta-diol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol | Daphnia magna metabolite;
human metabolite |
| cortol | [no description available] | medium | 1 | 0 | 21-hydroxy steroid | |
| 21-hydroxypregnenolone | [no description available] | medium | 1 | 0 | 21-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone | mouse metabolite |
| 2-hydroxyestradiol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
2-hydroxy steroid | carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug |
| epietiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3beta-hydroxy steroid;
androstanoid | androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite |
| naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| 2-hydroxyestrone | [no description available] | medium | 1 | 0 | 2-hydroxy steroid;
catechols | human metabolite |
| epiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3beta-hydroxy steroid;
androstanoid | androgen;
human metabolite |
| naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside | anti-inflammatory agent;
antineoplastic agent;
metabolite |
| 1-alpha-terpineol | [no description available] | medium | 1 | 0 | alpha-terpineol | plant metabolite |
| diprenorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| ergosterol | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols | fungal metabolite;
Saccharomyces cerevisiae metabolite |
| tretinoin | [no description available] | medium | 4 | 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 |
| retinol | [no description available] | medium | 2 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| ferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| mycophenolic acid | [no description available] | medium | 2 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| diethylstilbestrol | [no description available] | medium | 3 | 0 | olefinic compound;
polyphenol | antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen |
| geraniol | [no description available] | medium | 2 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| dienestrol | [no description available] | medium | 2 | 0 | | |
| captax | [no description available] | medium | 1 | 0 | aryl thiol;
benzothiazoles | carcinogenic agent;
metabolite |
| thiothixene | [no description available] | medium | 3 | 0 | N-methylpiperazine | anticoronaviral agent |
| chlorogenic acid | [no description available] | medium | 1 | 0 | cinnamate ester;
tannin | food component;
plant metabolite |
| sch 23390 | [no description available] | medium | 1 | 0 | benzazepine | |
| digitoxigenin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid;
3beta-hydroxy steroid | |
| quercetin | [no description available] | medium | 2 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger |
| bilirubin | [no description available] | medium | 3 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| apigenin | [no description available] | medium | 1 | 0 | trihydroxyflavone | antineoplastic agent;
metabolite |
| scopoletin | [no description available] | medium | 1 | 0 | hydroxycoumarin | plant growth regulator;
plant metabolite |
| hymecromone | [no description available] | medium | 1 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
| vitamin d 2 | [no description available] | medium | 1 | 0 | hydroxy seco-steroid;
seco-ergostane;
vitamin D | bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide |
| cholecalciferol | [no description available] | medium | 2 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| esculetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
| 7-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| baicalein | [no description available] | medium | 2 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
| 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 |
| 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 |
| galangin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
trihydroxyflavone | antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite |
| 4-hydroxyestradiol | [no description available] | medium | 2 | 0 | 4-hydroxy steroid | metabolite |
| isotretinoin | [no description available] | medium | 2 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
teratogenic agent |
| hyodeoxycholic acid | [no description available] | medium | 1 | 0 | 5beta-cholanic acids;
6alpha,20xi-murideoxycholic acid;
bile acid;
C24-steroid | human metabolite;
mouse metabolite |
| codeine | [no description available] | medium | 5 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| hydromorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | mu-opioid receptor agonist;
opioid analgesic |
| nalmefene | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
| nalorphine | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
| naloxone | [no description available] | medium | 3 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
| oxycodone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
semisynthetic derivative | antitussive;
mu-opioid receptor agonist;
opioid analgesic |
| oxymorphone | [no description available] | medium | 2 | 0 | morphinane alkaloid | |
| 6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 2 | 0 | 6alpha-hydroxy steroid | |
| morphine | [no description available] | medium | 5 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
| nalbuphine | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound | mu-opioid receptor antagonist;
opioid analgesic |
| cinnamyl alcohol | [no description available] | medium | 1 | 0 | cinnamyl alcohol | plant metabolite |
| levorphanol | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| naltrexone | [no description available] | medium | 3 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
| normorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| naltrindole benzofuran | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| naltrindole | [no description available] | medium | 1 | 0 | isoquinolines | |
| 19-hydroxycholesterol | [no description available] | medium | 1 | 0 | cholestanoid | |
| borneol | [no description available] | medium | 1 | 0 | borneol | |
| norcodeine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| 4-hydroxyestrone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid | carcinogenic agent;
estrogen;
human urinary metabolite |
| 11 beta-hydroxyandrosterone | [no description available] | medium | 1 | 0 | 3-hydroxy steroid | androgen |
| 2-hydroxyestriol | [no description available] | medium | 1 | 0 | | |
| novobiocin | [no description available] | medium | 2 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| tetracycline | [no description available] | medium | 3 | 0 | | |
| 4-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
| rifampin | [no description available] | medium | 2 | 0 | cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion | angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor |
| clozapine | [no description available] | medium | 4 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
| norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist |
| acetohydroxamic acid | [no description available] | medium | 3 | 0 | acetohydroxamic acids;
carbohydroximic acid | algal metabolite;
EC 3.5.1.5 (urease) inhibitor |
| hydroxyurea | [no description available] | medium | 2 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| 3-mercaptopropionic acid | [no description available] | medium | 1 | 0 | mercaptopropanoic acid | algal metabolite |
| benzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
| n-hydroxyurethane | [no description available] | medium | 1 | 0 | | |
| 4-phenylpyridine | [no description available] | medium | 1 | 0 | phenylpyridine | |
| 2-acetylpyridine | [no description available] | medium | 1 | 0 | aromatic ketone | |
| 4,4,4-trifluoro-1-phenyl-1,3-butanedione | [no description available] | medium | 1 | 0 | | |
| flutamide | [no description available] | medium | 4 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide | androgen antagonist;
antineoplastic agent |
| nilutamide | [no description available] | medium | 3 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone | androgen antagonist;
antineoplastic agent |
| coumarin | [no description available] | medium | 3 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| glycolic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid;
primary alcohol | keratolytic drug;
metabolite |
| niacin | [no description available] | medium | 3 | 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 |
| urea | [no description available] | medium | 2 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| amobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
| antipyrine | [no description available] | medium | 3 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| atenolol | [no description available] | medium | 3 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| baclofen | [no description available] | medium | 2 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| barbital | [no description available] | medium | 2 | 0 | barbiturates | drug allergen |
| caffeine | [no description available] | medium | 11 | 0 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| caffeine | [no description available] | medium | 11 | 1 | purine alkaloid;
trimethylxanthine | adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic |
| chloroxylenol | [no description available] | medium | 3 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| clonidine | [no description available] | medium | 2 | 0 | clonidine;
imidazoline | |
| amphetamine | [no description available] | medium | 2 | 0 | primary amine | |
| diazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| diclofenac | [no description available] | medium | 3 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| diethylcarbamazine | [no description available] | medium | 1 | 0 | N-carbamoylpiperazine;
N-methylpiperazine | |
| fentanyl | [no description available] | medium | 2 | 0 | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
| fluorouracil | [no description available] | medium | 5 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| flurbiprofen | [no description available] | medium | 4 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| lidocaine | [no description available] | medium | 3 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| 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 |
| metoprolol | [no description available] | medium | 2 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| minoxidil | [no description available] | medium | 4 | 0 | dialkylarylamine;
tertiary amino compound | |
| nifedipine | [no description available] | medium | 4 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| nitroglycerin | [no description available] | medium | 2 | 0 | nitroglycerol | explosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic |
| oxprenolol | [no description available] | medium | 3 | 0 | aromatic ether | |
| prednisolone | [no description available] | medium | 4 | 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 |
| cyclobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
| aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
mouse metabolite;
neurotransmitter |
| lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| sucrose | [no description available] | medium | 4 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| aminopyrine | [no description available] | medium | 3 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| levodopa | [no description available] | medium | 2 | 0 | amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug |
| mannitol | [no description available] | medium | 2 | 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 |
| histidine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| triamcinolone acetonide | [no description available] | medium | 3 | 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 |
| butobarbital | [no description available] | medium | 2 | 0 | barbiturates | |
| isosorbide dinitrate | [no description available] | medium | 2 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| 2,4,6-trichlorophenol | [no description available] | medium | 1 | 0 | trichlorophenol | carcinogenic agent |
| nicotinic acid benzyl ester | [no description available] | medium | 1 | 0 | benzyl ester | vasodilator agent |
| 3,4-dimethylphenol | [no description available] | medium | 1 | 0 | phenols | |
| styrene | [no description available] | medium | 1 | 0 | styrenes;
vinylarene;
volatile organic compound | mouse metabolite;
mutagen;
plant metabolite |
| anisole | [no description available] | medium | 1 | 0 | monomethoxybenzene | plant metabolite |
| 4-phenylenediamine | [no description available] | medium | 1 | 0 | phenylenediamine | allergen;
dye;
hapten;
reagent |
| morpholine | [no description available] | medium | 1 | 0 | morpholines;
saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
| n-butoxyethanol | [no description available] | medium | 1 | 0 | glycol ether;
primary alcohol | protic solvent |
| isoquinoline | [no description available] | medium | 2 | 0 | azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene | |
| ephedrine | [no description available] | medium | 2 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| fluocinonide | [no description available] | medium | 2 | 0 | organic molecular entity | |
| betamethasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| n-nitrosodiethanolamine | [no description available] | medium | 1 | 0 | nitroso compound | |
| betamethasone valerate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester | anti-inflammatory drug |
| triamcinolone | [no description available] | medium | 2 | 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 |
| sufentanil | [no description available] | medium | 1 | 0 | anilide;
ether;
piperidines;
thiophenes | anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
| nicorandil | [no description available] | medium | 2 | 0 | nitrate ester;
pyridinecarboxamide | potassium channel opener;
vasodilator agent |
| nicotine | [no description available] | medium | 3 | 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 |
| cortisol octanoate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
| atropine | [no description available] | medium | 5 | 0 | | |
| cortisone | [no description available] | medium | 3 | 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 | 4 | 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 |
| cortodoxone | [no description available] | medium | 2 | 0 | deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
| griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| digitoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
| etorphine | [no description available] | medium | 1 | 0 | alcohol;
morphinane alkaloid | opioid analgesic;
opioid receptor agonist;
sedative |
| sulindac | [no description available] | medium | 4 | 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 |
| dihydromorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| dextromethorphan | [no description available] | medium | 2 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic |
| scopolamine hydrobromide | [no description available] | medium | 2 | 0 | | |
| piroxicam | [no description available] | medium | 3 | 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 |
| dipyrone | [no description available] | medium | 2 | 0 | organic sodium salt | anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug |
| 4-aminobenzoic acid | [no description available] | medium | 5 | 0 | aminobenzoic acid;
aromatic amino-acid zwitterion | allergen;
Escherichia coli metabolite;
plant metabolite |
| hexachlorophene | [no description available] | medium | 3 | 0 | bridged diphenyl fungicide;
polyphenol;
trichlorobenzene | acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug |
| triclosan | [no description available] | medium | 2 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
| terpin | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | |
| vanillic acid | [no description available] | medium | 1 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| monolaurin | [no description available] | medium | 1 | 0 | 1-monoglyceride;
dodecanoate ester;
rac-1-monoacylglycerol | |
| phenoxyethanol | [no description available] | medium | 1 | 0 | aromatic ether;
glycol ether;
primary alcohol | antiinfective agent;
central nervous system depressant |
| myrcene | [no description available] | medium | 1 | 0 | monoterpene | anabolic agent;
anti-inflammatory agent;
flavouring agent;
fragrance;
plant metabolite;
volatile oil component |
| n-acetyltyrosine | [no description available] | medium | 1 | 0 | N-acetyltyrosine;
N-acyl-L-tyrosine | biomarker;
EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor;
human urinary metabolite |
| dodecyltetraethylene glycol monoether | [no description available] | medium | 1 | 0 | poly(ethylene glycol) | |
| beta-ionone | [no description available] | medium | 1 | 0 | ionone | antioxidant;
fragrance |
| cerulenin | [no description available] | medium | 1 | 0 | epoxide;
monocarboxylic acid amide | antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor |
| acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| acetamide | [no description available] | medium | 1 | 0 | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | |
| adenine | [no description available] | medium | 3 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| allantoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
ureas | Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary |
| quinacrine | [no description available] | medium | 2 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| betaine | [no description available] | medium | 2 | 0 | amino-acid betaine;
glycine derivative | fundamental metabolite |
| carnitine | [no description available] | medium | 2 | 0 | amino-acid betaine | human metabolite;
mouse metabolite |
| citric acid, anhydrous | [no description available] | medium | 1 | 0 | tricarboxylic acid | antimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite |
| bupropion | [no description available] | medium | 2 | 0 | aromatic ketone;
monochlorobenzenes;
secondary amino compound | antidepressant;
environmental contaminant;
xenobiotic |
| aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid | antifibrinolytic drug;
hematologic agent;
metabolite |
| creatine | [no description available] | medium | 1 | 0 | glycine derivative;
guanidines;
zwitterion | geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical |
| lactic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| dimethyl sulfoxide | [no description available] | medium | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| formaldehyde | [no description available] | medium | 1 | 0 | aldehyde;
one-carbon compound | allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| glycine | [no description available] | medium | 4 | 0 | alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical |
| glycerol | [no description available] | medium | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| inositol | [no description available] | medium | 1 | 0 | cyclitol;
hexol | |
| niacinamide | [no description available] | medium | 2 | 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 |
| orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite;
metabolite;
mouse metabolite |
| phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| pyrazinamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
N-acylammonia;
pyrazines | antitubercular agent;
prodrug |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate | coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| pyridoxine | [no description available] | medium | 2 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| thiamine | [no description available] | medium | 1 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| uracil | [no description available] | medium | 1 | 0 | pyrimidine nucleobase;
pyrimidone | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| phenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| acebutolol | [no description available] | medium | 1 | 0 | aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent |
| acetazolamide | [no description available] | medium | 2 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| acetohexamide | [no description available] | medium | 1 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| albendazole | [no description available] | medium | 1 | 0 | aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester | anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator |
| alfuzosin | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| amantadine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic |
| ambroxol | [no description available] | medium | 1 | 0 | aromatic amine | |
| aminoglutethimide | [no description available] | medium | 2 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| pimagedine | [no description available] | medium | 1 | 0 | guanidines;
one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| theophylline | [no description available] | medium | 2 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
| amiodarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| amlodipine | [no description available] | medium | 2 | 0 | dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| amsacrine | [no description available] | medium | 1 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| anastrozole | [no description available] | medium | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| anethole trithione | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| anthralin | [no description available] | medium | 1 | 0 | anthracenes | antipsoriatic |
| azathioprine | [no description available] | medium | 2 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| bendazac | [no description available] | medium | 1 | 0 | indazoles;
monocarboxylic acid | non-steroidal anti-inflammatory drug;
radical scavenger |
| benzbromarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
| bicalutamide | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol | |
| bay h 4502 | [no description available] | medium | 2 | 0 | biphenyls;
imidazoles | |
| bisoprolol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| bromisovalum | [no description available] | medium | 1 | 0 | N-acylurea;
organobromine compound | |
| brotizolam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| buspirone | [no description available] | medium | 2 | 0 | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| busulfan | [no description available] | medium | 2 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| butalbital | [no description available] | medium | 1 | 0 | barbiturates | analgesic;
sedative |
| verapamil | [no description available] | medium | 2 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| candesartan cilexetil | [no description available] | medium | 1 | 0 | biphenyls | |
| carisoprodol | [no description available] | medium | 2 | 0 | carbamate ester | muscle relaxant |
| carmustine | [no description available] | medium | 2 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| carprofen | [no description available] | medium | 1 | 0 | carbazoles;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent |
| carvedilol | [no description available] | medium | 1 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
| celecoxib | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cetirizine | [no description available] | medium | 1 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| chloral hydrate | [no description available] | medium | 1 | 0 | aldehyde hydrate;
ethanediol;
organochlorine compound | general anaesthetic;
mouse metabolite;
sedative;
xenobiotic |
