| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| 2-aminofluorene | [no description available] | medium | 13 | 0 | | |
| amitrole | [no description available] | medium | 1 | 0 | aromatic amine;
triazoles | carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide |
| azathioprine | [no description available] | medium | 1 | 0 | aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine | antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug |
| 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 |
| n-hydroxy-2-aminofluorene | [no description available] | medium | 1 | 0 | | |
| hydroxyacetylaminofluorene | [no description available] | medium | 2 | 0 | 2-acetamidofluorenes | |
| 2-acetylaminofluorene | [no description available] | medium | 8 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
| p-aminoazobenzene | [no description available] | medium | 3 | 0 | | |
| 1-phenylazo-2-naphthylamine | [no description available] | medium | 1 | 0 | | |
| 2-naphthylamine | [no description available] | medium | 44 | 0 | naphthylamine | carcinogenic agent |
| 3,3'-dichlorobenzidine | [no description available] | medium | 14 | 0 | biphenyls;
monochlorobenzenes;
organochlorine compound | |
| 4-biphenylamine | [no description available] | medium | 26 | 0 | aminobiphenyl | carcinogenic agent |
| o-aminoazotoluene | [no description available] | medium | 2 | 0 | | |
| methylenebis(chloroaniline) | [no description available] | medium | 3 | 0 | chloroaniline | metabolite |
| 4,4'-diaminodiphenylmethane | [no description available] | medium | 1 | 0 | aromatic amine | allergen;
carcinogenic agent |
| 2-tolidine | [no description available] | medium | 10 | 0 | biphenyls | |
| yellow ob | [no description available] | medium | 1 | 0 | | |
| 2,7-diacetylaminofluorene | [no description available] | medium | 1 | 0 | | |
| 2,7-fluorenediamine | [no description available] | medium | 3 | 0 | | |
| n-hydroxy-1-naphthylamine | [no description available] | medium | 1 | 0 | N-substituted amine | |
| 1-aminoanthracene | [no description available] | medium | 1 | 0 | anthracenamine | |
| 2-anthramine | [no description available] | medium | 2 | 0 | anthracenamine | |
| 4,4'-methylene bis(2-methylaniline) | [no description available] | medium | 1 | 0 | diarylmethane | |
| 9-aminophenanthrene | [no description available] | medium | 1 | 0 | phenanthrenamine | |
| 3-methoxy-4-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
| n-hydroxy-n-(2-fluorenyl)benzamide | [no description available] | medium | 1 | 0 | | |
| 4-acetylaminobiphenyl | [no description available] | medium | 2 | 0 | biphenyls | |
| 2-acetamidophenanthrene | [no description available] | medium | 2 | 0 | | |
| n-hydroxy-4-acetylaminobiphenyl | [no description available] | medium | 1 | 0 | hydroxamic acid | |
| acetoxyacetylaminofluorene | [no description available] | medium | 1 | 0 | 2-acetamidofluorenes | carcinogenic agent;
mutagen |
| 3-acetylaminofluorene | [no description available] | medium | 1 | 0 | | |
| 2',3-dimethyl-4-aminobiphenyl | [no description available] | medium | 2 | 0 | | |
| fanft | [no description available] | medium | 5 | 0 | | |
| N-fluorenylacetamide | [no description available] | medium | 1 | 0 | fluorenes | |
| acridine orange | [no description available] | medium | 1 | 0 | aminoacridines;
aromatic amine;
tertiary amino compound | fluorochrome;
histological dye |
| n-hydroxy-2-naphthylamine | [no description available] | medium | 1 | 0 | | |
| n-acetoxy-4-acetylaminobiphenyl | [no description available] | medium | 1 | 0 | | |
| 7-iodo-n-2-acetylaminofluorene | [no description available] | medium | 1 | 0 | | |
| n-hydroxy-4-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
| 4-dimethylaminostilbene | [no description available] | medium | 1 | 0 | | |
| 4-acetylaminostilbene | [no description available] | medium | 1 | 0 | | |
| 4-aminostilbene | [no description available] | medium | 2 | 0 | | |
| nefurthiazole | [no description available] | medium | 1 | 0 | C-nitro compound;
furans | |
| 4,4'-diaminostilbene | [no description available] | medium | 1 | 0 | | |
| 4-hydroxybenzoic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite;
plant metabolite |
| benzoic acid | [no description available] | medium | 4 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
| benzyl alcohol | [no description available] | medium | 2 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
| butyric acid | [no description available] | medium | 3 | 0 | fatty acid 4:0;
straight-chain saturated fatty acid | human urinary metabolite;
Mycoplasma genitalium metabolite |
| salicylic acid | [no description available] | medium | 2 | 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 | 3 | 0 | trihydroxybenzoic acid | antineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite |
| octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | antibacterial agent;
Escherichia coli metabolite;
human metabolite |
| 4-aminophenol | [no description available] | medium | 1 | 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 | 5 | 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 | 2 | 0 | dimethylaniline;
tertiary amine | |
| 4-nitrophenol | [no description available] | medium | 4 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
| phenol | [no description available] | medium | 5 | 0 | phenols | antiseptic drug;
disinfectant;
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 | 1 | 0 | hydroxyflavan | |
| menthol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| 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 | 1 | 0 | monohydroxyquinoline | antibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator |
| acetaminophen | [no description available] | medium | 3 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| amitriptyline | [no description available] | medium | 2 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| aspirin | [no description available] | medium | 4 | 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 | 4 | 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 | 2 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| bumetanide | [no description available] | medium | 1 | 0 | amino acid;
benzoic acids;
sulfonamide | diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
| carbamazepine | [no description available] | medium | 1 | 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 | 1 | 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 | 6 | 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 | 1 | 0 | sulfonamide | |
| 4-cresol | [no description available] | medium | 3 | 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 | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| dapsone | [no description available] | medium | 3 | 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 | 3 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | dibenzooxepine;
tertiary amino compound | antidepressant |
| doxylamine | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
| fluphenazine | [no description available] | medium | 1 | 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 | 2 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
| ibuprofen | [no description available] | medium | 2 | 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 | 5 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| indomethacin | [no description available] | medium | 7 | 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 | 4 | 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 | 1 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines;
dichlorobenzene;
primary arylamine | anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic |
| 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 | 2 | 0 | benzodiazepine | |
| losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| loxapine | [no description available] | medium | 2 | 0 | dibenzooxazepine | antipsychotic agent;
dopaminergic antagonist |
| meperidine | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| nortriptyline | [no description available] | medium | 1 | 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] | medium | 1 | 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 | 1 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| pheniramine | [no description available] | medium | 1 | 0 | pyridines;
tertiary amino compound | |
| phenobarbital | [no description available] | medium | 9 | 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 | 2 | 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 | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| promethazine | [no description available] | medium | 2 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propofol | [no description available] | medium | 1 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| propranolol | [no description available] | medium | 2 | 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 | 1 | 0 | trihydroxybenzoic acid | |
| pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| 1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| salicylamide | [no description available] | medium | 1 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| sulfadimethoxine | [no description available] | medium | 3 | 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 | 1 | 0 | pyrazolidines;
sulfoxide | uricosuric drug |
| suprofen | [no description available] | medium | 1 | 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 | 1 | 0 | benzodiazepine | |
| terfenadine | [no description available] | medium | 1 | 0 | diarylmethane | |
| thonzylamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| tiaprofenic acid | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | drug allergen;
non-steroidal anti-inflammatory drug |
| trifluoperazine | [no description available] | medium | 3 | 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 | 2 | 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 | 4 | 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 | 2 | 0 | 16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid | estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite |
| 2-aminophenol | [no description available] | medium | 1 | 0 | aminophenol | bacterial metabolite |
| thyroxine | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid | androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone |
| etiocholanolone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid | human metabolite;
mouse metabolite |
| dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid | androgen;
human metabolite;
mouse metabolite |
| triiodothyronine | [no description available] | medium | 1 | 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 | 2 | 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 | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| aniline | [no description available] | medium | 13 | 0 | anilines;
primary arylamine | |
| desoxycorticosterone | [no description available] | medium | 1 | 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 | 1 | 0 | 17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol | progestin;
synthetic oral contraceptive |
| norethynodrel | [no description available] | medium | 1 | 0 | oxo steroid | |
| 17-alpha-hydroxyprogesterone | [no description available] | medium | 1 | 0 | 17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone | human metabolite;
metabolite;
mouse metabolite;
progestin |
| ampicillin | [no description available] | medium | 1 | 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 | 1 | 0 | monoterpenoid;
tertiary alcohol | antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component |
| 1,4-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | dye |
| cyclizine | [no description available] | medium | 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 | 2 | 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 | 2 | 0 | | |
| 2-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | antifungal agrochemical;
environmental food contaminant |
| quinoline | [no description available] | medium | 3 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
| 4-phenylphenol | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
| 4,4'-dihydroxybiphenyl | [no description available] | medium | 1 | 0 | hydroxybiphenyls | |
| propylparaben | [no description available] | medium | 1 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| butylphen | [no description available] | medium | 3 | 0 | phenols | allergen |
| methylparaben | [no description available] | medium | 1 | 0 | paraben | antifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite |
| 4-isopropylphenol | [no description available] | medium | 2 | 0 | phenols | flavouring agent |
| 4-hydroxyacetophenone | [no description available] | medium | 2 | 0 | monohydroxyacetophenone | fungal metabolite;
mouse metabolite;
plant metabolite |
| 4-benzylphenol | [no description available] | medium | 1 | 0 | | |
| 2-ethylhexanol | [no description available] | medium | 1 | 0 | primary alcohol | plant metabolite;
volatile oil component |
| 2,2,2-trichloroethanol | [no description available] | medium | 1 | 0 | chloroethanol | mouse metabolite |
| anthrarufin | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | |
| 2-toluic acid | [no description available] | medium | 1 | 0 | methylbenzoic acid | xenobiotic metabolite |
| ethyl-p-hydroxybenzoate | [no description available] | medium | 3 | 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 | 8 | 0 | naphthylamine | human xenobiotic metabolite |
| 2-naphthol | [no description available] | medium | 7 | 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 | 1 | 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 | 3 | 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 | 2 | 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 | 2 | 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 | 1 | 0 | terpineol;
tertiary alcohol | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component |
| 3-hydroxyflavone | [no description available] | medium | 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 | 2 | 0 | aromatic amine;
bridged diphenyl fungicide;
secondary amino compound | antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger |
| alpha-naphthoflavone | [no description available] | medium | 1 | 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 | 2 | 0 | alkylbenzene | |
| hexafluoroisopropanol | [no description available] | medium | 1 | 0 | organofluorine compound;
secondary alcohol | drug metabolite |
| d-alpha tocopherol | [no description available] | medium | 1 | 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 | 2 | 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 | 1 | 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 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| 4-n-Pentylphenol | [no description available] | medium | 2 | 0 | phenols | |
| 9-hydroxybenzo(a)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| daunorubicin | [no description available] | medium | 1 | 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 | 3 | 0 | phenols | fungal xenobiotic metabolite |
| ursodeoxycholic acid | [no description available] | medium | 2 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 2 | 0 | 3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal | antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite |
| sarsasapogenin, (3beta,5alpha,25r)-isomer | [no description available] | medium | 2 | 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 | 3 | 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 | 2 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| ferulic acid | [no description available] | medium | 3 | 0 | ferulic acids | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite |
| mycophenolic acid | [no description available] | medium | 1 | 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 | 1 | 0 | 3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol | allergen;
fragrance;
plant metabolite;
volatile oil component |
| dienestrol | [no description available] | medium | 2 | 0 | | |
| captax | [no description available] | medium | 1 | 0 | aryl thiol;
benzothiazoles | carcinogenic agent;
metabolite |
| thiothixene | [no description available] | medium | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 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 | 1 | 0 | 4-hydroxy steroid | metabolite |
| isotretinoin | [no description available] | medium | 1 | 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 | 2 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic |
| hydromorphone | [no description available] | medium | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound | mu-opioid receptor agonist;
opioid analgesic |
| nalmefene | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| nalorphine | [no description available] | medium | 1 | 0 | morphinane alkaloid | |
| naloxone | [no description available] | medium | 1 | 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 | 1 | 0 | morphinane alkaloid | |
| 6alpha-hydroxy-17beta-estradiol | [no description available] | medium | 1 | 0 | 6alpha-hydroxy steroid | |
| morphine | [no description available] | medium | 2 | 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 | 1 | 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 | 1 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| tetracycline | [no description available] | medium | 1 | 0 | | |
| 4-hydroxycoumarin | [no description available] | medium | 1 | 0 | hydroxycoumarin | |
| rifampin | [no description available] | medium | 1 | 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 | 2 | 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 | 2 | 0 | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist |
| ethylene dichloride | [no description available] | medium | 1 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
| acetamide | [no description available] | medium | 1 | 0 | acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia | |
| adenine | [no description available] | medium | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| benzaldehyde | [no description available] | medium | 2 | 0 | benzaldehydes | EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite |
| benzene | [no description available] | medium | 9 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| propionaldehyde | [no description available] | medium | 2 | 0 | alpha-CH2-containing aldehyde;
propanals | Escherichia coli metabolite |
| dibenzofuran | [no description available] | medium | 2 | 0 | dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene | xenobiotic |
| cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine;
pyrimidine nucleobase;
pyrimidone | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| alanine | [no description available] | medium | 1 | 0 | alpha-amino acid;
amino acid zwitterion | fundamental metabolite |
| hexachlorocyclohexane | [no description available] | medium | 1 | 0 | chlorocyclohexane | |
| indole | [no description available] | medium | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
| acetanilide | [no description available] | medium | 2 | 0 | acetamides;
anilide | analgesic |
| naphthalene | [no description available] | medium | 5 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
| 1-propanol | [no description available] | medium | 3 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
| pyridine | [no description available] | medium | 3 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
| dimethyl sulfide | [no description available] | medium | 1 | 0 | aliphatic sulfide | algal metabolite;
bacterial xenobiotic metabolite;
EC 3.5.1.4 (amidase) inhibitor;
Escherichia coli metabolite;
marine metabolite |
| succinic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid | anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent |
| toluene | [no description available] | medium | 2 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| trimethylamine | [no description available] | medium | 1 | 0 | methylamines;
tertiary amine | Escherichia coli metabolite;
human xenobiotic 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 | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| theophylline | [no description available] | medium | 1 | 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 |
| atrazine | [no description available] | medium | 2 | 0 | chloro-1,3,5-triazine;
diamino-1,3,5-triazine | environmental contaminant;
herbicide;
xenobiotic |
| barbital | [no description available] | medium | 2 | 0 | barbiturates | drug allergen |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| benzocaine | [no description available] | medium | 2 | 0 | benzoate ester;
substituted aniline | allergen;
antipruritic drug;
sensitiser;
topical anaesthetic |
| bay h 4502 | [no description available] | medium | 1 | 0 | biphenyls;
imidazoles | |
| bromazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| caffeine | [no description available] | medium | 3 | 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 |
| diazepam | [no description available] | medium | 3 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| ddt | [no description available] | medium | 2 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
| diuron | [no description available] | medium | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea;
dichlorobenzene | environmental contaminant;
mitochondrial respiratory-chain inhibitor;
photosystem-II inhibitor;
urea herbicide;
xenobiotic |
| ether | [no description available] | medium | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
| fenbufen | [no description available] | medium | 2 | 0 | 4-oxo monocarboxylic acid;
biphenyls | non-steroidal anti-inflammatory drug |
| fluconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug | environmental contaminant;
P450 inhibitor;
xenobiotic |
| flurbiprofen | [no description available] | medium | 3 | 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 | 2 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| 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 |
| 2-propanol | [no description available] | medium | 2 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| perphenazine | [no description available] | medium | 2 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| phenacetin | [no description available] | medium | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| 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 |
| promazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| thioridazine | [no description available] | medium | 1 | 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 |
| mannitol | [no description available] | medium | 1 | 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 |
| 4-toluenesulfonamide | [no description available] | medium | 1 | 0 | sulfonamide | |
| 1,1,1-trichloroethane | [no description available] | medium | 1 | 0 | chloroethanes | polar solvent |
| ethylamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | human metabolite |
| nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane;
volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent |
| tert-butyl alcohol | [no description available] | medium | 2 | 0 | tertiary alcohol | human xenobiotic metabolite |
| methylethyl ketone | [no description available] | medium | 1 | 0 | butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound | bacterial metabolite;
polar aprotic solvent |
| trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
| methyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
methyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent |
| nitroethane | [no description available] | medium | 1 | 0 | primary nitroalkane | |
| fluorene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon | |
| hexamethylbenzene | [no description available] | medium | 1 | 0 | methylbenzene | |
| diphenyl | [no description available] | medium | 4 | 0 | aromatic fungicide;
benzenes;
biphenyls | antifungal agrochemical;
antimicrobial food preservative |
| methyl benzoate | [no description available] | medium | 2 | 0 | benzoate ester;
methyl ester | insect attractant;
metabolite |
| benzotrifluoride | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
fluorohydrocarbon | environmental contaminant;
NMR chemical shift reference compound;
solvent |
| acetophenone | [no description available] | medium | 2 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
| nitrobenzene | [no description available] | medium | 2 | 0 | nitroarene;
nitrobenzenes | |
| carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
carvones | allergen |
| benzonitrile | [no description available] | medium | 2 | 0 | benzenes;
nitrile | |
| anisole | [no description available] | medium | 2 | 0 | monomethoxybenzene | plant metabolite |
| 4-chloroaniline | [no description available] | medium | 1 | 0 | chloroaniline;
monochlorobenzenes | |
| propionitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | polar aprotic solvent |
| bromobenzene | [no description available] | medium | 2 | 0 | bromoarene;
bromobenzenes;
volatile organic compound | hepatotoxic agent;
mouse metabolite;
non-polar solvent |
| chlorobenzene | [no description available] | medium | 1 | 0 | monochlorobenzenes | solvent |
| pentane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
| dimethoxymethane | [no description available] | medium | 1 | 0 | acetal;
diether | |
| tetrahydrofuran | [no description available] | medium | 2 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
| furan | [no description available] | medium | 1 | 0 | furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | carcinogenic agent;
hepatotoxic agent;
Maillard reaction product |
| thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
| n-hexane | [no description available] | medium | 1 | 0 | alkane;
volatile organic compound | neurotoxin;
non-polar solvent |
| cyclohexane | [no description available] | medium | 2 | 0 | cycloalkane;
volatile organic compound | non-polar solvent |
| cyclohexene | [no description available] | medium | 1 | 0 | cycloalkene | |