| chlorambucil | [no description available] | medium | 2 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chlordiazepoxide | [no description available] | medium | 1 | 0 | benzodiazepine | |
| chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone | antipsychotic agent;
anxiolytic drug;
muscle relaxant |
| chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug |
| chlorpropamide | [no description available] | medium | 3 | 0 | monochlorobenzenes;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| chlorzoxazone | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| cimetidine | [no description available] | medium | 3 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cinoxacin | [no description available] | medium | 2 | 0 | cinnolines;
oxacycle;
oxo carboxylic acid | antibacterial drug;
antiinfective agent |
| ciprofloxacin | [no description available] | medium | 2 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| cisapride | [no description available] | medium | 1 | 0 | benzamides | |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organochlorine compound;
organoiodine compound | antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator |
| clobazam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator |
| clofazimine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenazines | dye;
leprostatic drug;
non-steroidal anti-inflammatory drug |
| clomiphene | [no description available] | medium | 2 | 0 | tertiary amine | estrogen antagonist;
estrogen receptor modulator |
| clotiazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| clotrimazole | [no description available] | medium | 2 | 0 | conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes | antiinfective agent;
environmental contaminant;
xenobiotic |
| cyclandelate | [no description available] | medium | 2 | 0 | carboxylic ester;
secondary alcohol | vasodilator agent |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| eflornithine | [no description available] | medium | 1 | 0 | alpha-amino acid;
fluoroamino acid | trypanocidal drug |
| diazoxide | [no description available] | medium | 3 | 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 |
| ddt | [no description available] | medium | 1 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
| dipyridamole | [no description available] | medium | 2 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disopyramide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
pyridines;
tertiary amino compound | anti-arrhythmia drug |
| disulfiram | [no description available] | medium | 3 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| droperidol | [no description available] | medium | 3 | 0 | aromatic ketone;
benzimidazoles;
organofluorine compound | anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| econazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes | |
| enflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | anaesthetic |
| enoxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| estazolam | [no description available] | medium | 1 | 0 | triazoles;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA modulator |
| 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 | 2 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| felbamate | [no description available] | medium | 3 | 0 | carbamate ester | anticonvulsant;
neuroprotective agent |
| felodipine | [no description available] | medium | 2 | 0 | 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 |
| flecainide | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| flucytosine | [no description available] | medium | 2 | 0 | aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone | prodrug |
| flufenamic acid | [no description available] | medium | 3 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flumazenil | [no description available] | medium | 3 | 0 | ethyl ester;
imidazobenzodiazepine;
organofluorine compound | antidote to benzodiazepine poisoning;
GABA antagonist |
| flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative |
| fluoxetine | [no description available] | medium | 2 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent |
| gemfibrozil | [no description available] | medium | 2 | 0 | aromatic ether | antilipemic drug |
| glafenine | [no description available] | medium | 2 | 0 | aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound | inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gliclazide | [no description available] | medium | 2 | 0 | N-sulfonylurea | hypoglycemic agent;
insulin secretagogue;
radical scavenger |
| glutethimide | [no description available] | medium | 1 | 0 | piperidines | |
| glyburide | [no description available] | medium | 3 | 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 |
| gossypol | [no description available] | medium | 1 | 0 | | |
| guaiazulene | [no description available] | medium | 1 | 0 | sesquiterpene | |
| fasudil | [no description available] | medium | 2 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
| haloperidol | [no description available] | medium | 3 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| halothane | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| miltefosine | [no description available] | medium | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hexestrol | [no description available] | medium | 1 | 0 | stilbenoid | |
| hexetidine | [no description available] | medium | 1 | 0 | organic heteromonocyclic compound;
organonitrogen heterocyclic compound | |
| hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| hydralazine | [no description available] | medium | 2 | 0 | azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines | antihypertensive agent;
vasodilator agent |
| hydrochlorothiazide | [no description available] | medium | 5 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxyzine | [no description available] | medium | 2 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
| phenelzine | [no description available] | medium | 2 | 0 | primary amine | |
| alverine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug |
| idebenone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
primary alcohol | antioxidant;
ferroptosis inhibitor |
| ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| amrinone | [no description available] | medium | 3 | 0 | bipyridines | EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| indapamide | [no description available] | medium | 3 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| iodipamide | [no description available] | medium | 1 | 0 | benzoic acids;
organoiodine compound;
secondary carboxamide | radioopaque medium |
| iproniazid | [no description available] | medium | 2 | 0 | carbohydrazide;
pyridines | |
| avapro | [no description available] | medium | 1 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| isoniazid | [no description available] | medium | 3 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| 2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| isoxsuprine | [no description available] | medium | 2 | 0 | alkylbenzene | |
| isradipine | [no description available] | medium | 1 | 0 | benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester | |
| itraconazole | [no description available] | medium | 2 | 0 | piperazines | |
| ketamine | [no description available] | medium | 1 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone;
organofluorine compound;
piperidines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist |
| ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| khellin | [no description available] | medium | 2 | 0 | furanochromone;
organic heterotricyclic compound;
oxacycle | anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent |
| lansoprazole | [no description available] | medium | 2 | 0 | benzimidazoles;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| beta-lapachone | [no description available] | medium | 1 | 0 | benzochromenone;
orthoquinones | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| 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 |
| lofepramine | [no description available] | medium | 1 | 0 | aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound | antidepressant |
| lomustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| malathion | [no description available] | medium | 1 | 0 | diester;
ethyl ester;
organic thiophosphate | |
| diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
| mazindol | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mebendazole | [no description available] | medium | 1 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
| meclizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| meclofenoxate | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| mefenamic acid | [no description available] | medium | 3 | 0 | aminobenzoic acid;
secondary amino compound | analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
| vitamin k 3 | [no description available] | medium | 2 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| mephenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant |
| mepivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide | drug allergen;
local anaesthetic |
| meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| metformin | [no description available] | medium | 2 | 0 | guanidines | environmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic |
| methadone | [no description available] | medium | 1 | 0 | benzenes;
diarylmethane;
ketone;
tertiary amino compound | |
| methoxsalen | [no description available] | medium | 1 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| methoxyflurane | [no description available] | medium | 1 | 0 | ether;
organochlorine compound;
organofluorine compound | hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic |
| methyl salicylate | [no description available] | medium | 2 | 0 | benzoate ester;
methyl ester;
salicylates | flavouring agent;
insect attractant;
metabolite |
| methylphenidate | [no description available] | medium | 1 | 0 | beta-amino acid ester;
methyl ester;
piperidines | |
| methyprylon | [no description available] | medium | 1 | 0 | organic molecular entity | |
| metoclopramide | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| metronidazole | [no description available] | medium | 2 | 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 | 2 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| mianserin | [no description available] | medium | 2 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist |
| miconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
ether;
imidazoles | |
| midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| mirtazapine | [no description available] | medium | 1 | 0 | benzazepine;
tetracyclic antidepressant | alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist |
| mitotane | [no description available] | medium | 2 | 0 | diarylmethane | |
| modafinil | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfoxide | |
| moxisylyte | [no description available] | medium | 1 | 0 | monoterpenoid | |
| deet | [no description available] | medium | 1 | 0 | benzamides;
monocarboxylic acid amide | environmental contaminant;
insect repellent;
xenobiotic |
| nabumetone | [no description available] | medium | 2 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nalidixic acid | [no description available] | medium | 2 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| nefazodone | [no description available] | medium | 2 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nevirapine | [no description available] | medium | 3 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nialamide | [no description available] | medium | 2 | 0 | organonitrogen compound;
organooxygen compound | |
| niceritrol | [no description available] | medium | 1 | 0 | organic molecular entity | |
| niflumic acid | [no description available] | medium | 2 | 0 | aromatic carboxylic acid;
pyridines | |
| nimesulide | [no description available] | medium | 2 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nimodipine | [no description available] | medium | 2 | 0 | 2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester | antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent |
| nisoldipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester | |
| nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative |
| nitrendipine | [no description available] | medium | 2 | 0 | C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester | antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent |
| nizatidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist |
| masoprocol | [no description available] | medium | 1 | 0 | catechols;
lignan;
tetrol | antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite |
| norfloxacin | [no description available] | medium | 3 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
| omeprazole | [no description available] | medium | 2 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| ondansetron | [no description available] | medium | 1 | 0 | carbazoles | |
| orphenadrine | [no description available] | medium | 2 | 0 | ether;
tertiary amino compound | antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic |
| oxamniquine | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound | |
| oxaprozin | [no description available] | medium | 1 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxethazaine | [no description available] | medium | 2 | 0 | amino acid amide | |
| oxybenzone | [no description available] | medium | 1 | 0 | hydroxybenzophenone;
monomethoxybenzene | dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic |
| pantoprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| pemoline | [no description available] | medium | 1 | 0 | 1,3-oxazoles | central nervous system stimulant |
| pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
| pentoxifylline | [no description available] | medium | 2 | 0 | oxopurine | |
| perazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
phenothiazines | dopaminergic antagonist;
phenothiazine antipsychotic drug |
| perphenazine | [no description available] | medium | 3 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenacetin | [no description available] | medium | 8 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| phenoxybenzamine | [no description available] | medium | 1 | 0 | aromatic amine | |
| moxonidine | [no description available] | medium | 1 | 0 | organohalogen compound;
pyrimidines | |
| pinacidil | [no description available] | medium | 3 | 0 | pyridines | |
| pipemidic acid | [no description available] | medium | 2 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| piperazine | [no description available] | medium | 1 | 0 | azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent | anthelminthic drug |
| praziquantel | [no description available] | medium | 3 | 0 | isoquinolines | |
| prazosin | [no description available] | medium | 2 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primaquine | [no description available] | medium | 2 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| primidone | [no description available] | medium | 2 | 0 | pyrimidone | anticonvulsant;
environmental contaminant;
xenobiotic |
| probucol | [no description available] | medium | 3 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| procainamide | [no description available] | medium | 1 | 0 | benzamides | anti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker |
| procarbazine | [no description available] | medium | 1 | 0 | benzamides;
hydrazines | antineoplastic agent |
| prochlorperazine | [no description available] | medium | 3 | 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 |
| pyridinolcarbamate | [no description available] | medium | 1 | 0 | pyridines | |
| pyrimethamine | [no description available] | medium | 3 | 0 | aminopyrimidine;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| ranitidine | [no description available] | medium | 1 | 0 | aralkylamine | |
| opc 12759 | [no description available] | medium | 1 | 0 | secondary carboxamide | |
| riluzole | [no description available] | medium | 3 | 0 | benzothiazoles | |
| risperidone | [no description available] | medium | 2 | 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 |
| rofecoxib | [no description available] | medium | 2 | 0 | butenolide;
sulfone | analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| sevoflurane | [no description available] | medium | 1 | 0 | ether;
organofluorine compound | central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor |
| sibutramine | [no description available] | medium | 1 | 0 | organochlorine compound;
tertiary amino compound | anti-obesity agent;
serotonin uptake inhibitor |
| sulfadiazine | [no description available] | medium | 2 | 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 |
| 4-phenylbutyric acid, sodium salt | [no description available] | medium | 1 | 0 | organic sodium salt | EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug |
| vorinostat | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| sulfamerazine | [no description available] | medium | 4 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfameter | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
leprostatic drug;
renal agent |
| sulfamethazine | [no description available] | medium | 3 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic |
| sulfamethizole | [no description available] | medium | 3 | 0 | sulfonamide antibiotic;
sulfonamide;
thiadiazoles | antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfamethoxazole | [no description available] | medium | 3 | 0 | isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic |
| sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| sulfaphenazole | [no description available] | medium | 1 | 0 | primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor |
| sulfapyridine | [no description available] | medium | 1 | 0 | pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic |
| sulfasalazine | [no description available] | medium | 1 | 0 | | |
| 2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| sulpiride | [no description available] | medium | 2 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
| suramin | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid;
phenylureas;
secondary carboxamide | angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug |
| gatifloxacin | [no description available] | medium | 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 |
| tegafur | [no description available] | medium | 2 | 0 | organohalogen compound;
pyrimidines | |
| temozolomide | [no description available] | medium | 1 | 0 | imidazotetrazine;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
prodrug |
| tetracaine | [no description available] | medium | 2 | 0 | benzoate ester;
tertiary amino compound | local anaesthetic |
| thalidomide | [no description available] | medium | 2 | 0 | phthalimides;
piperidones | |
| thiabendazole | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles | antifungal agrochemical;
antinematodal drug |
| thioridazine | [no description available] | medium | 2 | 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 |
| ticlopidine | [no description available] | medium | 2 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| tizanidine | [no description available] | medium | 1 | 0 | benzothiadiazole;
imidazoles | alpha-adrenergic agonist;
muscle relaxant |
| tolazamide | [no description available] | medium | 3 | 0 | N-sulfonylurea | hypoglycemic agent;
potassium channel blocker |
| tolbutamide | [no description available] | medium | 3 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| tolperisone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| ultram | [no description available] | medium | 1 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| tranexamic acid | [no description available] | medium | 1 | 0 | amino acid | |
| trazodone | [no description available] | medium | 1 | 0 | monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine | adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor |
| trimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | anticonvulsant;
geroprotector |
| trimethoprim | [no description available] | medium | 3 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| troglitazone | [no description available] | medium | 2 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| venlafaxine | [no description available] | medium | 2 | 0 | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic |
| vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
| vigabatrin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor |
| ici 204,219 | [no description available] | medium | 1 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| zolpidem | [no description available] | medium | 1 | 0 | imidazopyridine | central nervous system depressant;
GABA agonist;
sedative |
| guanidine hydrochloride | [no description available] | medium | 1 | 0 | one-carbon compound;
organic chloride salt | protein denaturant |
| hydrocortisone acetate | [no description available] | medium | 2 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| reserpine | [no description available] | medium | 2 | 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 |
| cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative | antibacterial drug |
| phentolamine | [no description available] | medium | 3 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| sorbitol | [no description available] | medium | 2 | 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 |
| piperonyl butoxide | [no description available] | medium | 3 | 0 | benzodioxoles | pesticide synergist |
| bromouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
pyrimidines | mutagen |
| 3,3',5-triiodothyroacetic acid | [no description available] | medium | 1 | 0 | | |
| histamine dihydrochloride | [no description available] | medium | 1 | 0 | | |
| dextroamphetamine | [no description available] | medium | 1 | 0 | 1-phenylpropan-2-amine | adrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent |
| carbachol | [no description available] | medium | 1 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
| norethindrone acetate | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound | progestin;
synthetic oral contraceptive |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| penicillamine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
| trichlorfon | [no description available] | medium | 2 | 0 | organic phosphonate;
organochlorine compound;
phosphonic ester | agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
| oxandrolone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid | anabolic agent;
androgen |
| nad | [no description available] | medium | 1 | 0 | NAD | geroprotector |
| penicillin g | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug;
drug allergen;
epitope |
| pilocarpine | [no description available] | medium | 1 | 0 | pilocarpine | antiglaucoma drug |
| glutamine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| cetrimonium bromide | [no description available] | medium | 1 | 0 | organic bromide salt;
quaternary ammonium salt | detergent;
surfactant |
| 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 |
| physostigmine | [no description available] | medium | 1 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
| testosterone propionate | [no description available] | medium | 1 | 0 | steroid ester | |
| apomorphine | [no description available] | medium | 2 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
| methyltestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone | anabolic agent;
androgen;
antineoplastic agent |
| tetrabenazine | [no description available] | medium | 1 | 0 | benzoquinolizine;
cyclic ketone;
tertiary amino compound | |