| morpholine | [no description available] | medium | 1 | 0 | morpholines;
saturated organic heteromonocyclic parent | NMR chemical shift reference compound |
| 3-nitrobenzoic acid | [no description available] | medium | 1 | 0 | | |
| ethyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
| ephedrine | [no description available] | medium | 2 | 0 | phenethylamine alkaloid;
phenylethanolamines | bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| fluorobenzenes | [no description available] | medium | 2 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| 4-chloroacetanilide | [no description available] | medium | 1 | 0 | acetamides;
monochlorobenzenes | |
| 1-chloropropane | [no description available] | medium | 1 | 0 | | |
| 2,3-dichlorophenol | [no description available] | medium | 1 | 0 | | |
| methyl butyrate | [no description available] | medium | 1 | 0 | fatty acid ester | |
| decachlorobiphenyl | [no description available] | medium | 1 | 0 | pentachlorobenzenes;
polychlorobiphenyl | |
| desmedipham | [no description available] | medium | 1 | 0 | carbamate ester | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| menthone | [no description available] | medium | 1 | 0 | menthone | |
| dimethylacetamide | [no description available] | medium | 1 | 0 | acetamides;
monocarboxylic acid amide | human metabolite |
| pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe;
persistent organic pollutant |
| fenoxycarb | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic |
| fenclofenac | [no description available] | medium | 1 | 0 | aromatic ether | |
| camphora | [no description available] | medium | 1 | 0 | camphor | |
| atropine | [no description available] | medium | 1 | 0 | | |
| (+)-limonene | [no description available] | medium | 1 | 0 | limonene | plant metabolite |
| griseofulvin | [no description available] | medium | 2 | 0 | 1-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound | antibacterial agent;
Penicillium metabolite |
| 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 |
| sulindac | [no description available] | medium | 1 | 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 |
| dinoprostone | [no description available] | medium | 3 | 0 | prostaglandins E | human metabolite;
mouse metabolite;
oxytocic |
| nifuroxime | [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 |
| warfarin | [no description available] | medium | 2 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| guanine | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
purine nucleobase | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| allopurinol | [no description available] | medium | 1 | 0 | nucleobase analogue;
organic heterobicyclic compound | antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger |
| ezogabine | [no description available] | medium | 1 | 0 | carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline | anticonvulsant;
potassium channel modulator |
| 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 |
| melarsoprol | [no description available] | medium | 1 | 0 | triazines | |
| octylguanidine | [no description available] | medium | 1 | 0 | | |
| diminazene aceturate | [no description available] | medium | 1 | 0 | N-acetylglycinate salt | antiparasitic agent;
trypanocidal drug |
| 2-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
| phenylacetic acid | [no description available] | medium | 2 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| atenolol | [no description available] | medium | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| dibucaine | [no description available] | medium | 1 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| diclofenac | [no description available] | medium | 1 | 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 |
| 4-chlorophenol | [no description available] | medium | 2 | 0 | monochlorophenol | |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| resorcinol | [no description available] | medium | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
| 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 |
| sulfabenzamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfacetamide | [no description available] | medium | 1 | 0 | N-sulfonylcarboxamide;
substituted aniline | antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| sulfanilamide | [no description available] | medium | 2 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| 2,4,6-trichlorophenol | [no description available] | medium | 1 | 0 | trichlorophenol | carcinogenic agent |
| 1-chloro-2-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound;
monochlorobenzenes | |
| n,n-diethylaniline | [no description available] | medium | 1 | 0 | | |
| methyl nicotinate | [no description available] | medium | 1 | 0 | aromatic carboxylic acid;
pyridines | |
| nicotinic acid benzyl ester | [no description available] | medium | 1 | 0 | benzyl ester | vasodilator agent |
| 3,4-dimethylphenol | [no description available] | medium | 1 | 0 | phenols | |
| 4-bromophenol | [no description available] | medium | 2 | 0 | bromophenol | human urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite |
| isoquinoline | [no description available] | medium | 1 | 0 | azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene | |
| acridines | [no description available] | medium | 2 | 0 | acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene | genotoxin |
| 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 |
| sulfanilylurea | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| 5-phenylvaleric acid | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid | |
| 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 |
| nicotine | [no description available] | medium | 1 | 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 |
| 4-n-butylaminobenzoic acid | [no description available] | medium | 1 | 0 | aromatic amino acid | |
| 2-amino-4-nitrophenol | [no description available] | medium | 1 | 0 | 4-nitrophenols | |
| 2-nitro-4-phenylenediamine | [no description available] | medium | 1 | 0 | C-nitro compound;
primary amino compound | |
| piroxicam | [no description available] | medium | 1 | 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 |
| 4-hydroxybenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols;
phenols | plant metabolite |
| 4-hydroxybenzaldehyde | [no description available] | medium | 1 | 0 | hydroxybenzaldehyde | EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite |
| ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
| acetaldehyde | [no description available] | medium | 1 | 0 | aldehyde | carcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent |
| acetone | [no description available] | medium | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
| 1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
| 3-cresol | [no description available] | medium | 1 | 0 | cresol | human xenobiotic metabolite |
| 1-octanol | [no description available] | medium | 1 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
| acetohexamide | [no description available] | medium | 1 | 0 | acetophenones;
N-sulfonylurea | hypoglycemic agent;
insulin secretagogue |
| amobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| bendroflumethiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
sulfonamide | antihypertensive agent;
diuretic |
| butamben | [no description available] | medium | 1 | 0 | amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline | local anaesthetic |
| dibenzothiophene | [no description available] | medium | 1 | 0 | dibenzothiophenes;
mancude organic heterotricyclic parent | keratolytic drug |
| fludiazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound;
organofluorine compound | anxiolytic drug |
| flufenamic acid | [no description available] | medium | 1 | 0 | aromatic amino acid;
organofluorine compound | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| 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 |
| medazepam | [no description available] | medium | 1 | 0 | organic molecular entity | |
| mefenamic acid | [no description available] | medium | 1 | 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 | 1 | 0 | 1,4-naphthoquinones;
vitamin K | angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical |
| fenamic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
secondary amino compound | membrane transport modulator |
| nimetazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative |
| nitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound | anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative |
| pentobarbital | [no description available] | medium | 1 | 0 | barbiturates | GABAA receptor agonist |
| phenazine | [no description available] | medium | 1 | 0 | azaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene | |
| sulfamerazine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
drug allergen |
| sulfamonomethoxine | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| 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 |
| sulfisomidine | [no description available] | medium | 1 | 0 | pyrimidines;
sulfonamide antibiotic;
sulfonamide | antiinfective agent |
| sulfisoxazole | [no description available] | medium | 1 | 0 | isoxazoles;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
drug allergen |
| tolnaftate | [no description available] | medium | 1 | 0 | monothiocarbamic ester | antifungal drug |
| hydrocortisone acetate | [no description available] | medium | 1 | 0 | cortisol ester;
tertiary alpha-hydroxy ketone | |
| cortisone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| spironolactone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| prednisolone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
| cyclobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| allobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| paramethasone | [no description available] | medium | 1 | 0 | fluorinated steroid | |
| carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 4-nitrobenzoic acid | [no description available] | medium | 1 | 0 | nitrobenzoic acid | |
| chloroform | [no description available] | medium | 2 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| 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 |
| 4-hydroxypropiophenone | [no description available] | medium | 1 | 0 | acetophenones | |
| n-pentanol | [no description available] | medium | 1 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
| acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
| tert-amyl alcohol | [no description available] | medium | 1 | 0 | aliphatic alcohol;
tertiary alcohol | protic solvent |
| triamcinolone acetonide | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| isobutyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol | Saccharomyces cerevisiae metabolite |
| 2-butanol | [no description available] | medium | 1 | 0 | secondary alcohol | |
| p-tert-amylphenol | [no description available] | medium | 1 | 0 | alkylbenzene | |
| dehydrocholic acid | [no description available] | medium | 1 | 0 | 12-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid | gastrointestinal drug |
| carbazole | [no description available] | medium | 1 | 0 | carbazole | |
| xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
| phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor;
plant metabolite;
radical scavenger |
| thianthrene | [no description available] | medium | 1 | 0 | mancude organic heterotricyclic parent;
organosulfur heterocyclic compound;
thianthrenes | |
| ethyl benzoate | [no description available] | medium | 1 | 0 | benzoate ester;
ethyl ester | flavouring agent;
fragrance;
volatile oil component |
| butylparaben | [no description available] | medium | 1 | 0 | organic molecular entity | |
| benzothiophene | [no description available] | medium | 1 | 0 | 1-benzothiophenes;
benzothiophene | |
| benzothiazole | [no description available] | medium | 1 | 0 | benzothiazoles | environmental contaminant;
plant metabolite;
xenobiotic |
| cyclopentanol | [no description available] | medium | 1 | 0 | cyclopentanols | |
| 4-chloronitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound | |
| 4-nitroaniline | [no description available] | medium | 1 | 0 | nitroaniline | bacterial xenobiotic metabolite |
| ethylbenzene | [no description available] | medium | 1 | 0 | alkylbenzene | |
| benzyl chloride | [no description available] | medium | 1 | 0 | benzyl chlorides | |
| methylaniline | [no description available] | medium | 1 | 0 | methylaniline;
phenylalkylamine;
secondary amine | |
| phenetole | [no description available] | medium | 1 | 0 | aromatic ether | |
| 1,4-dibromobenzene | [no description available] | medium | 1 | 0 | dibromobenzene | |
| 4-xylene | [no description available] | medium | 1 | 0 | xylene | |
| isobutylmethylcarbinol | [no description available] | medium | 1 | 0 | | |
| 3-chlorophenol | [no description available] | medium | 1 | 0 | monochlorophenol | |
| cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
| methyl cellosolve | [no description available] | medium | 1 | 0 | glycol ether | protic solvent;
solvent |
| diethylamine | [no description available] | medium | 1 | 0 | secondary aliphatic amine | |
| 1,4-butanediol | [no description available] | medium | 1 | 0 | butanediol;
glycol | neurotoxin;
prodrug;
protic solvent |
| 1-hexanol | [no description available] | medium | 1 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
| 1,5-pentanediol | [no description available] | medium | 1 | 0 | primary alcohol | |
| heptanol | [no description available] | medium | 1 | 0 | heptanol;
primary alcohol | flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite |
| mephobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant |
| 2-methylbutanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol | Saccharomyces cerevisiae metabolite |
| p-cresyl acetate | [no description available] | medium | 1 | 0 | benzoate ester;
phenols | |
| 3-hydroxyanisole | [no description available] | medium | 1 | 0 | monomethoxybenzene;
phenols | |
| phenanthridine | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterotricyclic parent;
phenanthridines;
polycyclic heteroarene | |
| carbutamide | [no description available] | medium | 1 | 0 | benzenes;
sulfonamide | |
| 4-fluorophenol | [no description available] | medium | 1 | 0 | fluorophenol;
monofluorobenzenes | |
| 3-fluorophenol | [no description available] | medium | 1 | 0 | | |
| 3,3-dimethyl-2-butanol | [no description available] | medium | 1 | 0 | | |
| phloroglucinol dimethyl ether | [no description available] | medium | 1 | 0 | methoxybenzenes;
phenols | |
| 1,3-propanediol | [no description available] | medium | 1 | 0 | propane-1,3-diols | metabolite;
protic solvent |
| phenylacetylene | [no description available] | medium | 1 | 0 | benzenes | |
| 3-bromophenol | [no description available] | medium | 1 | 0 | | |
| 3,5-dichlorophenol | [no description available] | medium | 1 | 0 | dichlorophenol | |
| iodobenzene | [no description available] | medium | 1 | 0 | | |
| 3-isopropylphenol | [no description available] | medium | 1 | 0 | | |
| 3-ethylphenol | [no description available] | medium | 1 | 0 | phenols | |
| 4-Ethoxyphenol | [no description available] | medium | 1 | 0 | aromatic ether;
phenols | |
| 2-hexanol | [no description available] | medium | 1 | 0 | hexanol;
secondary alcohol | human metabolite;
plant metabolite;
semiochemical |
| hexamethylene glycol | [no description available] | medium | 1 | 0 | diol;
primary alcohol | |
| 4-nitrophenyl acetate | [no description available] | medium | 1 | 0 | C-nitro compound;
phenyl acetates | |
| sulfamethomidine | [no description available] | medium | 1 | 0 | organic molecular entity | |
| 2-octanol | [no description available] | medium | 1 | 0 | octanol;
secondary alcohol | plant metabolite;
volatile oil component |
| hydrocortisone-17-butyrate | [no description available] | medium | 1 | 0 | butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone | dermatologic drug;
drug allergen |
| isopentyl alcohol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol;
volatile organic compound | antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite |
| progabide | [no description available] | medium | 1 | 0 | diarylmethane | |
| 1-n-butylimidazole | [no description available] | medium | 1 | 0 | | |
| phenoxazine | [no description available] | medium | 1 | 0 | phenoxazine | ferroptosis inhibitor;
radical scavenger |
| cresatin | [no description available] | medium | 1 | 0 | benzoate ester;
phenols | |
| 3-propylphenol | [no description available] | medium | 1 | 0 | | |
| cyclobutanol | [no description available] | medium | 1 | 0 | | |
| 1-benzylimidazole | [no description available] | medium | 1 | 0 | | |
| triflumizol | [no description available] | medium | 1 | 0 | | |
| 1-adamantaneacetic acid | [no description available] | medium | 1 | 0 | | |
| cortisone | [no description available] | medium | 1 | 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 |
| 3-coumaric acid | [no description available] | medium | 1 | 0 | 3-coumaric acid | |
| trans-4-coumaric acid | [no description available] | medium | 1 | 0 | 4-coumaric acid | food component;
mouse metabolite;
plant metabolite |
| 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 |
| thiopental | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic |
| epoprostenol | [no description available] | medium | 1 | 0 | prostaglandins I | mouse 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 |
| gold | [no description available] | medium | 4 | 0 | copper group element atom;
elemental gold | |
| carbamates | [no description available] | medium | 1 | 0 | amino-acid anion | |
| 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 |
| silicon | [no description available] | medium | 1 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
| nitroblue tetrazolium | [no description available] | medium | 1 | 0 | organic cation | |
| bromoform | [no description available] | medium | 1 | 0 | bromohydrocarbon;
bromomethanes | |
| 4-dichlorobenzene | [no description available] | medium | 1 | 0 | dichlorobenzene | insecticide |
| 1,4-dioxane | [no description available] | medium | 1 | 0 | dioxane;
volatile organic compound | carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent |
| urethane | [no description available] | medium | 2 | 0 | carbamate ester | fungal metabolite;
mutagen |
| methyl tert-butyl ether | [no description available] | medium | 1 | 0 | ether | fuel additive;
metabolite;
non-polar solvent |
| 3,3',5,5'-tetramethylbenzidine | [no description available] | medium | 8 | 0 | | |
| fast red b | [no description available] | medium | 1 | 0 | | |
| aa 861 | [no description available] | medium | 2 | 0 | 1,4-benzoquinones;
acetylenic compound;
primary alcohol | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor |
| malondialdehyde | [no description available] | medium | 2 | 0 | dialdehyde | biomarker |
| ferric chloride | [no description available] | medium | 1 | 0 | iron coordination entity | astringent;
Lewis acid |
| chlorine | [no description available] | medium | 1 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
| phosphoric acid | [no description available] | medium | 2 | 0 | phosphoric acids | algal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent |
| 4-aminodiphenylamine | [no description available] | medium | 1 | 0 | aromatic amine;
secondary amino compound | allergen |
| hydrazine | [no description available] | medium | 2 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| benzidine-4,4'-diimine | [no description available] | medium | 3 | 0 | | |
| isoprene | [no description available] | medium | 2 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
| prolinamide | [no description available] | medium | 1 | 0 | amino acid amide;
L-proline derivative;
pyrrolidinecarboxamide | |
| proline | [no description available] | medium | 1 | 0 | amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid | algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
| beta-pinene | [no description available] | medium | 1 | 0 | pinene | plant metabolite |
| phloroglucinol | [no description available] | medium | 1 | 0 | benzenetriol;
phenolic donor | algal metabolite |
| alpha-pinene | [no description available] | medium | 1 | 0 | pinene | plant metabolite |
| diethylhexyl phthalate | [no description available] | medium | 2 | 0 | diester;
phthalate ester | androstane receptor agonist;
apoptosis inhibitor;
plasticiser |
| cysteine | [no description available] | medium | 1 | 0 | cysteinium | fundamental metabolite |
| mercury | [no description available] | medium | 2 | 0 | elemental mercury;
zinc group element atom | neurotoxin |
| curcumin | [no description available] | medium | 2 | 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 |
| xmd 8-92 | [no description available] | medium | 1 | 0 | pyrimidobenzodiazepine | protein kinase inhibitor |
| 4-nonylphenol | [no description available] | medium | 1 | 0 | phenols | environmental contaminant |
| hexachlorobenzene | [no description available] | medium | 1 | 0 | aromatic fungicide;
chlorobenzenes | antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant |
| carbon disulfide | [no description available] | medium | 1 | 0 | one-carbon compound;
organosulfur compound | |
| direct black 3 | [no description available] | medium | 8 | 0 | | |
| aluminum | [no description available] | medium | 1 | 0 | boron group element atom;
elemental aluminium;
metal atom | |
| luminol | [no description available] | medium | 3 | 0 | | |
| rhodamine b | [no description available] | medium | 1 | 0 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
| betadex | [no description available] | medium | 2 | 0 | cyclodextrin | |
| mocetinostat | [no description available] | medium | 16 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| pyronine | [no description available] | medium | 1 | 0 | iminium salt;
organic chloride salt | histological dye |
| deoxyguanosine | [no description available] | medium | 2 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| n-hydroxy-4-aminobiphenyl | [no description available] | medium | 1 | 0 | aminobiphenyl;
N-substituted amine | carcinogenic agent;
human xenobiotic metabolite |
| 8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
| 2-bromopropane | [no description available] | medium | 1 | 0 | | |
| glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
| ethylene dimethacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen;
cross-linking reagent;
polymerisation monomer |
| laccase | [no description available] | medium | 2 | 0 | | |
| trypan blue | [no description available] | medium | 5 | 0 | | |
| c.i. direct blue 1 | [no description available] | medium | 1 | 0 | | |
| oxadiazoles | [no description available] | medium | 1 | 0 | | |
| 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
| sulfosalicylic acid | [no description available] | medium | 1 | 0 | arenesulfonic acid;
benzoic acids;
phenols | metabolite |
| leucogentian violet | [no description available] | medium | 1 | 0 | benzenoid aromatic compound | |
| titanium | [no description available] | medium | 2 | 0 | titanium group element atom | |
| gentian violet | [no description available] | medium | 1 | 0 | organic chloride salt | anthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye |
| titanium dioxide | [no description available] | medium | 2 | 0 | titanium oxides | food colouring |
| salicylates | [no description available] | medium | 1 | 0 | monohydroxybenzoate | plant metabolite |
| cyanogen | [no description available] | medium | 1 | 0 | dinitrile;
pseudohalogen | |
| methane | [no description available] | medium | 2 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
| diphenylguanidine | [no description available] | medium | 1 | 0 | guanidines | allergen |
| sodium metabisulfite | [no description available] | medium | 1 | 0 | inorganic sodium salt | food antioxidant |
| potassium dichromate | [no description available] | medium | 2 | 0 | potassium salt | allergen;
oxidising agent;
sensitiser |
| sulfites | [no description available] | medium | 1 | 0 | divalent inorganic anion;
sulfur oxide;
sulfur oxoanion | |
| methionine | [no description available] | medium | 1 | 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 |
| phosphorus radioisotopes | [no description available] | medium | 3 | 0 | | |
| 1,2-diphenylhydrazine | [no description available] | medium | 1 | 0 | | |
| 4-methoxy-3-phenylenediamine | [no description available] | medium | 1 | 0 | methoxybenzenes | |
| di-(4-aminophenyl)ether | [no description available] | medium | 1 | 0 | aromatic ether | |
| perylene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene;
perylenes | |
| 2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
| pheophytin a | [no description available] | medium | 1 | 0 | | |
| chlorophyll a | [no description available] | medium | 1 | 0 | chlorophyll;
methyl ester | cofactor |
| chlorine | [no description available] | medium | 2 | 0 | diatomic chlorine;
gas molecular entity | bleaching agent |
| naphthoquinones | [no description available] | medium | 1 | 0 | | |
| 1,2-naphthoquinone-4-sulfonate | [no description available] | medium | 1 | 0 | arenesulfonic acid;
naphthalenone | colorimetric reagent |
| diacetyl | [no description available] | medium | 1 | 0 | alpha-diketone | Escherichia coli metabolite;
Saccharomyces cerevisiae metabolite |
| thiocyanate | [no description available] | medium | 1 | 0 | pseudohalide anion;
sulfur molecular entity | human metabolite |
| sulfur | [no description available] | medium | 3 | 0 | chalcogen;
nonmetal atom | macronutrient |
| evans blue | [no description available] | medium | 1 | 0 | organic sodium salt | fluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent |
| ethionine | [no description available] | medium | 2 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