| cephalothin | [no description available] | medium | 1 | 0 | azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes | antibacterial drug;
antimicrobial agent |
| uridine | [no description available] | medium | 2 | 0 | uridines | drug metabolite;
fundamental metabolite;
human metabolite |
| kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
| phenylephrine | [no description available] | medium | 2 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| niridazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-nitro compound | |
| carbaryl | [no description available] | medium | 1 | 0 | carbamate ester;
naphthalenes | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant |
| lactose | [no description available] | medium | 1 | 0 | lactose | |
| methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| Mebutamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| colchicine | [no description available] | medium | 2 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| benziodarone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| 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 | 2 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist;
sedative |
| trypan blue | [no description available] | medium | 1 | 0 | | |
| cordycepin | [no description available] | medium | 1 | 0 | 3'-deoxyribonucleoside;
adenosines | antimetabolite;
nucleoside antibiotic |
| tryptophan | [no description available] | medium | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| arginine | [no description available] | medium | 1 | 0 | arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| trichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| allylpropymal | [no description available] | medium | 1 | 0 | barbiturates | |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| dehydrocholic acid | [no description available] | medium | 2 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| methylprednisolone | [no description available] | medium | 3 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| synephrine | [no description available] | medium | 2 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| benzoyl peroxide | [no description available] | medium | 1 | 0 | carbonyl compound | |
| furan | [no description available] | medium | 1 | 0 | furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | carcinogenic agent;
hepatotoxic agent;
Maillard reaction product |
| ergotamine | [no description available] | medium | 1 | 0 | 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 | |
| phenformin | [no description available] | medium | 2 | 0 | biguanides | antineoplastic agent;
geroprotector;
hypoglycemic agent |
| mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
| hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide;
chlorobenzenes | antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant |
| trinitrotoluene | [no description available] | medium | 1 | 0 | trinitrotoluene | explosive |
| framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen;
antibacterial drug;
Escherichia coli metabolite |
| pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole;
aromatic ketone;
cyclic ketone | antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector |
| meglumine | [no description available] | medium | 1 | 0 | hexosamine;
secondary amino compound | |
| cinchophen | [no description available] | medium | 4 | 0 | quinolines | |
| yohimbine | [no description available] | medium | 2 | 0 | methyl 17-hydroxy-20xi-yohimban-16-carboxylate | alpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist |
| quinestrol | [no description available] | medium | 2 | 0 | 17-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| dydrogesterone | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid | progestin |
| chlormadinone acetate | [no description available] | medium | 2 | 0 | corticosteroid hormone | |
| 2,3-dimercaptosuccinic acid | [no description available] | medium | 1 | 0 | | |
| evans blue | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent |
| testosterone enanthate | [no description available] | medium | 1 | 0 | heptanoate ester;
sterol ester | androgen |
| aminophylline | [no description available] | medium | 1 | 0 | mixture | bronchodilator agent;
cardiotonic drug |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| phenyramidol | [no description available] | medium | 1 | 0 | aminopyridine | |
| carbutamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| nandrolone decanoate | [no description available] | medium | 1 | 0 | steroid ester | |
| bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide;
butanamides;
butyrate ester | agonist;
cardiotonic drug;
vasodilator agent |
| perflubron | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
perfluorinated compound | blood substitute;
radioopaque medium |
| cyproterone acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester | androgen antagonist;
geroprotector;
progestin |
| dextropropoxyphene | [no description available] | medium | 1 | 0 | 1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate | mu-opioid receptor agonist;
opioid analgesic |
| glycyrrhetinic acid | [no description available] | medium | 2 | 0 | cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid | immunomodulator;
plant metabolite |
| dihydralazine | [no description available] | medium | 2 | 0 | phthalazines | |
| phenylpropanolamine | [no description available] | medium | 1 | 0 | amphetamines;
phenethylamine alkaloid | plant metabolite |
| dihydroergotamine | [no description available] | medium | 1 | 0 | ergot alkaloid;
semisynthetic derivative | dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent |
| podophyllotoxin | [no description available] | medium | 2 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
| hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
| methamphetamine | [no description available] | medium | 1 | 0 | amphetamines;
secondary amine | central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic |
| gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| hematoporphyrin | [no description available] | medium | 1 | 0 | | |
| lactulose | [no description available] | medium | 1 | 0 | glycosylfructose | gastrointestinal drug;
laxative |
| megestrol acetate | [no description available] | medium | 3 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| acetylcysteine | [no description available] | medium | 3 | 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 stearate | [no description available] | medium | 1 | 0 | aminoglycoside | |
| erythromycin | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin | |
| vinblastine | [no description available] | medium | 1 | 0 | | |
| estradiol valerate | [no description available] | medium | 2 | 0 | steroid ester | |
| vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
| dronabinol | [no description available] | medium | 1 | 0 | benzochromene;
diterpenoid;
phytocannabinoid;
polyketide | cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic |
| amiloride | [no description available] | medium | 2 | 0 | aromatic amine;
guanidines;
organochlorine compound;
pyrazines | diuretic;
sodium channel blocker |
| pimozide | [no description available] | medium | 3 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| sulfadoxine | [no description available] | medium | 2 | 0 | pyrimidines;
sulfonamide | antibacterial drug;
antimalarial |
| acadesine | [no description available] | medium | 1 | 0 | 1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue | antineoplastic agent;
platelet aggregation inhibitor |
| stavudine | [no description available] | medium | 2 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| doxifluridine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 5'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
prodrug |
| iproclozide | [no description available] | medium | 1 | 0 | aromatic ether | |
| streptomycin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
antibiotic fungicide;
streptomycins | antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor |
| cladribine | [no description available] | medium | 2 | 0 | organochlorine compound;
purine 2'-deoxyribonucleoside | antineoplastic agent;
immunosuppressive agent |
| carbenicillin disodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| dehydroemetine | [no description available] | medium | 1 | 0 | aromatic ether;
isoquinolines;
pyridoisoquinoline | antileishmanial agent;
antimalarial;
antiprotozoal drug |
| benorilate | [no description available] | medium | 1 | 0 | carbonyl compound | |
| trimetazidine | [no description available] | medium | 1 | 0 | aromatic amine | |
| floxacillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| tiadenol | [no description available] | medium | 1 | 0 | aliphatic sulfide | |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| camptothecin | [no description available] | medium | 1 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
| stanozolol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol | anabolic agent;
androgen |
| clodronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound | antineoplastic agent;
bone density conservation agent |
| xipamide | [no description available] | medium | 1 | 0 | benzamides | |
| selegiline | [no description available] | medium | 1 | 0 | selegiline;
terminal acetylenic compound | geroprotector |
| levamisole | [no description available] | medium | 2 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| thiamphenicol | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfone | antimicrobial agent;
immunosuppressive agent |
| pizotyline | [no description available] | medium | 1 | 0 | benzocycloheptathiophene | histamine antagonist;
muscarinic antagonist;
serotonergic antagonist |
| isosorbide-5-mononitrate | [no description available] | medium | 1 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| danazol | [no description available] | medium | 2 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | anti-estrogen;
estrogen antagonist;
geroprotector |
| carbimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones;
carbamate ester | antithyroid drug;
prodrug |
| bromocriptine | [no description available] | medium | 1 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
| oxyphenisatin | [no description available] | medium | 1 | 0 | indoles | |
| tetrachloroethylene | [no description available] | medium | 1 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
| butachlor | [no description available] | medium | 1 | 0 | aromatic amide;
organochlorine compound;
tertiary carboxamide | environmental contaminant;
herbicide;
xenobiotic |
| rose bengal b disodium salt | [no description available] | medium | 2 | 0 | | |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| cefazolin | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles | antibacterial drug |
| amoxicillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| nicergoline | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
| oxcarbazepine | [no description available] | medium | 2 | 0 | cyclic ketone;
dibenzoazepine | anticonvulsant;
drug allergen |
| amineptin | [no description available] | medium | 1 | 0 | amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound | antidepressant;
dopamine uptake inhibitor |
| pirprofen | [no description available] | medium | 1 | 0 | pyrroline | |
| tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent;
antimicrobial agent;
toxin |
| paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| dobutamine | [no description available] | medium | 2 | 0 | catecholamine;
secondary amine | beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent |
| ribavirin | [no description available] | medium | 1 | 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 |
| ticrynafen | [no description available] | medium | 1 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| methyldopa | [no description available] | medium | 2 | 0 | L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent |
| bezafibrate | [no description available] | medium | 3 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| sq-11725 | [no description available] | medium | 2 | 0 | | |
| diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| permethrin | [no description available] | medium | 1 | 0 | cyclopropanecarboxylate ester;
cyclopropanes | agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide |
| pirfenidone | [no description available] | medium | 1 | 0 | pyridone | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| desogestrel | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
| muzolimine | [no description available] | medium | 1 | 0 | dichlorobenzene | |
| 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 |
| desflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| piperacillin | [no description available] | medium | 2 | 0 | penicillin allergen;
penicillin | antibacterial drug |
| paroxetine | [no description available] | medium | 1 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| captopril | [no description available] | medium | 3 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| cefoperazone | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| foscarnet sodium | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antiviral drug |
| moxalactam | [no description available] | medium | 1 | 0 | cephalosporin;
oxacephem | antibacterial drug |
| cefadroxil anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug |
| encainide | [no description available] | medium | 1 | 0 | benzamides;
piperidines | anti-arrhythmia drug;
sodium channel blocker |
| cefaclor anhydrous | [no description available] | medium | 1 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| miglustat | [no description available] | medium | 1 | 0 | piperidines;
tertiary amino compound | anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor |
| cefotetan | [no description available] | medium | 1 | 0 | | |
| lovastatin | [no description available] | medium | 2 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring) | anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug |
| enoximone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| piritrexim | [no description available] | medium | 1 | 0 | | |
| simvastatin | [no description available] | medium | 2 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| atomoxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | adrenergic uptake inhibitor;
antidepressant |
| 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 |
| gepirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| mifepristone | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| sparfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | |
| zileuton | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| clopidogrel | [no description available] | medium | 1 | 0 | methyl ester;
monochlorobenzenes;
thienopyridine | anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| bromfenac | [no description available] | medium | 1 | 0 | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| atorvastatin | [no description available] | medium | 1 | 0 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| 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 |
| duloxetine | [no description available] | medium | 1 | 0 | duloxetine | |
| 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 |
| valsartan | [no description available] | medium | 2 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines;
carbonate ester;
ether;
organic phosphonate | antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug |
| capecitabine | [no description available] | medium | 1 | 0 | carbamate ester;
cytidines;
organofluorine compound | antimetabolite;
antineoplastic agent;
prodrug |
| adenosine | [no description available] | medium | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
| halofuginone | [no description available] | medium | 1 | 0 | quinazolines | |
| ortho-cept | [no description available] | medium | 1 | 0 | | |
| cefprozil | [no description available] | medium | 1 | 0 | cephalosporin;
semisynthetic derivative | antibacterial drug |
| efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
| doxapram hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | central nervous system stimulant |
| 1,5-anhydroglucitol | [no description available] | medium | 1 | 0 | anhydro sugar | human metabolite |
| betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| amprenavir | [no description available] | medium | 1 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
| glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative;
organic disulfide | Escherichia coli metabolite;
mouse metabolite |
| bendamustine | [no description available] | medium | 1 | 0 | benzimidazoles | |
| erdosteine | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| mizolastine | [no description available] | medium | 1 | 0 | benzimidazoles | |
| intoplicine | [no description available] | medium | 1 | 0 | pyridoindole | |
| telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| dexfenfluramine | [no description available] | medium | 1 | 0 | fenfluramine | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor |
| medetomidine | [no description available] | medium | 1 | 0 | imidazoles | |
| sertraline | [no description available] | medium | 2 | 0 | dichlorobenzene;
secondary amino compound;
tetralins | antidepressant;
serotonin uptake inhibitor |
| picosulfate sodium | [no description available] | medium | 1 | 0 | aryl sulfate;
pyridines | |
| dienogest | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone | progesterone receptor agonist;
progestin;
synthetic oral contraceptive |
| morphazinamide | [no description available] | medium | 1 | 0 | morpholines;
pyrazines;
secondary carboxamide | |
| dexrazoxane | [no description available] | medium | 1 | 0 | razoxane | antineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent |
| voriconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor |
| cyclobutyrol | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | bile therapy drug |
| terlipressin | [no description available] | medium | 1 | 0 | polypeptide | |
| isoflavone | [no description available] | medium | 1 | 0 | isoflavones | |
| clevudine | [no description available] | medium | 1 | 0 | | |
| tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| rosiglitazone | [no description available] | medium | 2 | 0 | aminopyridine;
thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug |
| clarithromycin | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| lopinavir | [no description available] | medium | 1 | 0 | amphetamines;
dicarboxylic acid diamide | anticoronaviral agent;
antiviral drug;
HIV protease inhibitor |
| sr141716 | [no description available] | medium | 2 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
| bosentan anhydrous | [no description available] | medium | 2 | 0 | primary alcohol;
pyrimidines;
sulfonamide | antihypertensive agent;
endothelin receptor antagonist |
| selenomethionine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
selenomethionine | plant metabolite |
| perindopril | [no description available] | medium | 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 |
| fingolimod | [no description available] | medium | 1 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
| ecteinascidin 743 | [no description available] | medium | 1 | 0 | acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound | alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite |
| nitisinone | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
| marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| clofarabine | [no description available] | medium | 1 | 0 | adenosines;
organofluorine compound | antimetabolite;
antineoplastic agent |
| mitiglinide | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid | |
| imatinib mesylate | [no description available] | medium | 1 | 0 | methanesulfonate salt | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| gefitinib | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines;
monocarboxylic acid amide;
organoiodine compound | adenosine A3 receptor agonist |
| methotrexate | [no description available] | medium | 2 | 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 |
| antiprimod | [no description available] | medium | 1 | 0 | | |
| sulbactam | [no description available] | medium | 1 | 0 | penicillanic acids | |
| olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
| ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent |
| docetaxel | [no description available] | medium | 1 | 0 | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent |
| atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug;
HIV protease inhibitor |
| levofloxacin | [no description available] | medium | 3 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| ezetimibe | [no description available] | medium | 1 | 0 | azetidines;
beta-lactam;
organofluorine compound | anticholesteremic drug;
antilipemic drug;
antimetabolite |
| cariporide | [no description available] | medium | 1 | 0 | | |
| tezosentan | [no description available] | medium | 1 | 0 | | |
| moxifloxacin | [no description available] | medium | 2 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| jtt 501 | [no description available] | medium | 1 | 0 | | |
| cyc 202 | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| paromomycin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside;
aminoglycoside antibiotic | anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| avasimibe | [no description available] | medium | 1 | 0 | monoterpenoid | |
| biotin | [no description available] | medium | 1 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| deferasirox | [no description available] | medium | 1 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| tbc-11251 | [no description available] | medium | 1 | 0 | benzodioxoles | |
| sitosterol, (3beta)-isomer | [no description available] | medium | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol | anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor |
| benzarone | [no description available] | medium | 1 | 0 | 1-benzofurans | |
| estramustine | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
carbamate ester;
organochlorine compound | alkylating agent;
antineoplastic agent;
radiation protective agent |
| noscapine | [no description available] | medium | 1 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| homoharringtonine | [no description available] | medium | 1 | 0 | alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor |
| o-(chloroacetylcarbamoyl)fumagillol | [no description available] | medium | 1 | 0 | carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide | angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist |
| bortezomib | [no description available] | medium | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| nexavar | [no description available] | medium | 1 | 0 | organosulfonate salt | |
| glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite;
geroprotector;
mouse metabolite |
| quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| meropenem | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| netilmicin | [no description available] | medium | 1 | 0 | | |
| trimethaphan camsylate | [no description available] | medium | 1 | 0 | | |
| erythromycin estolate | [no description available] | medium | 1 | 0 | aminoglycoside sulfate salt;
erythromycin derivative | enzyme inhibitor |
| cyclopamine | [no description available] | medium | 1 | 0 | piperidines | glioma-associated oncogene inhibitor |
| devazepide | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
| tolterodine | [no description available] | medium | 1 | 0 | tertiary amine | antispasmodic drug;
muscarinic antagonist;