| dianisidine | [no description available] | medium | 12 | 0 | biphenyls | |
| iodine | [no description available] | medium | 1 | 0 | diatomic iodine | nutrient |
| iodine | [no description available] | medium | 1 | 0 | halide anion;
monoatomic iodine | human metabolite |
| ornithine | [no description available] | medium | 2 | 0 | non-proteinogenic L-alpha-amino acid;
ornithine | algal metabolite;
hepatoprotective agent;
mouse metabolite |
| heme | [no description available] | medium | 5 | 0 | | |
| tannins | [no description available] | medium | 1 | 0 | | |
| transferrin | [no description available] | medium | 1 | 0 | | |
| congo red | [no description available] | medium | 2 | 0 | bis(azo) compound | |
| caseins | [no description available] | medium | 1 | 0 | | |
| bis(diazo)benzidine | [no description available] | medium | 1 | 0 | | |
| rhodanine | [no description available] | medium | 1 | 0 | thiazolidinone | |
| thiazoles | [no description available] | medium | 3 | 0 | 1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| sulfuric acid | [no description available] | medium | 1 | 0 | sulfur oxoacid | catalyst |
| cyanogen bromide | [no description available] | medium | 1 | 0 | | |
| niacin | [no description available] | medium | 1 | 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 |
| glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| tetradecanoylphorbol acetate | [no description available] | medium | 3 | 0 | acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester | antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator |
| tellimagrandin i | [no description available] | medium | 1 | 0 | tannin | |
| delphinidin | [no description available] | medium | 1 | 0 | anthocyanidin chloride | |
| thionine | [no description available] | medium | 1 | 0 | | |
| 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 |
| ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt;
inorganic sulfate salt | fertilizer |
| nickel | [no description available] | medium | 1 | 0 | metal allergen;
nickel group element atom | epitope;
micronutrient |
| nas | [no description available] | medium | 1 | 0 | | |
| ammonium nickel sulfate | [no description available] | medium | 1 | 0 | ammonium salt;
metal sulfate;
nickel coordination entity | |
| ascorbic acid | [no description available] | medium | 5 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| n,n'-diacetylbenzidine | [no description available] | medium | 5 | 0 | biphenyls | |
| n-acetylbenzidine | [no description available] | medium | 9 | 0 | | |
| nitroaniline | [no description available] | medium | 1 | 0 | | |
| sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
| ammonium hydroxide | [no description available] | medium | 2 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
| indole-3-carbinol | [no description available] | medium | 2 | 0 | indolyl alcohol | antineoplastic agent;
plant metabolite |
| epigallocatechin gallate | [no description available] | medium | 2 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| vanillic acid | [no description available] | medium | 2 | 0 | methoxybenzoic acid;
monohydroxybenzoic acid | plant metabolite |
| indole-3-carbaldehyde | [no description available] | medium | 2 | 0 | heteroarenecarbaldehyde;
indole alkaloid;
indoles | bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite |
| phenethylamine | [no description available] | medium | 1 | 0 | alkaloid;
aralkylamine;
phenylethylamine | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| 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 |
| carbon monoxide | [no description available] | medium | 4 | 0 | carbon oxide;
gas molecular entity;
one-carbon compound | biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent |
| uridine diphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite |
| 4-toluidine | [no description available] | medium | 2 | 0 | aminotoluene | |
| tetracyanoquinodimethane | [no description available] | medium | 1 | 0 | alicyclic compound;
nitrile;
quinodimethane | |
| 4-phenylenediamine | [no description available] | medium | 2 | 0 | phenylenediamine | allergen;
dye;
hapten;
reagent |
| edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| linoleic acid | [no description available] | medium | 2 | 0 | octadecadienoic acid;
omega-6 fatty acid | algal metabolite;
Daphnia galeata metabolite;
plant metabolite |
| 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 |
| losartan potassium | [no description available] | medium | 3 | 0 | | |
| phytic acid | [no description available] | medium | 1 | 0 | inositol phosphate | |
| nad | [no description available] | medium | 3 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| benzo(a)pyrene | [no description available] | medium | 15 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| benzo(a)pyrene | [no description available] | medium | 15 | 4 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| 3-methylcholanthrene | [no description available] | medium | 5 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| methylnitronitrosoguanidine | [no description available] | medium | 2 | 0 | nitroso compound | alkylating agent |
| aflatoxin b1 | [no description available] | medium | 5 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| anft | [no description available] | medium | 3 | 0 | | |
| arachidonic acid | [no description available] | medium | 8 | 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 |
| acetyl coenzyme a | [no description available] | medium | 3 | 0 | acyl-CoA | acyl donor;
coenzyme;
effector;
fundamental metabolite |
| phenidone | [no description available] | medium | 2 | 0 | | |
| 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 |
| methimazole | [no description available] | medium | 2 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
| 2-aminomethyl-4-t-butyl-6-iodophenol | [no description available] | medium | 1 | 0 | | |
| thymidine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite |
| dithionite | [no description available] | medium | 1 | 0 | sulfur oxide;
sulfur oxoanion | |
| p-dimethylaminoazobenzene | [no description available] | medium | 7 | 0 | azobenzenes | |
| 3-hydroxyanthranilic acid | [no description available] | medium | 1 | 0 | aminobenzoic acid;
monohydroxybenzoic acid | human metabolite;
mouse metabolite |
| direct blue 15 | [no description available] | medium | 1 | 0 | | |
| n-methylacetamide | [no description available] | medium | 1 | 0 | acetamides;
monocarboxylic acid amide | metabolite |
| enkephalin, leucine | [no description available] | medium | 2 | 0 | pentapeptide;
peptide zwitterion | analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite |
| substance p | [no description available] | medium | 3 | 0 | peptide | neurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent |
| silver | [no description available] | medium | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| 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 |
| mandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid;
benzenes | antibacterial agent;
human xenobiotic metabolite |
| styrene | [no description available] | medium | 1 | 0 | styrenes;
vinylarene;
volatile organic compound | mouse metabolite;
mutagen;
plant metabolite |
| monocrotaline | [no description available] | medium | 1 | 0 | pyrrolizidine alkaloid | |
| heliotrine | [no description available] | medium | 1 | 0 | pyrrolizines | |
| imidazole | [no description available] | medium | 1 | 0 | imidazole | |
| hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride;
oxygen radical;
reactive oxygen species | |
| adenosine diphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate | fundamental metabolite;
human metabolite |
| fenton's reagent | [no description available] | medium | 1 | 0 | | |
| 2,4-diaminotoluene | [no description available] | medium | 2 | 0 | aminotoluene | metabolite |
| tartrazine | [no description available] | medium | 2 | 0 | | |
| nonoxynol | [no description available] | medium | 1 | 0 | | |
| c.i. 42510 | [no description available] | medium | 4 | 0 | | |
| hematoxylin | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol | histological dye;
plant metabolite |
| ferric ferrocyanide | [no description available] | medium | 1 | 0 | | |
| eosine yellowish-(ys) | [no description available] | medium | 1 | 0 | organic sodium salt;
organobromine compound | fluorochrome;
histological dye |
| sulfan blue | [no description available] | medium | 1 | 0 | organic molecular entity | |
| deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
| 3,3'-diaminobenzidine | [no description available] | medium | 5 | 0 | biphenyls;
substituted aniline | histological dye |
| neurotensin | [no description available] | medium | 1 | 0 | peptide hormone | human metabolite;
mitogen;
neurotransmitter;
vulnerary |
| nadp | [no description available] | medium | 4 | 0 | | |
| fmrfamide | [no description available] | medium | 1 | 0 | | |
| neutral red | [no description available] | medium | 2 | 0 | hydrochloride | acid-base indicator;
dye;
two-colour indicator |
| dimethyl sulfoxide | [no description available] | medium | 7 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| manganese | [no description available] | medium | 2 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
| dihydroxyethyldithiocarbamate | [no description available] | medium | 1 | 0 | | |
| potassium chloride | [no description available] | medium | 1 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
| concanavalin a | [no description available] | medium | 2 | 0 | | |
| thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
| methyldimethylaminoazobenzene | [no description available] | medium | 1 | 0 | | |
| epidermal growth factor | [no description available] | medium | 1 | 0 | | |
| 4-acetylaminofluorene | [no description available] | medium | 1 | 0 | acetamides;
fluorenes | mitogen |
| 4-nitrobiphenyl | [no description available] | medium | 2 | 0 | biphenyls | |
| guanosine | [no description available] | medium | 1 | 0 | guanosines;
purines D-ribonucleoside | fundamental metabolite |
| chlordan | [no description available] | medium | 1 | 0 | cyclodiene organochlorine insecticide | GABA-gated chloride channel antagonist;
persistent organic pollutant |
| chlornaphazin | [no description available] | medium | 1 | 0 | naphthalenes | |
| benzophenoneidum | [no description available] | medium | 1 | 0 | hydrochloride | fluorochrome;
histological dye |
| cytarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside | antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent |
| resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| stilbenes | [no description available] | medium | 2 | 0 | stilbene | |
| masoprocol | [no description available] | medium | 1 | 0 | nordihydroguaiaretic acid | antineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite |
| acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile;
volatile organic compound | antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent |
| cyanides | [no description available] | medium | 2 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| 4,4''-diaminoterphenyl | [no description available] | medium | 4 | 0 | | |
| tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical |
| allyl isothiocyanate | [no description available] | medium | 1 | 0 | alkenyl isothiocyanate;
isothiocyanate | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite |
| n-butyl mercaptan | [no description available] | medium | 1 | 0 | alkanethiol | |
| trichostatin a | [no description available] | medium | 1 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
| isothiocyanic acid | [no description available] | medium | 1 | 0 | hydracid;
one-carbon compound | |
| phenyl acetate | [no description available] | medium | 1 | 0 | benzenes;
phenyl acetates | |
| neuropeptide y | [no description available] | medium | 1 | 0 | | |
| uridine diphosphate glucuronic acid | [no description available] | medium | 1 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| guaiacol | [no description available] | medium | 1 | 0 | guaiacols | disinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite |
| thymolphthalein | [no description available] | medium | 1 | 0 | terpene lactone | |
| leucomalachite green | [no description available] | medium | 1 | 0 | benzenoid aromatic compound | |
| 5-bromo-4-chloro-3-indoxyl phosphate | [no description available] | medium | 1 | 0 | aryl phosphate;
indoles;
organobromine compound;
organochlorine compound | chromogenic compound |
| cysteamine | [no description available] | medium | 1 | 0 | amine;
thiol | geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent |
| ozone | [no description available] | medium | 1 | 0 | elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen | antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer |
| aclacinomycin | [no description available] | medium | 1 | 0 | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite |
| aclarubicin | [no description available] | medium | 1 | 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 |
| hexamethylene bisacetamide | [no description available] | medium | 2 | 0 | acetamides | |
| 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 |
| safranine t | [no description available] | medium | 2 | 0 | organic chloride salt | fluorochrome;
histological dye |
| neozone | [no description available] | medium | 1 | 0 | naphthalenes | |
| dimethylnitrosamine | [no description available] | medium | 1 | 0 | nitrosamine | geroprotector;
mutagen |
| propyl-n'-nitro-n-nitrosoguanidine | [no description available] | medium | 1 | 0 | | |
| 9,10-dimethyl-1,2-benzanthracene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene;
tetraphenes | carcinogenic agent |
| mitomycin | [no description available] | medium | 3 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
| alkenes | [no description available] | medium | 2 | 0 | | |
| 5-phenylpent-4-enyl-1-hydroperoxide | [no description available] | medium | 2 | 0 | | |
| ethyl methanesulfonate | [no description available] | medium | 9 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent |
| ethyl methanesulfonate | [no description available] | medium | 9 | 4 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent |
| 2,6-xylidine | [no description available] | medium | 1 | 0 | dimethylaniline;
primary arylamine | carcinogenic agent;
drug metabolite |
| catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| dioctyl adipate | [no description available] | medium | 1 | 0 | carboxylic ester | |
| aldrin | [no description available] | medium | 1 | 0 | | |
| diethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | carcinogenic agent;
hepatotoxic agent;
mutagen |
| 4-chloro-1-naphthol | [no description available] | medium | 2 | 0 | | |
| chlorodiphenyl (54% chlorine) | [no description available] | medium | 1 | 0 | | |
| n-methyl-4-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
| phorbols | [no description available] | medium | 1 | 0 | diterpene;
terpenoid fundamental parent | |
| sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 8-bromocyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide;
organobromine compound | muscle relaxant;
protein kinase G agonist |
| 4-cyano-n,n-dimethylaniline | [no description available] | medium | 3 | 0 | | |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| n-hydroxy-3,2'-dimethyl-4-aminobiphenyl | [no description available] | medium | 1 | 0 | | |
| paraoxon | [no description available] | medium | 1 | 0 | aryl dialkyl phosphate;
organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite |
| direct blue 6 | [no description available] | medium | 1 | 0 | | |
| amiloride | [no description available] | medium | 1 | 0 | aromatic amine;
guanidines;
organochlorine compound;
pyrazines | diuretic;
sodium channel blocker |
| acetylcysteine | [no description available] | medium | 2 | 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 |
| alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
| chromium | [no description available] | medium | 1 | 0 | chromium group element atom;
metal allergen | micronutrient |
| d.c. red no. 33 | [no description available] | medium | 1 | 0 | | |
| new fuchsin | [no description available] | medium | 1 | 0 | hydrochloride | fluorochrome;
histological dye |
| naphthol as-bi phosphate | [no description available] | medium | 1 | 0 | | |
| 3-amino-9-ethylcarbazole | [no description available] | medium | 1 | 0 | carbazoles | |
| fast blue bb | [no description available] | medium | 1 | 0 | | |
| alpha-naphthyl butyrate | [no description available] | medium | 1 | 0 | | |
| acid phosphatase | [no description available] | medium | 1 | 0 | | |
| razoxane | [no description available] | medium | 1 | 0 | N-alkylpiperazine | |
| 1,8-dinitropyrene | [no description available] | medium | 1 | 0 | pyrenes | |
| phenanthrenes | [no description available] | medium | 1 | 0 | | |
| 2-nitropropane | [no description available] | low | 0 | 0 | secondary nitroalkane | carcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic |
| 1,2-dimethylhydrazine | [no description available] | low | 0 | 0 | hydrazines | alkylating agent;
carcinogenic agent |
| 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine | [no description available] | low | 0 | 0 | imidazopyridine;
primary amino compound | carcinogenic agent;
mutagen |
| aristolochic acid i | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| busulfan | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent |
| chlorambucil | [no description available] | low | 0 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| dacarbazine | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid amide;
triazene derivative | alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug |
| methapyrilene | [no description available] | low | 0 | 0 | ethylenediamine derivative | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| methyl methanesulfonate | [no description available] | low | 0 | 0 | methanesulfonate ester | alkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen |
| patulin | [no description available] | low | 0 | 0 | furopyran;
gamma-lactone;
lactol | antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite |
| phenazopyridine | [no description available] | low | 0 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| semustine | [no description available] | low | 0 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent |
| 4-nitroquinoline-1-oxide | [no description available] | low | 0 | 0 | C-nitro compound;
quinoline N-oxide | carcinogenic agent |
| dimazine | [no description available] | low | 0 | 0 | hydrazines | carcinogenic agent;
fuel;
teratogenic agent |
| n-nitrosomorpholine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent;
mutagen |
| diethyl sulfate | [no description available] | low | 0 | 0 | alkyl sulfate | alkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen |
| hexachloroethane | [no description available] | low | 0 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
| bromoethane | [no description available] | low | 0 | 0 | bromoalkane;
bromohydrocarbon;
volatile organic compound | alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent |
| vinyl chloride | [no description available] | low | 0 | 0 | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent |
| methylene chloride | [no description available] | low | 0 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
| vinylidene chloride | [no description available] | low | 0 | 0 | chloroethenes | carcinogenic agent;
mouse metabolite;
mutagen |
| trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| acrylamide | [no description available] | low | 0 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
| acriflavine chloride | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator |
| 2-nitrotoluene | [no description available] | low | 0 | 0 | mononitrotoluene | carcinogenic agent;
environmental contaminant |
| 1-methylnaphthalene | [no description available] | low | 0 | 0 | methylnaphthalene | carcinogenic agent;
plant metabolite |
| 2-nitroanisole | [no description available] | low | 0 | 0 | 2-nitroanisoles | carcinogenic agent |
| proflavine | [no description available] | low | 0 | 0 | aminoacridines | antibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator |
| 2-toluidine | [no description available] | low | 0 | 0 | aminotoluene | carcinogenic agent |
| benzotrichloride | [no description available] | low | 0 | 0 | benzenes;
organochlorine compound;
volatile organic compound | carcinogenic agent |
| benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride;
benzenes | carcinogenic agent |
| n-nitrosopiperidine | [no description available] | low | 0 | 0 | nitrosamine;
piperidine | apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen |
| 4-vinyl-1-cyclohexene dioxide | [no description available] | low | 0 | 0 | epoxide | carcinogenic agent |
| ethylene dibromide | [no description available] | low | 0 | 0 | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen |
| 1,3-butadiene | [no description available] | low | 0 | 0 | butadiene | carcinogenic agent;
mutagen |
| chlorendic acid | [no description available] | low | 0 | 0 | bridged compound;
dicarboxylic acid;
organochlorine compound | carcinogenic agent |
| methapyrilene hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | anti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative |
| phenazopyridine hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| nitrilotriacetic acid | [no description available] | low | 0 | 0 | NTA;
tricarboxylic acid | carcinogenic agent;
nephrotoxic agent |
| estragole | [no description available] | low | 0 | 0 | alkenylbenzene;
monomethoxybenzene;
phenylpropanoid | carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite |
| benzo(e)pyrene | [no description available] | low | 0 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mutagen |
| diazomethane | [no description available] | low | 0 | 0 | diazo compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
poison |
| perfluorooctanoic acid | [no description available] | low | 0 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
| 4-methylcatechol | [no description available] | low | 0 | 0 | methylcatechol | antioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite |
| mustard gas | [no description available] | low | 0 | 0 | ethyl sulfide;
organochlorine compound | alkylating agent;
carcinogenic agent;
vesicant |
| 1,2-naphthoquinone | [no description available] | low | 0 | 0 | 1,2-naphthoquinones | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| bis(chloromethyl) ether | [no description available] | low | 0 | 0 | ether;
organochlorine compound | alkylating agent;
carcinogenic agent |
| malachite green | [no description available] | low | 0 | 0 | organic chloride salt | antibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent |
| 2-nitrofluorene | [no description available] | low | 0 | 0 | nitroarene | carcinogenic agent;
mutagen |
| methylnitrosourea | [no description available] | low | 0 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent |
| 2,6-dichlorobenzoquinone | [no description available] | low | 0 | 0 | 1,4-benzoquinones;
organochlorine compound | carcinogenic agent;
poison |
| ethylnitrosourea | [no description available] | low | 0 | 0 | N-nitrosoureas | alkylating agent;
carcinogenic agent;
genotoxin;
mutagen |
| 4-methylimidazole | [no description available] | low | 0 | 0 | imidazoles | carcinogenic agent;
reaction intermediate |
| beryllium oxide | [no description available] | low | 0 | 0 | beryllium molecular entity;
metal oxide | carcinogenic agent |
| 1,5-naphthalenediamine | [no description available] | low | 0 | 0 | naphthalenediamine | carcinogenic agent |
| 5-methoxyindoleacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
indole-3-acetic acids | antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite |
| butylhydroxybutylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine;
primary alcohol | carcinogenic agent |
| 1-nitropyrene | [no description available] | low | 0 | 0 | nitroarene | carcinogenic agent |
| cyclophosphamide | [no description available] | low | 0 | 0 | hydrate | alkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent |
| nitrosocarbaryl | [no description available] | low | 0 | 0 | carbamate ester;
naphthalenes;
nitroso compound | carcinogenic agent;
mutagen |
| phosphine | [no description available] | low | 0 | 0 | mononuclear parent hydride;
phosphanes;
phosphine | carcinogenic agent;
fumigant insecticide |
| lead chromate | [no description available] | low | 0 | 0 | chromium coordination entity;
lead coordination entity | carcinogenic agent;
nephrotoxin;
neurotoxin |
| sodium chromate(vi) | [no description available] | low | 0 | 0 | inorganic sodium salt | carcinogenic agent;
diagnostic agent;
oxidising agent;
poison |
| beryllium chloride | [no description available] | low | 0 | 0 | beryllium molecular entity;
inorganic chloride | carcinogenic agent;
genotoxin |
| potassium chromate(vi) | [no description available] | low | 0 | 0 | potassium salt | carcinogenic agent;
oxidising agent |
| cadmium nitrate | [no description available] | low | 0 | 0 | cadmium salt;
inorganic nitrate salt | carcinogenic agent;
genotoxin;
hepatotoxic agent |
| n-ethyl-n-hydroxyethylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine;
primary alcohol | carcinogenic agent |
| n-amyl-n-methylnitrosamine | [no description available] | low | 0 | 0 | nitrosamine | carcinogenic agent |
| n-nitrososarcosine | [no description available] | low | 0 | 0 | nitrosamine;
non-proteinogenic amino acid derivative | carcinogenic agent |
| ferric nitrilotriacetate | [no description available] | low | 0 | 0 | iron chelate | carcinogenic agent;
mutagen |
| butyl(3-carboxypropyl)nitrosamine | [no description available] | low | 0 | 0 | monocarboxylic acid;
nitrosamine | carcinogenic agent |
| diisopropanolnitrosamine | [no description available] | low | 0 | 0 | diol;
nitrosamine;