muscle relaxant |
| doxorubicin hydrochloride | [no description available] | medium | 1 | 0 | anthracycline | |
| erythromycin ethylsuccinate | [no description available] | medium | 1 | 0 | cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester | |
| ao 128 | [no description available] | medium | 1 | 0 | organic molecular entity | |
| acarbose | [no description available] | medium | 1 | 0 | amino cyclitol;
glycoside | |
| alpha-D-fructofuranose 1,6-bisphosphate | [no description available] | medium | 1 | 0 | D-fructofuranose 1,6-bisphosphate | |
| docosahexaenoate | [no description available] | medium | 1 | 0 | docosahexaenoic acid;
omega-3 fatty acid | algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| cerivastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic) | |
| rosuvastatin | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide | anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic |
| cocaine | [no description available] | medium | 1 | 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 |
| eicosapentaenoic acid | [no description available] | medium | 1 | 0 | icosapentaenoic acid;
omega-3 fatty acid | anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
| clindamycin | [no description available] | medium | 1 | 0 | | |
| fosfomycin | [no description available] | medium | 1 | 0 | epoxide;
phosphonic acids | antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| drf 2725 | [no description available] | medium | 1 | 0 | | |
| alitretinoin | [no description available] | medium | 1 | 0 | retinoic acid | antineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist |
| decitabine | [no description available] | medium | 1 | 0 | 2'-deoxyribonucleoside | |
| teniposide | [no description available] | medium | 1 | 0 | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
| tiazofurin | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide | antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug |
| melphalan | [no description available] | medium | 2 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
| rubitecan | [no description available] | medium | 1 | 0 | C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| micafungin | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
echinocandin | antiinfective agent |
| riboflavin | [no description available] | medium | 1 | 0 | flavin;
vitamin B2 | anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite |
| sodium bicarbonate | [no description available] | medium | 1 | 0 | one-carbon compound;
organic sodium salt | antacid;
food anticaking agent |
| sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
| sodium benzoate | [no description available] | medium | 1 | 0 | organic sodium salt | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| ditiocarb sodium | [no description available] | medium | 1 | 0 | organic molecular entity | |
| carbenoxolone | [no description available] | medium | 1 | 0 | | |
| discodermolide | [no description available] | medium | 1 | 0 | diterpenoid | |
| cannabidiol | [no description available] | medium | 1 | 0 | olefinic compound;
phytocannabinoid;
resorcinols | antimicrobial agent;
plant metabolite |
| propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist |
| prothionamide | [no description available] | medium | 2 | 0 | pyridines | |
| etomidate | [no description available] | medium | 2 | 0 | ethyl ester;
imidazoles | intravenous anaesthetic;
sedative |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| methimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| capsaicin | [no description available] | medium | 2 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
| thioguanine anhydrous | [no description available] | medium | 2 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| tacrine hydrochloride | [no description available] | medium | 2 | 0 | | |
| sodium propionate | [no description available] | medium | 1 | 0 | organic sodium salt | antifungal drug;
food preservative |
| digoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside;
steroid saponin | anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope |
| streptozocin | [no description available] | medium | 1 | 0 | | |
| tamoxifen | [no description available] | medium | 2 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| ethionamide | [no description available] | medium | 3 | 0 | pyridines;
thiocarboxamide | antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug |
| fusidic acid | [no description available] | medium | 1 | 0 | 11alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester | EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor |
| estrone sulfate | [no description available] | medium | 1 | 0 | 17-oxo steroid;
steroid sulfate | human metabolite;
mouse metabolite |
| hmr 3647 | [no description available] | medium | 1 | 0 | | |
| toremifene | [no description available] | medium | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| droloxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
| or 1259 | [no description available] | medium | 1 | 0 | hydrazone;
nitrile;
pyridazinone | anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent |
| gestodene | [no description available] | medium | 1 | 0 | steroid | estrogen |
| orlistat | [no description available] | medium | 1 | 0 | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| idoxifene | [no description available] | medium | 1 | 0 | stilbenoid | |
| zd 6474 | [no description available] | medium | 1 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| silybin | [no description available] | medium | 1 | 0 | | |
| chloramine-t | [no description available] | medium | 1 | 0 | organic sodium salt | allergen;
antifouling biocide;
disinfectant |
| flosequinan | [no description available] | medium | 1 | 0 | quinolines | |
| tolcapone | [no description available] | medium | 2 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| dinoprostone | [no description available] | medium | 2 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| dinoprost | [no description available] | medium | 3 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| dinoprost | [no description available] | medium | 3 | 1 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| calcitriol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxycalciol;
triol | antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical |
| beta carotene | [no description available] | medium | 2 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent |
| amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic | antiamoebic agent;
antiprotozoal drug;
bacterial metabolite |
| clavulanic acid | [no description available] | medium | 1 | 0 | oxapenam | antibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor |
| pulmicort | [no description available] | medium | 2 | 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 |
| oxymetholone | [no description available] | medium | 1 | 0 | | |
| montelukast | [no description available] | medium | 1 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| astaxanthine | [no description available] | medium | 1 | 0 | carotenol;
carotenone | animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite |
| diosmin | [no description available] | medium | 1 | 0 | dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside | anti-inflammatory agent;
antioxidant |
| cynarine | [no description available] | medium | 1 | 0 | alkyl caffeate ester;
quinic acid | plant metabolite |
| sdz psc 833 | [no description available] | medium | 1 | 0 | homodetic cyclic peptide | |
| coenzyme q10 | [no description available] | medium | 1 | 0 | ubiquinones | antioxidant;
ferroptosis inhibitor;
human metabolite |
| tranilast | [no description available] | medium | 2 | 0 | amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide | anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent |
| etretinate | [no description available] | medium | 1 | 0 | enoate ester;
ethyl ester;
retinoid | keratolytic drug |
| misoprostol | [no description available] | medium | 1 | 0 | | |
| ozagrel | [no description available] | medium | 1 | 0 | cinnamic acids | |
| pitavastatin | [no description available] | medium | 1 | 0 | cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic) | antioxidant |
| alatrofloxacin mesylate | [no description available] | medium | 1 | 0 | | |
| 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 |
| 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 |
| acitretin | [no description available] | medium | 1 | 0 | acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid | keratolytic drug |
| dothiepin | [no description available] | medium | 1 | 0 | dothiepin | |
| levetiracetam | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | anticonvulsant;
environmental contaminant;
xenobiotic |
| sirolimus | [no description available] | medium | 2 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| topiramate | [no description available] | medium | 2 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| alvocidib | [no description available] | medium | 1 | 0 | dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| seocalcitol | [no description available] | medium | 1 | 0 | | |
| fenretinide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
retinoid | antineoplastic agent;
antioxidant |
| geldanamycin | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound | antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor |
| demycarosylturimycin h | [no description available] | medium | 1 | 0 | | |
| iloprost | [no description available] | medium | 1 | 0 | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent |
| vinorelbine | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| furazolidone | [no description available] | medium | 2 | 0 | | |
| fluvoxamine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime | antidepressant;
anxiolytic drug;
serotonin uptake inhibitor |
| semaxinib | [no description available] | medium | 1 | 0 | olefinic compound;
oxindoles;
pyrroles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| orantinib | [no description available] | medium | 1 | 0 | | |
| (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 | |
| molsidomine | [no description available] | medium | 2 | 0 | ethyl ester;
morpholines;
oxadiazole;
zwitterion | antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent |
| cefixime | [no description available] | medium | 2 | 0 | cephalosporin | antibacterial drug;
drug allergen |
| lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| ramipril | [no description available] | medium | 1 | 0 | azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester | bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug |
| indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
| enalapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
| nitrofurazone | [no description available] | medium | 1 | 0 | | |
| bleomycin | [no description available] | medium | 1 | 0 | bleomycin | antineoplastic agent;
metabolite |
| enalaprilat anhydrous | [no description available] | medium | 2 | 0 | dicarboxylic acid;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| imidapril | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug |
| sulindac sulfone | [no description available] | medium | 1 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| ximelagatran | [no description available] | medium | 1 | 0 | amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor |
| 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 |
| 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 |
| guanabenz acetate | [no description available] | medium | 2 | 0 | dichlorobenzene | geroprotector |
| famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
guanidines;
sulfonamide | anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| cefotaxime | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen |
| aztreonam | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen;
monobactam | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
| proguanil | [no description available] | medium | 1 | 0 | biguanides;
monochlorobenzenes | antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| rifamycin sv | [no description available] | medium | 1 | 0 | acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins | antimicrobial agent;
antitubercular agent;
bacterial metabolite |
| epoprostenol sodium | [no description available] | medium | 1 | 0 | prostanoid | |
| ixabepilone | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle | antineoplastic agent;
microtubule-destabilising agent |
| azlocillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial drug |
| dantrolene sodium | [no description available] | medium | 1 | 0 | | |
| nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| nifurtimox | [no description available] | medium | 1 | 0 | nitrofuran antibiotic | |
| roxithromycin | [no description available] | medium | 1 | 0 | roxithromycin | environmental contaminant;
xenobiotic |
| beraprost | [no description available] | medium | 1 | 0 | enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol | anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent |
| lanreotide | [no description available] | medium | 1 | 0 | | |
| lu 208075 | [no description available] | medium | 1 | 0 | diarylmethane | |
| acetylcarnitine | [no description available] | medium | 1 | 0 | O-acetylcarnitine;
saturated fatty acyl-L-carnitine | human metabolite;
Saccharomyces cerevisiae metabolite |
| nifurtoinol | [no description available] | medium | 1 | 0 | hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic | antibacterial drug;
antiinfective agent;
hepatotoxic agent |
| fosinopril | [no description available] | medium | 1 | 0 | | |
| eflucimibe | [no description available] | medium | 1 | 0 | | |
| etomoxir | [no description available] | medium | 1 | 0 | aromatic ether | |
| pentagastrin | [no description available] | medium | 1 | 0 | organic molecular entity | |
| gentamicin sulfate | [no description available] | medium | 1 | 0 | | |
| azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| vinflunine | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid | antineoplastic agent |
| baci-im | [no description available] | medium | 1 | 0 | homodetic cyclic peptide;
polypeptide;
zwitterion | antibacterial agent;
antimicrobial agent |
| pf 03491390 | [no description available] | medium | 1 | 0 | | |
| amodiaquine hydrochloride | [no description available] | medium | 1 | 0 | | |
| tannins | [no description available] | medium | 1 | 0 | tannin | |
| mesna | [no description available] | medium | 1 | 0 | organosulfonic acid | |
| cerivastatin sodium | [no description available] | medium | 1 | 0 | organic sodium salt;
statin (synthetic) | |
| monensin | [no description available] | medium | 1 | 0 | | |
| oxacillin sodium | [no description available] | medium | 1 | 0 | organic sodium salt | |
| sodium diatrizoate | [no description available] | medium | 2 | 0 | organic sodium salt;
organoiodine compound | radioopaque medium |
| ascorbic acid | [no description available] | medium | 6 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| chlortetracycline | [no description available] | medium | 1 | 0 | | |
| oxytetracycline, anhydrous | [no description available] | medium | 2 | 0 | | |
| minocycline | [no description available] | medium | 1 | 0 | | |
| dicumarol | [no description available] | medium | 3 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| acenocoumarol | [no description available] | medium | 2 | 0 | C-nitro compound;
hydroxycoumarin;
methyl ketone | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| mobic | [no description available] | medium | 2 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| mobiflex | [no description available] | medium | 2 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| warfarin | [no description available] | medium | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| phenprocoumon | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor |
| rolitetracycline | [no description available] | medium | 1 | 0 | | |
| lornoxicam | [no description available] | medium | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ajmaline | [no description available] | medium | 1 | 0 | | |
| entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| acyclovir | [no description available] | medium | 3 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| inosine | [no description available] | medium | 2 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| folic acid | [no description available] | medium | 2 | 0 | folic acids;
N-acyl-amino acid | human metabolite;
mouse metabolite;
nutrient |
| dacarbazine | [no description available] | medium | 2 | 0 | dacarbazine | |
| didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| ganciclovir | [no description available] | medium | 2 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| sildenafil | [no description available] | medium | 2 | 0 | piperazines;
pyrazolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| olanzapine | [no description available] | medium | 2 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine | antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor |
| penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
propane-1,3-diols | antiviral drug |
| oxypurinol | [no description available] | medium | 1 | 0 | pyrazolopyrimidine | drug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor |
| raltitrexed | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
| allopurinol | [no description available] | medium | 2 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| leucovorin | [no description available] | medium | 2 | 0 | formyltetrahydrofolic acid | Escherichia coli metabolite;
mouse metabolite |
| alanosine | [no description available] | medium | 1 | 0 | | |
| tirapazamine | [no description available] | medium | 1 | 0 | aromatic amine;
benzotriazines;
N-oxide | antibacterial agent;
antineoplastic agent;
apoptosis inducer |
| rifabutin | [no description available] | medium | 1 | 0 | | |
| benzimidazole | [no description available] | medium | 1 | 0 | benzimidazole;
polycyclic heteroarene | |
| acetophenone | [no description available] | medium | 2 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
| indazoles | [no description available] | medium | 1 | 0 | indazole | |
| imidazo(1,2-a)pyridine | [no description available] | medium | 1 | 0 | | |
| 4-aminoquinazoline | [no description available] | medium | 1 | 0 | | |
| y 27632 | [no description available] | medium | 1 | 0 | aromatic amide | |
| ha 1100 | [no description available] | medium | 1 | 0 | | |
| 2,3-dihydroxybenzoic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | human xenobiotic metabolite;
plant metabolite |
| protocatechuic acid | [no description available] | medium | 1 | 0 | catechols;
dihydroxybenzoic acid | antineoplastic agent;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| guaiacol | [no description available] | medium | 3 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material |
| quinolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist |
| 1,10-phenanthroline | [no description available] | medium | 3 | 0 | phenanthroline | EC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor |
| beta-resorcylic acid | [no description available] | medium | 1 | 0 | | |
| pyrithione | [no description available] | medium | 1 | 0 | monohydroxypyridine;
pyridinethione | ionophore |
| cloxyquin | [no description available] | medium | 2 | 0 | organochlorine compound;
quinolines | |
| fusaric acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
pyridines | |
| 2,5-dihydroxybenzoic acid | [no description available] | medium | 3 | 0 | dihydroxybenzoic acid | EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite |
| beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant 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 |
| carbostyril | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinolone | bacterial xenobiotic metabolite |
| 4-toluenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| 3-methylsalicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | bacterial xenobiotic metabolite |
| lawsone | [no description available] | medium | 1 | 0 | | |
| 5-methylsalicylic acid | [no description available] | medium | 1 | 0 | | |
| quinaldic acid | [no description available] | medium | 1 | 0 | quinolinemonocarboxylic acid | human metabolite;
Saccharomyces cerevisiae metabolite |
| 2,5-pyridinedicarboxylic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | |
| maltol | [no description available] | medium | 2 | 0 | 4-pyranones | metabolite |
| gamma-resorcylic acid | [no description available] | medium | 1 | 0 | dihydroxybenzoic acid | metabolite |
| dipicolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
| tropolone | [no description available] | medium | 1 | 0 | alpha-hydroxy ketone;
cyclic ketone;
enol | bacterial metabolite;
fungicide;
toxin |
| 1,2-dihydroxynaphthalene | [no description available] | medium | 1 | 0 | naphthalenediol | mouse metabolite |
| 8-aminoquinoline | [no description available] | medium | 1 | 0 | | |
| 6-methyluracil | [no description available] | medium | 1 | 0 | pyrimidone | metabolite |
| 2-pyrrolecarboxylic acid | [no description available] | medium | 1 | 0 | pyrrolecarboxylic acid | plant metabolite |
| 8-hydroxy-2-methylquinoline | [no description available] | medium | 1 | 0 | hydroxyquinoline | |
| 2-(2'-hydroxyphenyl)benzoxazole | [no description available] | medium | 2 | 0 | 1,3-benzoxazoles;
phenols | geroprotector |
| 3-hydroxypicolinic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid;
monohydroxypyridine | MALDI matrix material |
| 8-hydroxyquinoline N-oxide | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
quinoline N-oxide | |
| clopyralid | [no description available] | medium | 1 | 0 | organochlorine pesticide;
pyridines | herbicide |
| 2-(2-hydroxyphenyl)benzothiazole | [no description available] | medium | 2 | 0 | benzothiazoles;
phenols | geroprotector |
| ethyl maltol | [no description available] | medium | 1 | 0 | pyranone | |
| 2,3-dihydroxypyridine | [no description available] | medium | 1 | 0 | dihydroxypyridine | |
| acetylacetone | [no description available] | medium | 1 | 0 | beta-diketone | |
| 5-fluorosalicylic acid | [no description available] | medium | 1 | 0 | | |
| pyromeconic acid | [no description available] | medium | 1 | 0 | | |
| 2-hydroxypyrimidine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | electron donor;
Lewis base |
| allomaltol | [no description available] | medium | 1 | 0 | | |
| 1-hydroxy-2(1h)-pyridinone | [no description available] | medium | 1 | 0 | | |
| 2,2'-dipicolylamine | [no description available] | medium | 1 | 0 | | |
| 8-hydroxy-2-quinolinecarboxylic acid | [no description available] | medium | 1 | 0 | quinolines | |
| 3-chloro-2,4-pentanedione | [no description available] | medium | 1 | 0 | | |
| 1-methyl-2-ethyl-3-hydroxypyridin-4-one | [no description available] | medium | 1 | 0 | | |
| cp094 | [no description available] | medium | 1 | 0 | | |
| 1-methyl-3-hydroxypyridine-2-one | [no description available] | medium | 1 | 0 | | |
| 1-ethyl-2-methyl-3-hydroxypyridin-4-one | [no description available] | medium | 1 | 0 | | |
| 2-acetylcyclopentanone | [no description available] | medium | 1 | 0 | | |
| 8-(methylsulfonylamino)quinoline | [no description available] | medium | 1 | 0 | | |
| 1,4,7-triazacyclononane | [no description available] | medium | 1 | 0 | azacycloalkane;
crown amine;
saturated organic heteromonocyclic parent | |
| methylthiouracil | [no description available] | medium | 3 | 0 | pyrimidone | |
| 4,6-dimethyl-2-thiopyrimidine | [no description available] | medium | 1 | 0 | | |
| thiouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
thiocarbonyl compound | antithyroid drug;
metabolite |
| 4-thiouracil | [no description available] | medium | 1 | 0 | | |
| 3-hydroxy-2-methyl-4h-pyran-4-thione | [no description available] | medium | 1 | 0 | | |
| 2,4-diaminohypoxanthine | [no description available] | medium | 1 | 0 | hydroxypyrimidine | |
| 5-nitrosalicylic acid | [no description available] | medium | 1 | 0 | 4-nitrophenols;
monohydroxybenzoic acid | |
| 5-chlorosalicylic acid | [no description available] | medium | 2 | 0 | chlorobenzoic acid;
monochlorobenzenes;
monohydroxybenzoic acid | |
| histamine | [no description available] | medium | 2 | 0 | aralkylamino compound;
imidazoles | human metabolite;
mouse metabolite;
neurotransmitter |
| enprofylline | [no description available] | medium | 1 | 0 | oxopurine | anti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug |
| tacrine | [no description available] | medium | 1 | 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 | |
| altretamine | [no description available] | medium | 2 | 0 | triamino-1,3,5-triazine | |
| p-aminohippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | Daphnia magna metabolite |
| amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| amoxapine | [no description available] | medium | 2 | 0 | dibenzooxazepine | adrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor |
| amprolium | [no description available] | medium | 1 | 0 | pyridinium ion | coccidiostat |
| antazoline | [no description available] | medium | 1 | 0 | aromatic amine;
imidazolines;
tertiary amino compound | cholinergic antagonist;
H1-receptor antagonist;
xenobiotic |
| 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol | [no description available] | medium | 1 | 0 | aporphine alkaloid | |
| arecoline | [no description available] | medium | 1 | 0 | enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine | metabolite;
muscarinic agonist |
| astemizole | [no description available] | medium | 2 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
| bendroflumethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| benserazide | [no description available] | medium | 1 | 0 | carbohydrazide;
catechols;
primary alcohol;
primary amino compound | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| benzocaine | [no description available] | medium | 2 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| benzothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| bepridil | [no description available] | medium | 1 | 0 | pyrrolidines;
tertiary amine | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| bethanechol | [no description available] | medium | 1 | 0 | carbamate ester;
quaternary ammonium ion | muscarinic agonist |
| bisacodyl | [no description available] | medium | 2 | 0 | diarylmethane | |
| bretylium | [no description available] | medium | 1 | 0 | quaternary ammonium ion | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| bromhexine | [no description available] | medium | 1 | 0 | organobromine compound;
substituted aniline;
tertiary amino compound | mucolytic |
| seratrodast | [no description available] | medium | 1 | 0 | organic molecular entity | |
| butacaine | [no description available] | medium | 2 | 0 | benzoate ester | |
| butamben | [no description available] | medium | 3 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| carbamylcholine | [no description available] | medium | 1 | 0 | | |
| carbinoxamine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
pyridines;
tertiary amino compound | anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist |
| carteolol | [no description available] | medium | 1 | 0 | quinolone;
secondary alcohol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| aricine | [no description available] | medium | 1 | 0 | cinchona alkaloid | |
| clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| cromolyn | [no description available] | medium | 1 | 0 | chromones;
dicarboxylic acid | anti-asthmatic drug;
calcium channel blocker |
| cyclobenzaprine | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant;
muscle relaxant;
tranquilizing drug |
| debrisoquin | [no description available] | medium | 1 | 0 | carboxamidine;
isoquinolines | adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent |
| dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes;
mancude organic heterotricyclic parent | keratolytic drug |
| dibucaine | [no description available] | medium | 2 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dichlorphenamide | [no description available] | medium | 1 | 0 | dichlorobenzene;
sulfonamide | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug |
| dicyclomine | [no description available] | medium | 1 | 0 | carboxylic ester;
tertiary amine | antispasmodic drug;
muscarinic antagonist;
parasympatholytic |
| dilacor xr | [no description available] | medium | 1 | 0 | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | |
| dimethadione | [no description available] | medium | 1 | 0 | oxazolidinone | |
| diphenylpyraline | [no description available] | medium | 1 | 0 | piperidines;
tertiary amine | cholinergic antagonist;
H1-receptor antagonist |
| donepezil | [no description available] | medium | 1 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| dyclonine | [no description available] | medium | 1 | 0 | aromatic ketone;
piperidines | topical anaesthetic |
| dyphylline | [no description available] | medium | 2 | 0 | oxopurine;
propane-1,2-diols | bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent |
| ebselen | [no description available] | medium | 2 | 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 |
| profenamine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amino compound | adrenergic antagonist;
antidyskinesia agent;
antiparkinson drug;
histamine antagonist;
muscarinic antagonist |
| ethosuximide | [no description available] | medium | 1 | 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 |
| fenoldopam | [no description available] | medium | 1 | 0 | benzazepine | alpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent |
| gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| glimepiride | [no description available] | medium | 1 | 0 | sulfonamide | |
| guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| guanethidine | [no description available] | medium | 1 | 0 | azocanes;
guanidines | adrenergic antagonist;
antihypertensive agent;
sympatholytic agent |
| hexoprenaline | [no description available] | medium | 1 | 0 | | |
| hexamethylene bisacetamide | [no description available] | medium | 2 | 0 | acetamides | |
| hycanthone | [no description available] | medium | 2 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydroflumethiazide | [no description available] | medium | 2 | 0 | benzothiadiazine;
thiazide | antihypertensive agent;
diuretic |
| iodoquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline;
organoiodine compound | antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug |
| isoetharine | [no description available] | medium | 1 | 0 | catecholamine | |
| letrozole | [no description available] | medium | 1 | 0 | nitrile;
triazoles | antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| ly 171883 | [no description available] | medium | 2 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| meclofenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
organochlorine compound;
secondary amino compound | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| memantine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
| mephenesin | [no description available] | medium | 3 | 0 | aromatic ether;
glycerol ether | |
| benzoic acid [2-methyl-2-(propylamino)propyl] ester | [no description available] | medium | 1 | 0 | benzoate ester | |
| methapyrilene | [no description available] | medium | 1 | 0 | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| methocarbamol | [no description available] | medium | 2 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| acecainide | [no description available] | medium | 2 | 0 | acetamides;
benzamides | anti-arrhythmia drug |
| nadolol | [no description available] | medium | 1 | 0 | tetralins | |
| nafronyl | [no description available] | medium | 1 | 0 | naphthalenes | |
| naftopidil | [no description available] | medium | 1 | 0 | piperazines | |
| naphazoline | [no description available] | medium | 1 | 0 | naphthalenes | |
| neostigmine | [no description available] | medium | 1 | 0 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| nicardipine | [no description available] | medium | 1 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| nilvadipine | [no description available] | medium | 1 | 0 | dihydropyridine;
isopropyl ester;
methyl ester;
nitrile | |
| nitromide | [no description available] | medium | 1 | 0 | | |
| nomifensine | [no description available] | medium | 1 | 0 | isoquinolines | dopamine uptake inhibitor |
| 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one | [no description available] | medium | 1 | 0 | isoquinolines | |
| nylidrin | [no description available] | medium | 1 | 0 | alkylbenzene | |
| ofloxacin | [no description available] | medium | 3 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
| oxibendazole | [no description available] | medium | 1 | 0 | benzimidazoles;
carbamate ester | |
| benoxinate | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound | drug allergen;
local anaesthetic;
topical anaesthetic |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| pargyline | [no description available] | medium | 1 | 0 | aromatic amine | |
| pentamidine | [no description available] | medium | 1 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
| perhexiline | [no description available] | medium | 1 | 0 | piperidines | cardiovascular drug |
| phenacemide | [no description available] | medium | 1 | 0 | acetamides | |
| 1,3a,8-Trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | [no description available] | medium | 1 | 0 | pyrroloindole | |
| 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 | 2 | 0 | organonitrogen compound;
organooxygen compound | |
| pirenzepine | [no description available] | medium | 1 | 0 | pyridobenzodiazepine | anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist |
| piretanide | [no description available] | medium | 1 | 0 | aromatic ether | |
| duodote | [no description available] | medium | 1 | 0 | pyridinium ion | antidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator |
| proadifen | [no description available] | medium | 1 | 0 | diarylmethane | |
| procaine | [no description available] | medium | 1 | 0 | benzoate ester;
substituted aniline;
tertiary amino compound | central nervous system depressant;
drug allergen;
local anaesthetic;
peripheral nervous system drug |
| propafenone | [no description available] | medium | 1 | 0 | aromatic ketone;
secondary alcohol;
secondary amino compound | anti-arrhythmia drug |
| protriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound | antidepressant |
| roxarsone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
organoarsonic acid | agrochemical;
animal growth promotant;
antibacterial drug;
coccidiostat |
| salicylsalicylic acid | [no description available] | high | 2 | 0 | benzoate ester;
benzoic acids;
phenols;
salicylates | antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| spiperone | [no description available] | medium | 2 | 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 | 2 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfisoxazole | [no description available] | medium | 2 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
| telenzepine | [no description available] | medium | 1 | 0 | benzodiazepine | |
| tetrahydroxy-1,4-quinone | [no description available] | medium | 1 | 0 | hydroxybenzoquinone | keratolytic drug |
| 2-thiosalicylic acid | [no description available] | medium | 1 | 0 | sulfanylbenzoic acid | antipyretic;
non-narcotic analgesic |
| thiotepa | [no description available] | medium | 1 | 0 | aziridines | |
| tolazoline | [no description available] | medium | 1 | 0 | imidazoles | alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent |
| tolnaftate | [no description available] | medium | 2 | 0 | monothiocarbamic ester | antifungal drug |
| trapidil | [no description available] | medium | 2 | 0 | triazolopyrimidines | |
| trifluperidol | [no description available] | medium | 1 | 0 | aromatic ketone | |
| trimebutine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
| trimeprazine | [no description available] | medium | 1 | 0 | phenothiazines | |
| trioxsalen | [no description available] | medium | 1 | 0 | psoralens | dermatologic drug;
photosensitizing agent |
| tropicamide | [no description available] | medium | 1 | 0 | acetamides | |
| urapidil | [no description available] | medium | 1 | 0 | piperazines | |
| urethane | [no description available] | medium | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
| xylazine | [no description available] | medium | 2 | 0 | 1,3-thiazine;
methylbenzene;
secondary amino compound | alpha-adrenergic agonist;
analgesic;
emetic;
muscle relaxant;
sedative |
| xylometazoline | [no description available] | medium | 1 | 0 | alkylbenzene | |
| metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound | |
| ethopabate | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| cysteamine | [no description available] | medium | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| acepromazine | [no description available] | medium | 1 | 0 | aromatic ketone;
methyl ketone;
phenothiazines;
tertiary amino compound | phenothiazine antipsychotic drug |
| methoxamine | [no description available] | medium | 1 | 0 | amphetamines | alpha-adrenergic agonist;
antihypotensive agent |
| cloxacillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug |
| zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
| berlition | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid | cofactor;
nutraceutical;
prosthetic group |
| cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion | antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist |
| trifluridine | [no description available] | medium | 2 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| mepenzolate bromide | [no description available] | medium | 1 | 0 | diarylmethane | |
| pantothenic acid | [no description available] | medium | 1 | 0 | pantothenic acid;
vitamin B5 | antidote to curare poisoning;
geroprotector;
human blood serum metabolite |
| sulfachlorpyridazine | [no description available] | medium | 1 | 0 | organochlorine compound;
pyridazines;
sulfonamide | antibacterial drug;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| phensuximide | [no description available] | medium | 1 | 0 | pyrrolidines | |
| dimethisoquin | [no description available] | medium | 1 | 0 | isoquinolines | |
| pyridostigmine bromide | [no description available] | medium | 2 | 0 | pyridinium salt | |
| benzonatate | [no description available] | medium | 1 | 0 | benzoate ester;
secondary amino compound;
substituted aniline | anaesthetic;
antitussive |
| chloroprocaine | [no description available] | medium | 1 | 0 | benzoate ester;
monochlorobenzenes | central nervous system depressant;
local anaesthetic;
peripheral nervous system drug |
| propantheline bromide | [no description available] | medium | 2 | 0 | xanthenes | |
| 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 | 1 | 0 | diarylmethane | |
| 4-(benzoylamino)-2-hydroxybenzoic acid | [no description available] | medium | 1 | 0 | benzamides | |
| trimetozine | [no description available] | medium | 1 | 0 | morpholines | |
| docosanol | [no description available] | medium | 1 | 0 | docosanol;
long-chain primary fatty alcohol | antiviral drug;
plant metabolite |
| tetramethylpyrazine | [no description available] | medium | 2 | 0 | alkaloid;
pyrazines | antineoplastic agent;
apoptosis inhibitor;
bacterial metabolite;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| flurandrenolone | [no description available] | medium | 2 | 0 | 21-hydroxy steroid | |
| flumethasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| dicloxacillin | [no description available] | medium | 1 | 0 | dichlorobenzene;
penicillin | antibacterial drug |
| tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
| beclomethasone | [no description available] | medium | 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 | |
| metergoline | [no description available] | medium | 2 | 0 | 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 | | |
| indoramin | [no description available] | medium | 1 | 0 | tryptamines | |
| carbidopa | [no description available] | medium | 1 | 0 | catechols;
hydrazines;
monocarboxylic acid | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| torsemide | [no description available] | medium | 1 | 0 | aminopyridine;
N-sulfonylurea;
secondary amino compound | antihypertensive agent;
loop diuretic |
| indalpine | [no description available] | medium | 1 | 0 | indoles | |
| lidamidine | [no description available] | medium | 1 | 0 | ureas | |
| talniflumate | [no description available] | medium | 1 | 0 | benzofurans | |
| nedocromil | [no description available] | medium | 1 | 0 | dicarboxylic acid;
organic heterotricyclic compound | anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug |
| dazoxiben | [no description available] | medium | 1 | 0 | | |
| tolrestat | [no description available] | medium | 1 | 0 | naphthalenes | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| remoxipride | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| alpidem | [no description available] | medium | 1 | 0 | imidazoles | |
| dopexamine | [no description available] | medium | 1 | 0 | catecholamine | |
| lonapalene | [no description available] | medium | 1 | 0 | naphthalenes;
organochlorine compound | |
| ipsapirone | [no description available] | medium | 1 | 0 | N-arylpiperazine | |
| sematilide | [no description available] | medium | 1 | 0 | | |
| remacemide | [no description available] | medium | 1 | 0 | stilbenoid | |
| paroxetine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| verapamil hydrochloride | [no description available] | medium | 2 | 0 | | |
| fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
| proxicromil | [no description available] | medium | 1 | 0 | | |
| torbafylline | [no description available] | medium | 1 | 0 | | |
| enrofloxacin | [no description available] | medium | 2 | 0 | cyclopropanes;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | antibacterial agent;
antimicrobial agent;
antineoplastic agent |
| uk 68798 | [no description available] | medium | 1 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| mepindolol | [no description available] | medium | 1 | 0 | indoles | |
| fpl 52791 | [no description available] | medium | 1 | 0 | | |
| epanolol | [no description available] | medium | 1 | 0 | acetamides | |
| methotrimeprazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| 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 |
| fpl 55712 | [no description available] | medium | 1 | 0 | aromatic ketone | |
| sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine;
pivalate ester | |
| fpl-52694 | [no description available] | medium | 1 | 0 | | |
| ramatroban | [no description available] | medium | 1 | 0 | organic molecular entity | |
| xaliproden | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
naphthalenes;
tertiary amino compound;
tetrahydropyridine | serotonergic agonist |
| n-isobutyrylcysteine | [no description available] | medium | 1 | 0 | | |
| dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol;
monocarboxylic acid amide | cholinergic drug;
provitamin |
| quilostigmine | [no description available] | medium | 1 | 0 | pyrroloindole | |
| imiloxan | [no description available] | medium | 1 | 0 | benzodioxine | |
| aspartame | [no description available] | medium | 1 | 0 | carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester | apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic |
| tempol | [no description available] | medium | 1 | 0 | aminoxyls;
hydroxypiperidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
catalyst;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
radical scavenger |
| vatalanib | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound | angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| clevidipine | [no description available] | medium | 1 | 0 | dihydropyridine | |
| hyoscyamine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| lactitol | [no description available] | medium | 1 | 0 | glycosyl alditol | cathartic;
excipient;
laxative |
| fpl 52757 | [no description available] | medium | 1 | 0 | | |
| fpl 59257 | [no description available] | medium | 1 | 0 | | |
| ropivacaine | [no description available] | medium | 1 | 0 | piperidinecarboxamide;
ropivacaine | local anaesthetic |
| erlotinib | [no description available] | medium | 1 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| zeneca zd 6169 | [no description available] | medium | 1 | 0 | | |
| sibenadet | [no description available] | medium | 1 | 0 | | |
| latrepirdine | [no description available] | medium | 1 | 0 | methylpyridines;
pyridoindole | geroprotector |
| ramelteon | [no description available] | medium | 1 | 0 | indanes | |
| 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 |
| phenethicillin | [no description available] | medium | 1 | 0 | penicillin allergen;
penicillin | |
| 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 |
| linezolid | [no description available] | medium | 1 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| (S)-bicalutamide | [no description available] | medium | 1 | 0 | N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide | |
| halcinonide | [no description available] | medium | 1 | 0 | organic molecular entity | SMO receptor agonist |
| metrizamide | [no description available] | medium | 1 | 0 | amino sugar | |
| chlorprothixene | [no description available] | medium | 1 | 0 | chlorprothixene | |
| crotamiton | [no description available] | medium | 1 | 0 | | |
| flunarizine | [no description available] | medium | 1 | 0 | diarylmethane | |
| benztropine | [no description available] | medium | 1 | 0 | diarylmethane | |
| scopolamine | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid | |
| ranitidine | [no description available] | medium | 1 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| almokalant | [no description available] | medium | 1 | 0 | | |
| quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| 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 |
| vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
| pheniramine maleate | [no description available] | medium | 1 | 0 | organic molecular entity | |
| triprolidine | [no description available] | medium | 2 | 0 | N-alkylpyrrolidine;
olefinic compound;
pyridines | H1-receptor antagonist |
| homatropine | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| ar c67085mx | [no description available] | medium | 1 | 0 | | |
| desoximetasone | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| sb 223412 | [no description available] | medium | 1 | 0 | | |
| su 11248 | [no description available] | 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 |
| zimeldine | [no description available] | medium | 1 | 0 | styrenes | |
| 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 | 1 | 0 | | |
| lecozotan | [no description available] | medium | 1 | 0 | | |
| ar c155858 | [no description available] | medium | 1 | 0 | | |
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | medium | 1 | 0 | methoxybenzenes;
substituted aniline | |
| azd 7545 | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide | EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent |
| clavulanate potassium | [no description available] | medium | 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 | | |
| carbadox | [no description available] | medium | 1 | 0 | quinoxaline derivative | |
| fenobam | [no description available] | medium | 1 | 0 | ureas | |
| 4-nitrobenzohydroxamic acid | [no description available] | medium | 1 | 0 | | |
| benzamidoxime | [no description available] | medium | 1 | 0 | amidoxime | bacterial metabolite;
genotoxin;
mammalian metabolite |
| gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 9-xylosyladenine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| malic acid | [no description available] | medium | 1 | 0 | 2-hydroxydicarboxylic acid;
C4-dicarboxylic acid | food acidity regulator;
fundamental metabolite |
| 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 | |
| pyrazinoic acid | [no description available] | medium | 1 | 0 | pyrazinecarboxylic acid | antitubercular agent;
drug metabolite |
| 1,3-dipropyl-8-cyclopentylxanthine | [no description available] | medium | 1 | 0 | oxopurine | adenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| 2,2'-dipyridyl | [no description available] | medium | 1 | 0 | bipyridine | chelator;
ferroptosis inhibitor |
| ro 5-4864 | [no description available] | medium | 1 | 0 | | |
| 4-aminopyridine | [no description available] | medium | 1 | 0 | aminopyridine;
aromatic amine | avicide;
orphan drug;
potassium channel blocker |
| 5,8,11,14-eicosatetraynoic acid | [no description available] | medium | 1 | 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 | 1 | 0 | | |
| aa 861 | [no description available] | medium | 1 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis 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 | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite |
| bay-k-8644 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester | |
| brimonidine | [no description available] | medium | 1 | 0 | imidazoles;
quinoxaline derivative;
secondary amine | adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent |
| bufexamac | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| chlorthalidone | [no description available] | medium | 1 | 0 | isoindoles;
monochlorobenzenes;
sulfonamide | |
| cilostazol | [no description available] | medium | 1 | 0 | lactam;
tetrazoles | anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| dichlorophen | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide;
diarylmethane | |
| domperidone | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
| dipropizine | [no description available] | medium | 1 | 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 | 1 | 0 | aromatic ether | |
| myambutol | [no description available] | medium | 1 | 0 | amino alcohol | |
| 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 |
| flumequine | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid;
organofluorine compound;
pyridoquinoline;
quinolone antibiotic | |
| glipizide | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines | EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue |
| fluorometholone | [no description available] | medium | 1 | 0 | | |
| 1-(5-isoquinolinesulfonyl)-2-methylpiperazine | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonylpiperazine | EC 2.7.11.13 (protein kinase C) inhibitor |
| harmaline | [no description available] | medium | 1 | 0 | harmala alkaloid | oneirogen |
| indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| edaravone | [no description available] | medium | 1 | 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 |
| cm 7116 | [no description available] | medium | 1 | 0 | benzodiazepine | |
| phenindione | [no description available] | medium | 1 | 0 | aromatic ketone;
beta-diketone | anticoagulant |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| pirenperone | [no description available] | medium | 1 | 0 | aromatic ketone | |
| proxyphylline | [no description available] | medium | 1 | 0 | oxopurine | |
| pf 5901 | [no description available] | medium | 1 | 0 | quinolines | |
| ritanserin | [no description available] | medium | 1 | 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 | 1 | 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 |
| terazosin | [no description available] | medium | 1 | 0 | furans;
piperazines;
primary amino compound;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent |
| tinidazole | [no description available] | medium | 1 | 0 | imidazoles | antiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug |
| trichlormethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide antibiotic | antihypertensive agent;
diuretic |
| tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger;
primary amino compound;
tyramines | EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter |
| vesamicol | [no description available] | medium | 1 | 0 | piperidines | |
| zopiclone | [no description available] | medium | 1 | 0 | monochloropyridine;
pyrrolopyrazine | central nervous system depressant;
sedative |
| 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 | |
| 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 | 1 | 0 | N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt | nicotinic acetylcholine receptor agonist |
| desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| 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 |
| 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 | | |
| bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt;
quaternary ammonium salt | adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent |
| methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
| androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| fluocinolone acetonide | [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;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| chlorpromazine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
phenothiazines | anticoronaviral agent;
phenothiazine antipsychotic drug |
| cytarabine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
| isopropamide iodide | [no description available] | medium | 1 | 0 | diarylmethane | |
| lidocaine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | anti-arrhythmia drug;
local anaesthetic |
| 9,10-phenanthrenequinone | [no description available] | medium | 1 | 0 | phenanthrenes | |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| mecoprop | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| 2-methyl-4-chlorophenoxyacetic acid | [no description available] | medium | 1 | 0 | chlorophenoxyacetic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
synthetic auxin |
| arsanilic acid | [no description available] | medium | 1 | 0 | organoarsonic acid | |
| 3-aminobenzoic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid | |
| thiodipropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid | |
| 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 |
| 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 | 1 | 0 | purine nucleoside | |
| diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| tripelennamine hydrochloride | [no description available] | medium | 1 | 0 | | |
| 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 |
| xanthinol niacinate | [no description available] | medium | 1 | 0 | | |
| medroxyprogesterone | [no description available] | medium | 1 | 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 | 1 | 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] | high | 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 | |
| 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 | |
| guaiacoxyacetic acid | [no description available] | medium | 1 | 0 | | |
| methylene diphosphonate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | bone density conservation agent;
chelator |
| amiloride hydrochloride, anhydrous | [no description available] | medium | 1 | 0 | hydrochloride | diuretic;
sodium channel blocker |
| azaribine | [no description available] | medium | 1 | 0 | acetate ester;
N-glycosyl-1,2,4-triazine | antipsoriatic;
prodrug |
| hydrocortisone hemisuccinate | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone | |
| antazoline hydrochloride | [no description available] | medium | 1 | 0 | | |
| mebeverine hydrochloride | [no description available] | medium | 1 | 0 | | |
| clidinium bromide | [no description available] | medium | 1 | 0 | | |
| diloxanide furoate | [no description available] | medium | 1 | 0 | carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide | antiamoebic agent;
prodrug |
| nitroxoline | [no description available] | medium | 1 | 0 | C-nitro compound;
monohydroxyquinoline | antifungal agent;
antiinfective agent;
antimicrobial agent;
renal agent |
| alverine citrate | [no description available] | medium | 1 | 0 | citrate salt;
organoammonium salt | antispasmodic drug;
cholinergic antagonist |
| cyclogyl | [no description available] | medium | 1 | 0 | | |
| 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 | 1 | 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 | |
| clobetasol propionate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug |
| frentizole | [no description available] | medium | 1 | 0 | | |
| eterobarb | [no description available] | medium | 1 | 0 | barbiturates | |
| 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 | | |
| 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 | 1 | 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 | 3 | 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 | 2 | 0 | 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 | 1 | 0 | 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 | | |
| 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 | | |
| 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 | 1 | 0 | corticosteroid hormone | |
| bicuculline methiodide | [no description available] | medium | 1 | 0 | | |
| beta-carboline-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 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 | | |
| 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 | 1 | 0 | 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 | |
| medrysone | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| artisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| chondocurine (1beta)-(+-)-isomer | [no description available] | medium | 1 | 0 | aromatic ether | |
| 4-methoxyxanthone | [no description available] | medium | 1 | 0 | | |
| 2-methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide | [no description available] | medium | 1 | 0 | amine | |
| mandelic acid, (s)-isomer | [no description available] | medium | 1 | 0 | (2S)-2-hydroxy monocarboxylic acid;
mandelic acid | |
| tosylphenylalanyl chloromethyl ketone | [no description available] | medium | 1 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
| 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 | |
| vinpocetine | [no description available] | medium | 1 | 0 | alkaloid | geroprotector |
| 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 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| adenosine-5'-(n-ethylcarboxamide) | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
| thermospine | [no description available] | medium | 1 | 0 | | |
| dibenzylidene acetone | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-1,3-dimethyl-6-thiophen-2-yl-8-cyclohepta[c]furanone | [no description available] | medium | 1 | 0 | cycloheptafuran | |
| 5-[(5-methoxycarbonyl-2-methyl-3-furanyl)methoxy]-2-methyl-3-benzofurancarboxylic acid 2-methoxyethyl ester | [no description available] | medium | 1 | 0 | 2-methoxyethyl ester;
benzofurans | |
| 5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| haplamine | [no description available] | medium | 1 | 0 | organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle | |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| diethylstilbestrol dipropionate | [no description available] | medium | 1 | 0 | | |
| (1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| glycerylphosphorylcholine | [no description available] | medium | 1 | 0 | phosphocholines;
sn-glycerol 3-phosphates | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite |
| n-methylscopolamine nitrate | [no description available] | medium | 1 | 0 | | |
| phenytoin sodium | [no description available] | medium | 1 | 0 | | |
| nsc 4347 | [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 | 1 | 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 | |
| 2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one | [no description available] | medium | 1 | 0 | benzoxazine | |
| 4-methoxy-N-(3-pyridinylmethyl)benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| caffeic acid | [no description available] | medium | 2 | 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] | medium | 1 | 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 | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| 9-hydroxy-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,3-dihydro-1H-[1]benzopyrano[3,4-b]pyridin-5-one | [no description available] | medium | 1 | 0 | pyridochromene | |
| 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester | [no description available] | medium | 1 | 0 | chromones | |
| 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| [2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone | [no description available] | medium | 1 | 0 | quinolines | |
| 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| N-[4-(4-morpholinyl)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide | [no description available] | medium | 1 | 0 | aromatic amide;
furans | |
| 2-(8-methoxy-2-methyl-4-oxo-1-quinolinyl)-N-(2-methoxyphenyl)acetamide | [no description available] | medium | 1 | 0 | quinolines | |
| N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-2-furancarboxamide | [no description available] | medium | 1 | 0 | quinolines | |
| cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane;
N-alkylpiperazine;
olefinic compound | anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist |
| 2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone | [no description available] | medium | 1 | 0 | stilbenoid | |
| 1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea | [no description available] | medium | 1 | 0 | benzothiazoles | |
| N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine | [no description available] | medium | 1 | 0 | dimethoxybenzene | |
| 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxo-2-phenyl-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester | [no description available] | medium | 1 | 0 | flavones;
tert-butyl ester | |
| ethylenethiourea | [no description available] | medium | 1 | 0 | imidazolidines | |
| p-aminosalicylic acid monosodium salt | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mecysteine hydrochloride | [no description available] | medium | 1 | 0 | alpha-amino acid ester | |
| 2-(2-furanyl)-4-thiazolidinecarboxylic acid | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| dihydrosamidine | [no description available] | medium | 1 | 0 | | |
| N-(2-methoxycyclohexyl)-3,4-dimethylaniline | [no description available] | medium | 1 | 0 | methylbenzene | |
| 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 | |
| zeranol | [no description available] | medium | 1 | 0 | macrolide | |
| 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 | 1 | 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 | |
| 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 | 1 | 0 | cortisol ester;
glucocorticoid;
primary alpha-hydroxy ketone;
valerate ester | |
| prostaglandin f2 methyl ester | [no description available] | medium | 1 | 0 | prostanoid | |
| 2-bromoergocryptine mesylate | [no description available] | medium | 1 | 0 | | |
| perhexiline maleate | [no description available] | medium | 1 | 0 | | |
| phenoxybenzamine hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| phenylephrine hydrochloride | [no description available] | medium | 1 | 0 | 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 |
| cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin;
lactam;
lactone;
organic heterotricyclic compound | actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor |
| u-44619 | [no description available] | medium | 1 | 0 | | |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| nifuroxazide | [no description available] | medium | 1 | 0 | benzoic acids | |
| rg 13022 | [no description available] | medium | 1 | 0 | | |
| styrylquinoline | [no description available] | medium | 1 | 0 | 2-styrylquinoline | |
| 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 |
| 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 | 1 | 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 | 1 | 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 |
| 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 |
| demeclocycline hydrochloride | [no description available] | medium | 1 | 0 | | |
| 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 |
| 2-phenylacetamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide | mouse metabolite |
| n-acetyltyramine | [no description available] | medium | 1 | 0 | acetamides;
tyramines | animal metabolite;
Aspergillus metabolite;
bacterial metabolite;
marine metabolite;
quorum sensing inhibitor |
| 2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
| indole | [no description available] | medium | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
| 2-nitrophenol | [no description available] | medium | 1 | 0 | 2-nitrophenols | |
| 2-phenylindole | [no description available] | medium | 1 | 0 | phenylindole | |
| 2-(2'-hydroxyphenyl)benzimidazole | [no description available] | medium | 1 | 0 | | |
| 2,3-dimethylhydroquinone | [no description available] | medium | 1 | 0 | | |
| 2-(2-methoxyphenyl)-1H-indole | [no description available] | medium | 1 | 0 | phenylindole | |
| salicylaldehyde | [no description available] | medium | 2 | 0 | hydroxybenzaldehyde | nematicide;
plant metabolite |
| 1,2-diaminobenzene | [no description available] | medium | 1 | 0 | phenylenediamine | hydrogen donor |
| ethyl salicylate | [no description available] | medium | 1 | 0 | hydroxybenzoic acid | |
| 1,3-benzodioxole | [no description available] | medium | 1 | 0 | benzodioxole | |
| hydroxyhydroquinone | [no description available] | medium | 1 | 0 | benzenetriol | mouse metabolite |
| 1,8-dihydroxynaphthalene | [no description available] | medium | 1 | 0 | naphthalenediol | fungal metabolite |
| 1,2-benzenedithiol | [no description available] | medium | 1 | 0 | | |
| 3,4-dihydroxybenzylamine | [no description available] | medium | 1 | 0 | catechols | |
| 3,4-dihydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | | |
| a 3253 | [no description available] | medium | 1 | 0 | catechols | |
| methyl 3,4-dihydroxybenzoate | [no description available] | medium | 1 | 0 | catechols;
methyl ester | antioxidant;
neuroprotective agent;
plant metabolite |
| Nomega-hydroxy-nor-l-arginine | [no description available] | medium | 1 | 0 | L-alpha-amino acid | |
| 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 |
| (S)-2-amino-6-boronohexanoic acid | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid;
organoboron compound | |
| 2,5-hexanedione | [no description available] | medium | 1 | 0 | diketone;
methyl ketone | human xenobiotic metabolite;
neurotoxin |
| nickel | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| acedoben | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| 4-aminobenzoic acid | [no description available] | medium | 2 | 0 | aminobenzoate;
aromatic amino-acid anion | Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| niclosamide | [no description available] | medium | 8 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
| ethenzamide | [no description available] | medium | 5 | 0 | organic molecular entity | |
| cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| pterostilbene | [no description available] | medium | 1 | 0 | diether;
methoxybenzenes;
stilbenol | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger |
| stilbenes | [no description available] | medium | 1 | 0 | stilbene | |
| nitazoxanide | [no description available] | medium | 1 | 0 | benzamides;
carboxylic ester | |
| thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| alkenes | [no description available] | medium | 1 | 0 | | |
| aluminum | [no description available] | medium | 1 | 0 | boron group element atom;
elemental aluminium;
metal atom | |
| 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 |
| salicylates | [no description available] | medium | 63 | 0 | monohydroxybenzoate | plant metabolite |
| mannich bases | [no description available] | medium | 2 | 0 | | |
| pyridoxal | [no description available] | medium | 1 | 0 | hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| boranes | [no description available] | medium | 1 | 0 | boranes;
mononuclear parent hydride | |
| quinoxalines | [no description available] | medium | 1 | 0 | mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene | |
| salicylurate | [no description available] | medium | 1 | 0 | N-acylglycine;
secondary carboxamide | human xenobiotic metabolite;
uremic toxin |
| vanadium | [no description available] | medium | 1 | 0 | elemental vanadium;
vanadium group element atom | micronutrient |
| terbium | [no description available] | medium | 1 | 0 | f-block element atom;
lanthanoid atom | |
| nitrates | [no description available] | medium | 2 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| silver | [no description available] | medium | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| diethylamine salicylate | [no description available] | medium | 2 | 0 | | |
| chloralose | [no description available] | medium | 1 | 0 | | |
| sodium salicylate | [no description available] | medium | 7 | 0 | organic molecular entity | |
| glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| glycosides | [no description available] | medium | 4 | 0 | | |
| glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
| nitrophenols | [no description available] | medium | 4 | 0 | | |
| carbon tetrachloride | [no description available] | medium | 1 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug |
| glycyrrhizic acid | [no description available] | medium | 1 | 0 | enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin | EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite |
| deuterium | [no description available] | medium | 2 | 0 | dihydrogen | |
| gentisamide | [no description available] | medium | 3 | 0 | | |
| salicylaldoxime | [no description available] | medium | 1 | 0 | | |
| phenyl acetate | [no description available] | medium | 1 | 0 | benzenes;
phenyl acetates | |
| malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
| propyphenazone | [no description available] | medium | 1 | 0 | pyrazolone | non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| mannose | [no description available] | medium | 1 | 0 | D-aldohexose;
D-mannose;
mannopyranose | metabolite |
| concanamycin f | [no description available] | medium | 1 | 0 | | |
| prostaglandin d2 | [no description available] | medium | 1 | 1 | prostaglandins D | human metabolite;
mouse metabolite |
| leukotriene e4 | [no description available] | medium | 1 | 1 | amino dicarboxylic acid;
L-cysteine thioether;
leukotriene;
non-proteinogenic L-alpha-amino acid;
secondary alcohol | |
| benzo(a)pyrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| 16,16-dimethylprostaglandin f2alpha | [no description available] | medium | 1 | 0 | | |
| 4-nitrosodimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline;
nitroso compound;
tertiary amino compound | |