secondary alcohol | carcinogenic agent |
| nitrosobis(2-oxopropyl)amine | [no description available] | low | 0 | 0 | ketone;
nitrosamine | carcinogenic agent |
| 2-amino-3-methylimidazo(4,5-f)quinoline | [no description available] | low | 0 | 0 | imidazoquinoline | carcinogenic agent |
| 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline | [no description available] | low | 0 | 0 | aromatic amine;
imidazoquinoxaline | carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen |
| musk xylene | [no description available] | low | 0 | 0 | C-nitro compound | carcinogenic agent;
explosive;
fragrance |
| scarlet red | [no description available] | low | 0 | 0 | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye |
| sudan iii | [no description available] | low | 0 | 0 | azobenzenes;
bis(azo) compound;
naphthols | carcinogenic agent;
fluorochrome;
histological dye |
| xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite |
| aflatoxin q1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite |
| 4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol | [no description available] | low | 0 | 0 | nitrosamine;
pyridines;
secondary alcohol | biomarker;
carcinogenic agent;
human urinary metabolite |
| thiamethoxam | [no description available] | low | 0 | 0 | 1,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane | antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| aristolochic acid ii | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| ponceau mx | [no description available] | low | 0 | 0 | azobenzenes;
naphthalenesulfonic acid;
naphthols | carcinogenic agent;
cardiotoxic agent |
| aristolochic acid D | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
nephrotoxin;
toxin |
| methanearsonous acid | [no description available] | low | 0 | 0 | arsonous acids;
one-carbon compound | carcinogenic agent;
human xenobiotic metabolite;
poison |
| aristolochic acid c | [no description available] | low | 0 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| ochratoxin a | [no description available] | low | 0 | 0 | isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent |
| sodium arsenite | [no description available] | low | 0 | 0 | arsenic molecular entity;
inorganic sodium salt | antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide |
| melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| versicolorin a | [no description available] | low | 0 | 0 | cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol | Aspergillus metabolite;
carcinogenic agent |
| dieldrin | [no description available] | low | 0 | 0 | epoxide;
organochlorine compound;
organochlorine insecticide | carcinogenic agent;
xenobiotic |
| fumonisin b1 | [no description available] | low | 0 | 0 | diester;
fumonisin;
primary amino compound;
triol | carcinogenic agent;
metabolite |
| fumonisin b2 | [no description available] | low | 0 | 0 | diester;
diol;
fumonisin;
primary amino compound | Aspergillus metabolite;
carcinogenic agent |
| riddelliine | [no description available] | low | 0 | 0 | macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid | carcinogenic agent;
genotoxin;
mutagen |
| cyclosporine | [no description available] | low | 0 | 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 |
| beryllium | [no description available] | low | 0 | 0 | alkaline earth metal atom;
elemental beryllium;
metal allergen | adjuvant;
carcinogenic agent;
epitope |
| riddelliine n-oxide | [no description available] | low | 0 | 0 | diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide | carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite |
| gw 501516 | [no description available] | low | 0 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
| 3,6-diamino-10-methylacridinium chloride hydrochloride | [no description available] | low | 0 | 0 | hydrochloride | antibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator |
| 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 |
| aplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| colibactin | [no description available] | low | 0 | 0 | 1,3-thiazoles;
azaspiro compound;
polyketide;
pyrroline;
secondary carboxamide | alkylating agent;
carcinogenic agent;
Escherichia coli metabolite;
genotoxin |
| candesartan cilexetil | [no description available] | low | 0 | 0 | biphenyls | |
| 4-biphenylylacetic acid | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| 2-amino-4-phenylphenol | [no description available] | low | 0 | 0 | biphenyls | |
| 4-biphenylylacetic acid ethyl ester | [no description available] | low | 0 | 0 | biphenyls | |
| brequinar | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor |
| tasosartan | [no description available] | low | 0 | 0 | biphenyls | |
| telmisartan | [no description available] | low | 0 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| clobuzarit | [no description available] | low | 0 | 0 | biphenyls;
organochlorine compound | |
| magnolol | [no description available] | low | 0 | 0 | biphenyls | |
| honokiol | [no description available] | low | 0 | 0 | biphenyls | |
| bitertanol | [no description available] | low | 0 | 0 | aromatic ether;
biphenyls;
secondary alcohol;
triazoles | |
| isodiospyrin | [no description available] | low | 0 | 0 | biphenyls | |
| difenpiramide | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid amide;
pyridines | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 2-(4-phenylphenoxy)propanoic acid | [no description available] | low | 0 | 0 | biphenyls | |
| 4-hydroxy-2',4',6'-trichlorobiphenyl | [no description available] | low | 0 | 0 | biphenyls;
trichlorobenzene | |
| 4-hydroxy-2',3',4'-5'-tetrachlorobiphenyl | [no description available] | low | 0 | 0 | biphenyls;
tetrachlorobenzene | |
| dityrosine | [no description available] | low | 0 | 0 | biphenyls;
non-proteinogenic alpha-amino acid;
tyrosine derivative | biomarker |
| 4,4'-bis(methylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl | [no description available] | low | 0 | 0 | biphenyls;
dichlorobenzene;
sulfone | |
| nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent |
| olmesartan medoxomil | [no description available] | low | 0 | 0 | biphenyls | |
| 4'-hydroxyflurbiprofen | [no description available] | low | 0 | 0 | biphenyls | |
| dehydrodieugenol | [no description available] | low | 0 | 0 | biphenyls | |
| bifeprunox | [no description available] | low | 0 | 0 | biphenyls | |
| 2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide | [no description available] | low | 0 | 0 | anilide fungicide;
biphenyls;
monochlorobenzenes;
pyridinecarboxamide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
environmental contaminant;
xenobiotic |
| aucuparin | [no description available] | low | 0 | 0 | biphenyls | |
| 2-[(3,4-dimethoxyphenyl)methyl]-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | biphenyls | |
| 2-(2,5-dimethoxyphenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | biphenyls | |
| (2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide) | [no description available] | low | 0 | 0 | biphenyls | |
| 4-phenylbenzoic acid (propan-2-ylideneamino) ester | [no description available] | low | 0 | 0 | biphenyls | |
| N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide | [no description available] | low | 0 | 0 | biphenyls | |
| 4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide | [no description available] | low | 0 | 0 | biphenyls | |
| 2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide | [no description available] | low | 0 | 0 | biphenyls | |
| 3-phenyl-5-(2-phenylphenyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | biphenyls | |
| N-[[methyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-phenylbenzamide | [no description available] | low | 0 | 0 | biphenyls | |
| N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide | [no description available] | low | 0 | 0 | biphenyls | |
| urb 597 | [no description available] | low | 0 | 0 | biphenyls | |
| 3-(4-phenylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | [no description available] | low | 0 | 0 | biphenyls | |
| ac 55649 | [no description available] | low | 0 | 0 | biphenyls;
carboxybiphenyl | |
| 1-[3-(4-phenylphenoxy)propyl]-1,2,4-triazole | [no description available] | low | 0 | 0 | biphenyls | |
| N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | biphenyls | |
| 2-(2-phenylanilino)-N-(phenylmethyl)acetamide | [no description available] | low | 0 | 0 | biphenyls | |
| 4-(2-fluorophenyl)-N-(2-methylbut-3-yn-2-yl)benzamide | [no description available] | low | 0 | 0 | biphenyls | |
| 5-oxo-3-(4-phenylphenyl)-2H-furan-4-carbonitrile | [no description available] | low | 0 | 0 | biphenyls | |
| N-([biphenyl]-2-yl)-3-cyclopentylpropanamide | [no description available] | low | 0 | 0 | biphenyls;
cyclopentanes;
secondary carboxamide | |
| 1-(4-morpholinyl)-2-(4-phenylphenoxy)-1-propanone | [no description available] | low | 0 | 0 | biphenyls | |
| 2-(4-morpholinyl)-N-(2-phenylphenyl)propanamide | [no description available] | low | 0 | 0 | biphenyls | |
| 4-[4-[2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile | [no description available] | low | 0 | 0 | biphenyls;
nitrile | |
| 3-[4-[(2-hydroxy-5-phenylphenyl)methyl]-1-piperazinyl]propanenitrile | [no description available] | low | 0 | 0 | biphenyls | |
| N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide | [no description available] | low | 0 | 0 | biphenyls | |
| 2-phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester | [no description available] | low | 0 | 0 | biphenyls | |
| 2-(4-benzoyl-1-piperazinyl)-N-(2-phenylphenyl)propanamide | [no description available] | low | 0 | 0 | biphenyls | |
| fexaramine | [no description available] | low | 0 | 0 | biphenyls | |
| alx 5407 | [no description available] | low | 0 | 0 | biphenyls | |
| bay 12-9566 | [no description available] | low | 0 | 0 | biphenyls;
organochlorine compound | |
| sacubitril | [no description available] | low | 0 | 0 | biphenyls | |
| biphenyl-indanone a | [no description available] | low | 0 | 0 | biphenyls | |
| fimasartan | [no description available] | low | 0 | 0 | biphenyls | |
| 2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid | [no description available] | low | 0 | 0 | biphenyls;
organobromine compound | |
| l-161982 | [no description available] | low | 0 | 0 | biphenyls | |
| N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide | [no description available] | low | 0 | 0 | 1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| abt-737 | [no description available] | low | 0 | 0 | aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound | anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide | [no description available] | low | 0 | 0 | biphenyls | |
| ly2183240 | [no description available] | low | 0 | 0 | biphenyls | |
| fluxapyroxad | [no description available] | low | 0 | 0 | anilide fungicide;
aromatic amide;
biphenyls;
pyrazoles;
trifluorobenzene | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| (3R,3aS,7R,7aS)-3-[4-[4-(dimethylamino)phenyl]-2-fluorophenyl]-7-methyl-2-(phenylmethyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one | [no description available] | low | 0 | 0 | biphenyls | |
| 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | biphenyls | |
| WWL113 | [no description available] | low | 0 | 0 | biphenyls | |
| lde225 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist |
| N-[3-(3-chlorophenyl)phenyl]-1-(3-isoxazolylmethyl)-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | biphenyls;
organochlorine compound | |
| N-[3-(3-chlorophenyl)phenyl]-1-(3-oxolanylmethyl)-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | biphenyls;
organochlorine compound | |
| 4-(4-acetyloxyphenyl)benzoic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | biphenyls | |
| N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide | [no description available] | low | 0 | 0 | benzamides;
biphenyls;
cyclopropanes;
dicarboxylic acid diamide | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| tak-875 | [no description available] | low | 0 | 0 | biphenyls | |
| bms-790052 | [no description available] | low | 0 | 0 | biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative | antiviral drug;
nonstructural protein 5A inhibitor |
| (2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol | [no description available] | low | 0 | 0 | biphenyls | |
| 4-[(1-methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | biphenyls;
thienopyrimidine | |
| ml228 probe | [no description available] | low | 0 | 0 | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator |
| a 769662 | [no description available] | low | 0 | 0 | biphenyls | |
| kynurenine | [no description available] | low | 0 | 0 | aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline | human metabolite |
| 3-aminobenzamide | [no description available] | low | 0 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 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 |
| aminoglutethimide | [no description available] | low | 0 | 0 | dicarboximide;
piperidones;
substituted aniline | adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor |
| benefin | [no description available] | low | 0 | 0 | C-nitro compound;
organofluorine compound;
substituted aniline;
tertiary amino compound | agrochemical;
herbicide |
| bromhexine | [no description available] | low | 0 | 0 | organobromine compound;
substituted aniline;
tertiary amino compound | mucolytic |
| ci 994 | [no description available] | low | 0 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| clenbuterol | [no description available] | low | 0 | 0 | amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| metoclopramide | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound | antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic |
| entinostat | [no description available] | low | 0 | 0 | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| nemonapride | [no description available] | low | 0 | 0 | benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline | |
| benoxinate | [no description available] | low | 0 | 0 | amino acid ester;
benzoate ester;
substituted aniline;
tertiary amino compound | drug allergen;
local anaesthetic;
topical anaesthetic |
| pd168393 | [no description available] | low | 0 | 0 | acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline | epidermal growth factor receptor antagonist |
| sulfamethoxazole | [no description available] | low | 0 | 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 |
| trifluralin | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
C-nitro compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| phentolamine | [no description available] | low | 0 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| methyl n-methylanthranilate | [no description available] | low | 0 | 0 | benzoate ester;
methyl ester;
secondary amino compound;
substituted aniline | animal metabolite;
fungal metabolite;
plant metabolite |
| 2,4,6-trimethylaniline | [no description available] | low | 0 | 0 | substituted aniline | |
| anthranilamide | [no description available] | low | 0 | 0 | substituted aniline | |
| 2-anisidine | [no description available] | low | 0 | 0 | monomethoxybenzene;
primary amino compound;
substituted aniline | genotoxin;
reagent |
| phenetidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 5-nitro-2-methoxyaniline | [no description available] | low | 0 | 0 | 4-nitroanisoles;
substituted aniline | |
| dimethyl-4-phenylenediamine | [no description available] | low | 0 | 0 | diamine;
substituted aniline | |
| 4-(dimethylamino)benzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes;
substituted aniline;
tertiary amino compound | chromogenic compound |
| 3-hydroxydiphenylamine | [no description available] | low | 0 | 0 | substituted aniline | |
| benzonatate | [no description available] | low | 0 | 0 | benzoate ester;
secondary amino compound;
substituted aniline | anaesthetic;
antitussive |
| 4-anisidine | [no description available] | low | 0 | 0 | methoxybenzenes;
primary amino compound;
substituted aniline | genotoxin;
reagent |
| 2-aminothiophenol | [no description available] | low | 0 | 0 | aryl thiol;
substituted aniline | plant metabolite |
| 2,4,5-trimethylaniline | [no description available] | low | 0 | 0 | substituted aniline | |
| 4,4'-thiodianiline | [no description available] | low | 0 | 0 | substituted aniline | |
| anileridine | [no description available] | low | 0 | 0 | ethyl ester;
piperidinecarboxylate ester;
substituted aniline | opioid analgesic;
opioid receptor agonist |
| 4-trifluoromethylaniline | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
substituted aniline | metabolite |
| 3-anisidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| oxophenarsine | [no description available] | low | 0 | 0 | substituted aniline | |
| c.i. solvent yellow 56 | [no description available] | low | 0 | 0 | azobenzenes;
substituted aniline;
tertiary amino compound | dye;
mutagen |
| asulam | [no description available] | low | 0 | 0 | carbamate ester;
primary amino compound;
substituted aniline;
sulfonamide | agrochemical;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| st 91 | [no description available] | low | 0 | 0 | substituted aniline | |
| 4-hexyloxyaniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| pendimethalin | [no description available] | low | 0 | 0 | C-nitro compound;
secondary amino compound;
substituted aniline | agrochemical;
environmental contaminant;
herbicide |
| bromfenac | [no description available] | low | 0 | 0 | aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline | non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| sulfametrole | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles | |
| sulfaperine | [no description available] | low | 0 | 0 | pyrimidines;
substituted aniline;
sulfonamide antibiotic | antibacterial drug |
| 2-(1H-benzimidazol-2-yl)aniline | [no description available] | low | 0 | 0 | benzimidazoles;
primary arylamine;
substituted aniline | geroprotector |
| aclonifen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
primary amino compound;
substituted aniline | agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| mosapride | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | |
| 1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline | geroprotector;
serotonergic agonist |
| 4-aminophenyl alpha-d-mannopyranoside | [no description available] | low | 0 | 0 | alpha-D-mannoside;
substituted aniline | |
| aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline | H2-receptor antagonist |
| 4-aminobenzoylglutamic acid | [no description available] | low | 0 | 0 | dicarboxylic acid;
dipeptide;
N-acyl-L-alpha-amino acid;
substituted aniline | |
| 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 6-(2-chloroanilino)-4-oxo-2-(4-pyridyl)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile | [no description available] | low | 0 | 0 | substituted aniline | |
| N2-phenyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine | [no description available] | low | 0 | 0 | substituted aniline | |
| gant 61 | [no description available] | low | 0 | 0 | aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor |
| 3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone | [no description available] | low | 0 | 0 | substituted aniline | |
| cgp 60474 | [no description available] | low | 0 | 0 | substituted aniline | |
| 4,4-dimethyl-N2-(2-methylphenyl)-1H-1,3,5-triazine-2,6-diamine | [no description available] | low | 0 | 0 | substituted aniline | |
| brd32048 | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| stf 62247 | [no description available] | low | 0 | 0 | substituted aniline | |
| N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine | [no description available] | low | 0 | 0 | aromatic amine;
monofluorobenzenes;
pyridines;
quinazolines;
secondary amino compound;
substituted aniline | |
| 4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 6-anilino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione | [no description available] | low | 0 | 0 | substituted aniline | |
| 3-(2-Methyl-1,3-thiazol-4-yl)aniline | [no description available] | low | 0 | 0 | substituted aniline | |
| N-phenyl-4-pyridin-4-yl-2-thiazolamine | [no description available] | low | 0 | 0 | substituted aniline | |
| 4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol | [no description available] | low | 0 | 0 | substituted aniline | |
| 1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N2,N4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-[2-(3-methoxyanilino)-4-thiazolyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-(4-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone | [no description available] | low | 0 | 0 | substituted aniline | |
| N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(4-fluorophenyl)-4-(3-pyridinyl)-2-thiazolamine | [no description available] | low | 0 | 0 | substituted aniline | |
| 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 7-anilino-3-(4-bromophenyl)-5-(4-morpholinyl)-1,4-thiazepine-6-carbonitrile | [no description available] | low | 0 | 0 | substituted aniline | |
| 4,6-bis(1-imidazolyl)-N,N-diphenyl-1,3,5-triazin-2-amine | [no description available] | low | 0 | 0 | substituted aniline | |
| 1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(4-chlorophenyl)-4-methyl-2-thiazolamine | [no description available] | low | 0 | 0 | substituted aniline | |
| N4-(2-methoxyphenyl)benzene-1,4-diamine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide | [no description available] | low | 0 | 0 | acetamide;
aromatic amine;
quinazolines;
secondary amino compound;
substituted aniline | |
| 1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 5-anilino-3-oxo-4-isothiazolecarbonitrile | [no description available] | low | 0 | 0 | substituted aniline | |
| 5-(4-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | [no description available] | low | 0 | 0 | substituted aniline | |
| 5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile | [no description available] | low | 0 | 0 | substituted aniline | |
| N-(2-chlorophenyl)-4-(1-pyrrolyl)-1,3,5-triazin-2-amine | [no description available] | low | 0 | 0 | substituted aniline | |
| 1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| sulfathiourea | [no description available] | low | 0 | 0 | substituted aniline;
sulfonamide antibiotic;
thioureas | antibacterial drug;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor |
| u 0126 | [no description available] | low | 0 | 0 | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent |
| 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| ferrostatin-1 | [no description available] | low | 0 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
| 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 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 |
| 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide | [no description available] | low | 0 | 0 | acetamide;
aromatic amine;
monofluorobenzenes;
quinazolines;
secondary amino compound;
substituted aniline | |
| 1-amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 5-(3-chloroanilino)-3H-1,3,4-thiadiazole-2-thione | [no description available] | low | 0 | 0 | substituted aniline | |
| 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| bibx 1382bs | [no description available] | low | 0 | 0 | substituted aniline | |
| solabegron | [no description available] | low | 0 | 0 | carboxybiphenyl;
monochlorobenzenes;
secondary alcohol;
secondary amino compound;
substituted aniline | beta-adrenergic agonist |
| 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] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| cardiogenol c | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| bay94 9172 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline | radioactive imaging agent |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| zm323881 | [no description available] | low | 0 | 0 | aromatic ether;
benzyl ether;
fluorophenol;
halophenol;
monofluorobenzenes;
organic cation;
quinazolines;
secondary amino compound;
substituted aniline | vascular endothelial growth factor receptor antagonist |
| jsh 23 | [no description available] | low | 0 | 0 | diamine;
substituted aniline | NF-kappaB inhibitor |
| 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(4-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-1-butanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| florbetapir f 18 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline | radioactive imaging agent |
| (5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihydroimidazol-2-amine | [no description available] | low | 0 | 0 | substituted aniline | |
| SL-327 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
enamine;
nitrile;
organic sulfide;
primary amino compound;
substituted aniline | EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor;
neuroprotective agent |
| GRL-0617 | [no description available] | low | 0 | 0 | benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline | anticoronaviral agent;
protease inhibitor |
| poziotinib | [no description available] | low | 0 | 0 | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist |
| GDC-0623 | [no description available] | low | 0 | 0 | hydroxamic acid ester;
imidazopyridine;
monofluorobenzenes;
organoiodine compound;
primary alcohol;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor |
| 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 |
| osimertinib | [no description available] | low | 0 | 0 | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| ((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one) | [no description available] | low | 0 | 0 | benzodioxoles;
imidazolone;
substituted aniline | autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent |
| 1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-(4-fluoroanilino)-6-methyl-5-(3-methylbutyl)-1H-pyrimidin-4-one | [no description available] | low | 0 | 0 | substituted aniline | |