| nad | [no description available] | medium | 2 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| galactosamine | [no description available] | medium | 2 | 0 | D-galactosamine;
primary amino compound | toxin |
| 2-acetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
| harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite |
| paraoxon | [no description available] | medium | 1 | 0 | aryl dialkyl phosphate;
organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite |
| pentachlorophenol | [no description available] | medium | 2 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| caseins | [no description available] | medium | 1 | 0 | | |
| chondroitin sulfates | [no description available] | medium | 1 | 0 | | |
| 3-methylcholanthrene | [no description available] | medium | 2 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| ethoxyresorufin | [no description available] | medium | 1 | 0 | phenoxazine | |
| cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
| sulfur | [no description available] | medium | 1 | 0 | chalcogen;
nonmetal atom | macronutrient |
| taurine | [no description available] | medium | 1 | 0 | amino sulfonic acid;
zwitterion | antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite |
| bromine | [no description available] | medium | 1 | 0 | diatomic bromine | |
| phosphoadenosine phosphosulfate | [no description available] | medium | 1 | 0 | acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate | Escherichia coli metabolite;
mouse metabolite |
| thromboxane b2 | [no description available] | medium | 1 | 0 | thromboxanes B | human metabolite;
mouse metabolite |
| sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| D-fructopyranose | [no description available] | medium | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
| azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| daidzein | [no description available] | medium | 1 | 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 |
| sulfobromophthalein | [no description available] | medium | 1 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| genistein | [no description available] | medium | 1 | 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 |
| bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen |
| succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid | anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent |
| arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
| carsalam | [no description available] | medium | 2 | 0 | benzoxazine | |
| uridine diphosphate glucuronic acid | [no description available] | medium | 4 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| hexachlorocyclopentadiene | [no description available] | medium | 1 | 0 | | |
| salicylamide-2-acetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | |
| potassium fluoride | [no description available] | medium | 1 | 0 | fluoride salt;
potassium salt | NMR chemical shift reference compound;
poison |
| fluorides | [no description available] | medium | 1 | 0 | halide anion;
monoatomic fluorine | |
| carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
| benzo(a)pyrene-3,6-quinone | [no description available] | medium | 2 | 0 | | |
| rhodamine b | [no description available] | medium | 1 | 0 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
| xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
| 2,6-dichloro-4-nitrophenol | [no description available] | medium | 2 | 0 | | |
| triiodothyronine sulfate | [no description available] | medium | 1 | 0 | aryl sulfate;
O-sulfoamino acid | human metabolite |
| 3,3'-diiodothyronine | [no description available] | medium | 2 | 0 | 3,3'-diiodothyronine;
amino acid zwitterion | human metabolite |
| nitric acid | [no description available] | medium | 1 | 0 | nitrogen oxoacid | protic solvent;
reagent |
| uridine diphosphate glucose | [no description available] | medium | 2 | 0 | UDP-D-glucose | fundamental metabolite |
| thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
| concanavalin a | [no description available] | medium | 1 | 0 | | |
| sodium sulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
| triiodothyronine, reverse | [no description available] | medium | 1 | 0 | 3,3',5'-triiodothyronine;
amino acid zwitterion | |
| acetaminophen glucuronide | [no description available] | medium | 1 | 0 | beta-D-glucosiduronic acid | drug metabolite |
| pyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | cofactor;
fundamental metabolite |
| benzo(a)pyrene-3-o-glucuronide | [no description available] | medium | 1 | 0 | | |
| pentazocine | [no description available] | medium | 1 | 0 | benzazocine | |
| chlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine | antihypertensive agent;
diuretic |
| zofenopril | [no description available] | medium | 1 | 0 | aryl sulfide;
L-proline derivative;
N-acyl-L-amino acid;
thioester | anticonvulsant;
apoptosis inhibitor;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug;
vasodilator agent |
| acemetacin | [no description available] | low | 0 | 0 | carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| alminoprofen | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| amfenac | [no description available] | low | 0 | 0 | amino acid;
benzophenones;
oxo monocarboxylic acid;
primary amino compound;
substituted aniline | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ampyrone | [no description available] | low | 0 | 0 | primary amino compound;
pyrazolone | antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| acetovanillone | [no description available] | low | 0 | 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 |
| dipyrone | [no description available] | low | 0 | 0 | amino sulfonic acid;
pyrazoles | anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug |
| kebuzone | [no description available] | low | 0 | 0 | methyl ketone;
pyrazolidines | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| loxoprofen | [no description available] | low | 0 | 0 | cyclopentanones;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| phenazopyridine | [no description available] | low | 0 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| proglumetacin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| suxibuzone | [no description available] | low | 0 | 0 | hemisuccinate;
monocarboxylic acid;
pyrazolidines | antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug |
| noramidopyrine | [no description available] | low | 0 | 0 | pyrazoles;
secondary amino compound | antipyretic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
opioid analgesic;
peripheral nervous system drug |
| 3-hydroxyacetanilide | [no description available] | medium | 0 | 0 | acetamides;
phenols | non-narcotic analgesic |
| ibufenac | [no description available] | low | 0 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| mofebutazone | [no description available] | low | 0 | 0 | pyrazolidines | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| acetosyringone | [no description available] | medium | 0 | 0 | acetophenones;
dimethoxybenzene;
phenols | anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| clonixin | [no description available] | low | 0 | 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 |
| alclofenac | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| oxamethacin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flunixin | [no description available] | low | 0 | 0 | aminopyridine;
organofluorine compound;
pyridinemonocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| flunixin meglumine | [no description available] | low | 0 | 0 | organoammonium salt | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fendosal | [no description available] | low | 0 | 0 | benzoindole;
monohydroxybenzoic acid;
pyrroles | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tepoxalin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles | antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fenoprofen calcium | [no description available] | low | 0 | 0 | hydrate | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| droxicam | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
pyridines | cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug |
| ibuproxam | [no description available] | low | 0 | 0 | hydroxamic acid | iron chelator;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| miroprofen | [no description available] | low | 0 | 0 | imidazopyridine;
monocarboxylic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| dihydroergotamine mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | non-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent |
| aceclofenac | [no description available] | low | 0 | 0 | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tetrahydropalmatine | [no description available] | low | 0 | 0 | an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound | adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic |
| friedelin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
pentacyclic triterpenoid | anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite |
| difenpiramide | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid amide;
pyridines | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| valdecoxib | [no description available] | low | 0 | 0 | isoxazoles;
sulfonamide | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| parecoxib | [no description available] | low | 0 | 0 | isoxazoles;
N-sulfonylcarboxamide | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nepafenac | [no description available] | low | 0 | 0 | monocarboxylic acid amide | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| firocoxib | [no description available] | low | 0 | 0 | butenolide;
cyclopropanes;
enol ether;
sulfone | antineoplastic agent;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tolfenamic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
organochlorine compound;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| dexketoprofen | [no description available] | low | 0 | 0 | benzophenones;
monocarboxylic acid | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| naproxol | [no description available] | low | 0 | 0 | aromatic ether | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| lysine clonixinate | [no description available] | low | 0 | 0 | organoammonium salt | 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 |
| dexmedetomidine | [no description available] | low | 0 | 0 | medetomidine | alpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative |
| robenacoxib | [no description available] | low | 0 | 0 | aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| parthenolide | [no description available] | low | 0 | 0 | sesquiterpene lactone | drug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| 4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide | [no description available] | low | 0 | 0 | organofluorine compound;
pyrazoles;
sulfonamide | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| naproxen-n-butyl nitrate | [no description available] | low | 0 | 0 | carboxylic ester;
methoxynaphthalene;
nitrate ester | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| sodium bromfenac | [no description available] | low | 0 | 0 | hydrate | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tofisopam | [no description available] | low | 0 | 0 | organic sodium salt | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ulixacaltamide | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide | non-narcotic analgesic;
T-type calcium channel blocker |
| aminopropionitrile | [no description available] | low | 0 | 0 | aminopropionitrile | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| ampiroxicam | [no description available] | low | 0 | 0 | acetal;
aminopyridine;
benzothiazine;
etabonate ester;
monocarboxylic acid amide;
sulfonamide | analgesic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| hydroxychloroquine | [no description available] | low | 0 | 0 | aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug |
| flunoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound | antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| propionylcarnitine | [no description available] | low | 0 | 0 | O-acylcarnitine | analgesic;
antirheumatic drug;
cardiotonic drug;
human metabolite;
peripheral nervous system drug |
| as 605240 | [no description available] | low | 0 | 0 | quinoxaline derivative;
thiazolidinediones | anti-inflammatory agent;
antirheumatic drug;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| beta-aminopropionitrile fumarate (2:1) | [no description available] | low | 0 | 0 | fumarate salt | antineoplastic agent;
antirheumatic drug;
collagen cross-linking inhibitor;
plant metabolite |
| hmr 1275 | [no description available] | low | 0 | 0 | hydrochloride | antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| tofacitinib | [no description available] | low | 0 | 0 | N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound | antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| masitinib | [no description available] | low | 0 | 0 | 1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines | antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor |
| 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 |
| pamapimod | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound | antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| meclofenamate sodium anhydrous | [no description available] | low | 0 | 0 | hydrate | analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| madecassoside | [no description available] | low | 0 | 0 | carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin | anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary |
| baricitinib | [no description available] | low | 0 | 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 |
| isoxicam | [no description available] | low | 0 | 0 | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug |
| sultopride | [no description available] | low | 0 | 0 | salicylamides | |
| salicylanilide | [no description available] | low | 0 | 0 | benzanilide fungicide;
salicylamides;
salicylanilides | |
| salacetamide | [no description available] | low | 0 | 0 | salicylamides | |
| medroxalol | [no description available] | low | 0 | 0 | salicylamides | |
| eticlopride | [no description available] | low | 0 | 0 | salicylamides | |
| alibendol | [no description available] | low | 0 | 0 | salicylamides | |
| tizoxanide | [no description available] | low | 0 | 0 | salicylamides | |
| N'-[(4-chlorophenyl)-oxomethyl]-2-hydroxy-3-methylbenzohydrazide | [no description available] | low | 0 | 0 | salicylamides | |
| N-[(2-hydroxyphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-carboxamide | [no description available] | low | 0 | 0 | salicylamides | |
| raclopride | [no description available] | low | 0 | 0 | salicylamides | |
| N-[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide | [no description available] | low | 0 | 0 | salicylamides | |
| 3-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | hydroxybenzyl alcohol;
phenols | metabolite |
| 4-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols;
phenols | plant metabolite |
| 4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| 4-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid;
phenols | metabolite |
| 4-vinylguaiacol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
pheromone;
plant metabolite |
| 4-hydroxyphenylglyoxylic acid | [no description available] | low | 0 | 0 | phenols | |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| n-acetylserotonin | [no description available] | low | 0 | 0 | acetamides;
N-acylserotonin;
phenols | antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist |
| 4-hydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid;
phenols | human metabolite |
| 8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | low | 0 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
| vanilmandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite |
| 3-hydroxybenzylhydrazine | [no description available] | low | 0 | 0 | phenols | |
| 3-methoxytyramine | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound | biomarker;
human blood serum metabolite;
human urinary metabolite |
| 4-hydroxybenzoic acid hydrazide | [no description available] | low | 0 | 0 | carbohydrazide;
phenols | |
| 3-hydroxy-4-methoxyphenethylamine | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound | human metabolite;
rat metabolite |
| 4-nonylphenol | [no description available] | low | 0 | 0 | phenols | environmental contaminant |
| capsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| nonivamide | [no description available] | low | 0 | 0 | capsaicinoid;
phenols | lachrymator |
| dienestrol | [no description available] | low | 0 | 0 | olefinic compound;
phenols | xenoestrogen |
| edrophonium | [no description available] | low | 0 | 0 | phenols;
quaternary ammonium ion | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| etilefrine | [no description available] | low | 0 | 0 | phenols | |
| formoterol fumarate | [no description available] | low | 0 | 0 | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | |
| norfenefrine | [no description available] | low | 0 | 0 | phenols | |
| ns 1619 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
benzimidazoles;
phenols | potassium channel opener |
| oxymetazoline | [no description available] | low | 0 | 0 | carboxamidine;
imidazolines;
phenols | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| Phenyliodoundecynoate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| psilocin | [no description available] | low | 0 | 0 | hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid | drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist |
| raloxifene | [no description available] | low | 0 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| resorcinol monoacetate | [no description available] | low | 0 | 0 | phenols;
phenyl acetates | antibacterial agent;
dermatologic drug |
| salmeterol xinafoate | [no description available] | low | 0 | 0 | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | |
| sb 202190 | [no description available] | low | 0 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 17-desoxyestradiol | [no description available] | low | 0 | 0 | 3-hydroxy steroid;
phenolic steroid;
phenols | estrogen |
| n-methyl-4-aminophenol | [no description available] | low | 0 | 0 | phenols | allergen |
| isoamyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| glycol salicylate | [no description available] | low | 0 | 0 | phenols;
primary alcohol;
salicylates | |
| 2-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| 2-isopropylphenol | [no description available] | low | 0 | 0 | phenols | |
| 2-sec-butylphenol | [no description available] | low | 0 | 0 | phenols | |
| 2-ethylphenol | [no description available] | low | 0 | 0 | phenols | |
| pyrogallol 1,3-dimethyl ether | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols | plant metabolite |
| acetyleugenol | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| creosol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2,5-xylenol | [no description available] | low | 0 | 0 | phenols | animal metabolite;
volatile oil component |
| 2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
| sulfosalicylic acid | [no description available] | low | 0 | 0 | arenesulfonic acid;
benzoic acids;
phenols | metabolite |
| 2,4-dimethylphenol | [no description available] | low | 0 | 0 | aromatic fungicide;
phenols | disinfectant;
volatile oil component |
| 3,5-xylenol | [no description available] | low | 0 | 0 | phenols | xenobiotic metabolite |
| oxyphenisatin acetate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| bromphenol blue | [no description available] | low | 0 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone | acid-base indicator;
dye;
two-colour indicator |
| phenyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols;
salicylates | ultraviolet filter |
| homosalate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| benzyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-ethylhexyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2'-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone;
phenols | flavouring agent |
| ethyl vanillin | [no description available] | low | 0 | 0 | aromatic ether;
benzaldehydes;
phenols | antioxidant;
flavouring agent |
| p-cresyl acetate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3-hydroxyanisole | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols | |
| 4-hydroxyphenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid;
phenols | bacterial metabolite;
human metabolite |
| plumbagin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
| topanol 354 | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| phloroglucinol dimethyl ether | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent |
| syringic acid | [no description available] | low | 0 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| methoxyhydroxyphenylglycol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| paeonol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | metabolite |
| 2-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
phenols | human metabolite;
mouse metabolite |
| 3-ethylphenol | [no description available] | low | 0 | 0 | phenols | |
| 3-hydroxybenzeneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | human xenobiotic metabolite |
| isovanillin | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite |
| 4-Ethoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| bulbocapnine | [no description available] | low | 0 | 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 |
| 2-propylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
plant metabolite |
| 4-cyanophenol | [no description available] | low | 0 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
| ethyl n-alpha-acetyl-tyrosinate | [no description available] | low | 0 | 0 | acetamides;
ethyl ester;
L-tyrosine derivative;
phenols | |
| fenadiazole | [no description available] | low | 0 | 0 | 1,3,4-oxadiazoles;
biaryl;
phenols | sedative |
| amylmetacresol | [no description available] | low | 0 | 0 | phenols | antiseptic drug |
| 4-chloro-2-cresol | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenols | |
| antimycin a | [no description available] | low | 0 | 0 | benzamides;
formamides;
macrodiolide;
phenols | antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide |
| isobarbaloin | [no description available] | low | 0 | 0 | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite |
| dinoterb | [no description available] | low | 0 | 0 | C-nitro compound;
phenols | |
| bromoxynil | [no description available] | low | 0 | 0 | dibromobenzene;
hydroxynitrile;
phenols | environmental contaminant;
herbicide;
xenobiotic |
| 2-allylphenol | [no description available] | low | 0 | 0 | phenols | antifungal agrochemical |
| 4-octylphenol | [no description available] | low | 0 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
| 3-methoxy-4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| bis(4-oxyphenyl)sulfide | [no description available] | low | 0 | 0 | phenols | |
| cue-lure | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
| 2-isopropoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| raspberry ketone | [no description available] | low | 0 | 0 | methyl ketone;
phenols | androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite |
| laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
phenols | HIV-1 integrase inhibitor;
metabolite |
| zingerone | [no description available] | low | 0 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| 2,6-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant |
| dimethophrine | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-vinyl-2,6-dimethoxyphenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | low | 0 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
| closantel | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | |
| fomesafen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| naxagolide | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
phenols;
tertiary amino compound | anticonvulsant;
antiparkinson drug;
dopamine agonist |
| 4-vinylphenol | [no description available] | low | 0 | 0 | phenols | human urinary metabolite;
human xenobiotic metabolite |
| 4-ethylguaiacol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| guaethol | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
| cresatin | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-trifluoromethylphenol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
phenols | drug metabolite;
marine xenobiotic metabolite |
| 3-pentadecylphenol | [no description available] | low | 0 | 0 | phenols | |
| chavicol | [no description available] | low | 0 | 0 | phenols;
phenylpropanoid | |
| ibopamine | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols | estrogen;
human metabolite;
rat metabolite |
| 2-hydroxy-4-methoxybenzaldehyde | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| methyl syringate | [no description available] | low | 0 | 0 | benzoate ester;
dimethoxybenzene;
phenols | plant metabolite |
| vanitiolide | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| tubulosine | [no description available] | low | 0 | 0 | beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound | |
| rubrofusarin | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite |
| dauricine | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| 2,5-di-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| methyl gentisate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-hydroxyindole | [no description available] | low | 0 | 0 | hydroxyindoles;
phenols | |
| benzoyltyrosine ethyl ester | [no description available] | low | 0 | 0 | benzamides;
ethyl ester;
L-tyrosine derivative;
phenols | chromogenic compound |
| methyl 3-(4-hydroxyphenyl)propionate | [no description available] | low | 0 | 0 | methyl ester;
phenols | nitrification inhibitor;
plant growth regulator |
| 4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene | [no description available] | low | 0 | 0 | phenols | |
| acetaminophen mercapturate | [no description available] | low | 0 | 0 | acetamides;
organic sulfide;
phenols;
S-substituted N-acetyl-L-cysteine | drug metabolite;
human urinary metabolite;
rat metabolite |
| adriamycinol | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones | cardiotoxic agent;
drug metabolite |
| 3-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
phenols | human metabolite |
| n-acetyltyrosine, (dl)-isomer | [no description available] | low | 0 | 0 | N-acetyl-amino acid;
phenols;
tyrosine derivative | human urinary metabolite |
| 2-tyrosine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative | |
| 2-amino-5-chlorophenol | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenols;
primary amino compound | |
| beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
plant metabolite |
| alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
metabolite |
| laudanine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate | |
| tyrphostin 8 | [no description available] | low | 0 | 0 | phenols | |
| 4-hydroxymexiletine | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols | antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger |
| gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide | human metabolite |
| 6-paradol | [no description available] | low | 0 | 0 | ketone;
monomethoxybenzene;
phenols | |
| 2-hydroxy-5-methoxybenzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | |
| 4-(4-hydroxyphenyl)-2-butanol | [no description available] | low | 0 | 0 | phenols | |
| tetrangulol | [no description available] | low | 0 | 0 | p-quinones;
phenols;
tetraphenes | bacterial metabolite |
| terphenyllin | [no description available] | low | 0 | 0 | dimethoxybenzene;
para-terphenyl;
phenols | Aspergillus metabolite;
mycotoxin |
| 2,3-bis(4-hydroxyphenyl)-propionitrile | [no description available] | low | 0 | 0 | nitrile;
phenols | estrogen receptor agonist |
| 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
phenols | human urinary metabolite |
| sn 38 | [no description available] | low | 0 | 0 | delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol | antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| ly 117018 | [no description available] | low | 0 | 0 | 1-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols | bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator |
| 5-hydroxypropafenone | [no description available] | low | 0 | 0 | phenols | |
| 4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 3-chloro-4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols | mammalian metabolite |
| eseroline | [no description available] | low | 0 | 0 | phenols;
pyrroloindole | human xenobiotic metabolite;
opioid analgesic |
| hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins;
phenols | anti-allergic agent;
plant metabolite |
| maculosin | [no description available] | low | 0 | 0 | dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine | metabolite |
| 2-o-methylpyrogallol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| dopamine 3-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate;
phenols;
primary amino compound;
zwitterion | human blood serum metabolite;
human urinary metabolite |
| estriol-16 alpha-glucuronide | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
beta-D-glucosiduronic acid;
phenols;
steroid glucosiduronic acid | human urinary metabolite |
| emodin anthrone | [no description available] | low | 0 | 0 | anthracenone;
phenols | fungal metabolite |
| 4'-demethylpodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | metabolite |
| 4'-demethylepipodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent |
| dopamine 4-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate;
phenols;
primary amino compound;
zwitterion | human blood serum metabolite;
human urinary metabolite |
| rubimaillin | [no description available] | low | 0 | 0 | benzochromene;
methyl ester;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite |
| desvenlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
phenols;
tertiary amino compound | antidepressant;
drug metabolite;
marine xenobiotic metabolite |
| ay 25545 | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| tilivalline | [no description available] | low | 0 | 0 | indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine | bacterial metabolite;
microtubule-stabilising agent;
toxin |
| 4-acetamidophenyl-2-thiophenecarboxylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| yakuchinone-a | [no description available] | low | 0 | 0 | ketone;
monomethoxybenzene;
phenols | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
| cd 437 | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
| aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite |
| n-methylserotonin | [no description available] | low | 0 | 0 | phenols;
tryptamines | human metabolite;
plant metabolite |
| endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
trihydroxyanthraquinone | metabolite |
| actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor |
| sulochrin | [no description available] | low | 0 | 0 | benzophenones;
carboxylic ester;
phenols | metabolite |
| isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
phenylacetic acids | metabolite |
| 3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | |
| 4-hydroxybenzyl isothiocyanate | [no description available] | low | 0 | 0 | phenols | |
| 4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols | antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite |
| myricanone | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| pannarin | [no description available] | low | 0 | 0 | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite |
| gingerdione | [no description available] | low | 0 | 0 | beta-diketone;
monomethoxybenzene;
phenols | |
| etilefrine hydrochloride | [no description available] | low | 0 | 0 | phenols | |
| 8-gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monomethoxybenzene;
phenols | |
| 10-gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monomethoxybenzene;
phenols | |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| nordihydrocapsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| erysodine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols | antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide |
| isomhpg | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| rubrofusarin B | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite |
| top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol;
phenols | antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite |
| n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | [no description available] | low | 0 | 0 | anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols | antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor |
| succinobucol | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| fonsecin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite |
| 4-allyl-2,6-dimethoxyphenol | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols;
phenylpropanoid | |
| lariciresinol | [no description available] | low | 0 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| 4-(2-Amino-1,3-thiazol-4-yl)phenol | [no description available] | low | 0 | 0 | phenols | |
| 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| maackiain | [no description available] | low | 0 | 0 | phenols;
pterocarpans | |
| 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 |
| metoprolol tartrate | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent |
| abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone;
phenols | apoptosis inhibitor;
plant metabolite |
| abyssinone v | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
phenols;
trihydroxyflavanone | metabolite |
| oxyacanthine | [no description available] | low | 0 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound | |
| agnuside | [no description available] | low | 0 | 0 | benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside | anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent |
| cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol | anti-inflammatory agent;
metabolite |
| pyochelin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
thiazolidines | metabolite;
siderophore |
| yersiniabactin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore |
| sr 12813 | [no description available] | low | 0 | 0 | organic phosphonate;
phenols | pregnane X receptor agonist |
| stigmatellin | [no description available] | low | 0 | 0 | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor |
| 3-hydroxyhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine;
phenols | metabolite |
| aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| chavibetol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| 2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
| 2'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | anti-inflammatory agent |
| 6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile | [no description available] | low | 0 | 0 | phenols | |
| 5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| zucapsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| monastrol | [no description available] | low | 0 | 0 | enoate ester;
ethyl ester;
phenols;
racemate;
thioureas | antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor |
| dezocine | [no description available] | low | 0 | 0 | phenols;
primary amino compound | opioid analgesic |
| 3-methoxy-4-hydroxyphenylglycol sulfate | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| 5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 4-hydroxyphenethylene glycol | [no description available] | low | 0 | 0 | phenols | |
| 5-hydroxybenzimidazole | [no description available] | low | 0 | 0 | benzimidazoles;
phenols | bacterial metabolite;
human metabolite;
rat metabolite |
| 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| n,o-didesmethylvenlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
phenols;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite |
| 2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| sb 415286 | [no description available] | low | 0 | 0 | C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline | antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | low | 0 | 0 | phenols;
pyrazoles | estrogen receptor agonist |
| 6-iodonordihydrocapsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 3-(4-hydroxyphenyl)-1-propane | [no description available] | low | 0 | 0 | 4-hydroxycinnamyl alcohol;
phenols;
phenylpropanoid | monolignol |
| sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
| isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| euxanthone | [no description available] | low | 0 | 0 | phenols;
xanthones | metabolite;
plant metabolite |
| mangostin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| swerchirin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | hypoglycemic agent;
metabolite |
| shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| 4-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | antihypertensive agent;
plant metabolite |
| 4'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent |
| olvanil | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| n-cinnamoyltyramine | [no description available] | low | 0 | 0 | cinnamamides;
phenols;
secondary carboxamide | allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor |
| methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent |
| 3-deoxysappanchalcone | [no description available] | low | 0 | 0 | chalcones;
monomethoxybenzene;
phenols | metabolite |
| rhamnazin | [no description available] | low | 0 | 0 | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| alpha-cyano-4-hydroxycinnamic acid | [no description available] | low | 0 | 0 | monohydroxycinnamic acid;
nitrile;
phenols | MALDI matrix material |
| macluraxanthone b | [no description available] | low | 0 | 0 | phenols;
xanthones | anti-HIV agent;
antineoplastic agent;
metabolite |
| flavokawain b | [no description available] | low | 0 | 0 | chalcones;
dimethoxybenzene;
phenols | anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| lichexanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| alternariol | [no description available] | low | 0 | 0 | benzochromenone;
phenols | EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin |
| sorbicillin | [no description available] | low | 0 | 0 | phenols | |
| decussatin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| gamma-mangostin | [no description available] | low | 0 | 0 | phenols;
xanthones | antineoplastic agent;
plant metabolite;
protein kinase inhibitor |
| 1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite |
| resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone | analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist |
| flavasperone | [no description available] | low | 0 | 0 | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite |
| su 1498 | [no description available] | low | 0 | 0 | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist |
| n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite |
| tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist |
| eupomatenoid 6 | [no description available] | low | 0 | 0 | benzofurans;
phenols | anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | [no description available] | low | 0 | 0 | organoiodine compound;
phenols;
tertiary amino compound;
tetralins | dopamine agonist |
| monorden | [no description available] | low | 0 | 0 | cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols | antifungal agent;
metabolite;
tyrosine kinase inhibitor |
| cefatrizine | [no description available] | low | 0 | 0 | amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles | antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor |
| sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite |
| (8)-shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| (10)-shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| arvanil | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist |
| 3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols | plant metabolite |
| camostat | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
phenols | actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent |
| capsiate | [no description available] | low | 0 | 0 | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite |
| fr 148083 | [no description available] | low | 0 | 0 | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor |
| tmc-95a | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor |
| topopyrone c | [no description available] | low | 0 | 0 | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite |
| pi103 | [no description available] | low | 0 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| estin | [no description available] | low | 0 | 0 | 1-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols | Aspergillus metabolite;
Penicillium metabolite |
| mdl 105725 | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin |
| nidulalin a | [no description available] | low | 0 | 0 | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite |
| hypothemycin | [no description available] | low | 0 | 0 | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite |
| vernakalant | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| elloramycin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin | antimicrobial agent;
bacterial metabolite |
| arachidonoylserotonin | [no description available] | low | 0 | 0 | N-acylserotonin;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule |
| avenanthramide b | [no description available] | low | 0 | 0 | amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
phytoalexin |
| vilanterol | [no description available] | low | 0 | 0 | benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative | antibacterial agent;
antimicrobial agent;
metabolite |
| nigerloxin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes | antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger |
| 1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| tmc-95b | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor |
| 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| cardanol | [no description available] | low | 0 | 0 | phenols | |
| glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter |
| laurinterol | [no description available] | low | 0 | 0 | organobromine compound;
phenols;
sesquiterpenoid | antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite |
| 10-isobutyryloxy-8,9-epoxythymol isobutyrate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| olodaterol | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| diversonol | [no description available] | low | 0 | 0 | phenols;
tertiary alcohol | antibacterial agent;
metabolite |
| alloin | [no description available] | low | 0 | 0 | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite |
| sarpagine | [no description available] | low | 0 | 0 | indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound | |
| 1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite |
| ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite |
| shamixanthone | [no description available] | low | 0 | 0 | cyclic ketone;
phenols;
pyranoxanthene | metabolite |
| siphonazole | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| vx-770 | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug |
| 4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol | [no description available] | low | 0 | 0 | phenols | |
| 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| respirantin | [no description available] | low | 0 | 0 | benzamides;
cyclodepsipeptide;
formamides;
phenols | antimicrobial agent;
antineoplastic agent;
metabolite |
| 3,4-dihydroxyphenylethanol-elenolic acid dialdehyde | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| avilamycin a | [no description available] | low | 0 | 0 | benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone | antimicrobial agent;
bacterial metabolite |
| cathestatin b | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound | antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite |
| bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol | anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite |
| diorcinol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
| n-trans-feruloyloctopamine | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite |
| chondramide c | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| debromoaplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| (E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde | [no description available] | low | 0 | 0 | 1-benzofurans;
aldehyde;
phenols | Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger |
| 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
ketone;
phenols | plant metabolite |
| hordatine a | [no description available] | low | 0 | 0 | aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols | adrenergic antagonist;
metabolite |
| chondramide a | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| quinolobactin | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore |
| ilicicolin h | [no description available] | low | 0 | 0 | aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone | antimicrobial agent;
mitochondrial respiratory-chain inhibitor |
| naloxegol | [no description available] | low | 0 | 0 | aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol | cathartic;
mu-opioid receptor antagonist |
| fertaric acid | [no description available] | low | 0 | 0 | aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative | |
| callipeltin a | [no description available] | low | 0 | 0 | cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols | anti-HIV-1 agent;
antifungal agent;
metabolite |
| opt 80 | [no description available] | low | 0 | 0 | carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols | antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor |
| brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent |
| ML355 | [no description available] | low | 0 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
| acarbose | [no description available] | low | 0 | 0 | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite |
| pf-06687252 | [no description available] | low | 0 | 0 | azabicycloalkane;
enone;
phenols;
pyridines | |
| chondramide d | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| biliatresone | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin |
| can 508 | [no description available] | low | 0 | 0 | aromatic amine;
monoazo compound;
phenols;
pyrazoles | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| nu 1025 | [no description available] | low | 0 | 0 | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| quininib | [no description available] | low | 0 | 0 | phenols;
styrylquinoline | angiogenesis inhibitor |
| pp242 | [no description available] | low | 0 | 0 | aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine | antineoplastic agent;
mTOR inhibitor |
| dehydroluciferin | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols | animal metabolite;
luciferin |
| sotorasib | [no description available] | low | 0 | 0 | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent |
| tilimycin | [no description available] | low | 0 | 0 | phenols;
pyrrolobenzodiazepine | alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin |