| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| alprazolam | [no description available] | medium | 1 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
| amiodarone | [no description available] | medium | 2 | 0 | 1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound | cardiovascular drug |
| amitriptyline | [no description available] | medium | 1 | 0 | carbotricyclic compound;
tertiary amine | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic |
| bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide;
piperidinecarboxamide;
tertiary amino compound | |
| 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 |
| carteolol | [no description available] | medium | 1 | 0 | quinolone;
secondary alcohol | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| chlorzoxazone | [no description available] | medium | 7 | 0 | 1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound | muscle relaxant;
sedative |
| citalopram | [no description available] | medium | 1 | 0 | 2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound | |
| dapsone | [no description available] | medium | 1 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester | anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| fentanyl | [no description available] | medium | 2 | 0 | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
| flunitrazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes | anxiolytic drug;
GABAA receptor agonist;
sedative |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| imipramine | [no description available] | medium | 3 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| omeprazole | [no description available] | medium | 3 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| terfenadine | [no description available] | medium | 2 | 0 | diarylmethane | |
| troglitazone | [no description available] | medium | 2 | 0 | chromanes;
thiazolidinone | anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent |
| venlafaxine | [no description available] | medium | 1 | 0 | cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound | adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic |
| colchicine | [no description available] | medium | 4 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| bromodichloromethane | [no description available] | medium | 1 | 0 | halomethane | environmental contaminant;
reagent |
| erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone;
erythromycin | |
| vinblastine | [no description available] | medium | 4 | 0 | | |
| pimozide | [no description available] | medium | 1 | 0 | benzimidazoles;
heteroarylpiperidine;
organofluorine compound | antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist |
| 1-nitropyrene | [no description available] | medium | 1 | 0 | nitroarene | carcinogenic agent |
| paclitaxel | [no description available] | medium | 5 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
| etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound | antineoplastic agent;
DNA synthesis inhibitor |
| adinazolam | [no description available] | medium | 1 | 0 | triazolobenzodiazepine | anticonvulsant;
antidepressant;
anxiolytic drug;
sedative |
| diltiazem | [no description available] | medium | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
| simvastatin | [no description available] | medium | 1 | 0 | delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug |
| mifepristone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound | abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive |
| zileuton | [no description available] | medium | 2 | 0 | 1-benzothiophenes;
ureas | anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug |
| irinotecan | [no description available] | medium | 1 | 0 | carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug |
| tazofelone | [no description available] | medium | 1 | 0 | | |
| clarithromycin | [no description available] | medium | 3 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic |
| docetaxel | [no description available] | medium | 1 | 0 | hydrate;
secondary alpha-hydroxy ketone | antineoplastic agent |
| taurochenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid taurine conjugate | human metabolite;
mouse metabolite |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| tamoxifen | [no description available] | medium | 1 | 0 | stilbenoid;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator |
| quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial;
muscle relaxant;
non-narcotic analgesic |
| senecionine | [no description available] | medium | 1 | 0 | lactone;
pyrrolizidine alkaloid;
tertiary alcohol | plant metabolite |
| cyclosporine | [no description available] | medium | 1 | 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 |
| sirolimus | [no description available] | medium | 1 | 0 | antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol | antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| onapristone | [no description available] | medium | 1 | 0 | | |
| indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
| zatosetron | [no description available] | medium | 1 | 0 | | |
| k11002 | [no description available] | medium | 1 | 0 | | |
| vindesine | [no description available] | medium | 1 | 0 | | |
| lilopristone | [no description available] | medium | 1 | 0 | | |
| clozapine | [no description available] | medium | 1 | 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 |
| rifabutin | [no description available] | medium | 1 | 0 | | |
| chloroquine diphosphate | [no description available] | medium | 1 | 0 | | |
| coumarin | [no description available] | medium | 11 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| herniarin | [no description available] | medium | 4 | 0 | coumarins | fluorochrome |
| coumarin-3-carboxylic acid | [no description available] | medium | 1 | 0 | coumarins | |
| 7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester | [no description available] | medium | 1 | 0 | coumarins | |
| propranolol | [no description available] | medium | 8 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| vinorelbine | [no description available] | medium | 3 | 0 | acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid | antineoplastic agent;
photosensitizing agent |
| fosbretabulin | [no description available] | medium | 3 | 0 | stilbenoid | |
| mannitol | [no description available] | medium | 2 | 0 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
| 7-hydroxycoumarin | [no description available] | medium | 49 | 0 | hydroxycoumarin | fluorescent probe;
food component;
plant metabolite |
| pexacerfont | [no description available] | medium | 1 | 0 | pyrazolopyridine | |
| carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 1 | 0 | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore |
| celecoxib | [no description available] | medium | 2 | 0 | organofluorine compound;
pyrazoles;
sulfonamide;
toluenes | cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| indomethacin | [no description available] | medium | 1 | 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 |
| cysteine | [no description available] | medium | 1 | 0 | cysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite |
| hyperforin | [no description available] | medium | 1 | 0 | | |
| l 663536 | [no description available] | medium | 1 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| ys 121 | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
| ascorbic acid | [no description available] | medium | 1 | 0 | ascorbic acid;
vitamin C | coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent |
| agelastatin a | [no description available] | medium | 1 | 0 | | |
| fludarabine | [no description available] | medium | 1 | 0 | purine nucleoside | |
| 4-methylumbelliferyl acetate | [no description available] | medium | 1 | 0 | acetate ester;
coumarins | plant metabolite |
| theophylline | [no description available] | medium | 4 | 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 |
| scoparone | [no description available] | medium | 1 | 0 | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite |
| 4-methyl-7-ethoxycoumarin | [no description available] | medium | 3 | 0 | coumarins | |
| 7-methoxy-4-methyl-1-benzopyran-2-one | [no description available] | medium | 1 | 0 | coumarins | |
| 7-acetoxycoumarin | [no description available] | medium | 1 | 0 | | |
| hymecromone | [no description available] | medium | 2 | 0 | hydroxycoumarin | antineoplastic agent;
hyaluronic acid synthesis inhibitor |
| esculetin | [no description available] | medium | 1 | 0 | hydroxycoumarin | antioxidant;
plant metabolite;
ultraviolet filter |
| oxophenylarsine | [no description available] | medium | 1 | 0 | arsine oxides | antineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor |
| warfarin | [no description available] | medium | 279 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| ciprofloxacin | [no description available] | medium | 2 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
| ciprofloxacin-7-ethylenediamine | [no description available] | medium | 1 | 0 | | |
| a 195773 | [no description available] | medium | 1 | 0 | macrolide antibiotic;
monosaccharide derivative;
quinolines | antibacterial drug;
protein synthesis inhibitor |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| hmr 3647 | [no description available] | medium | 2 | 0 | | |
| a-130a | [no description available] | medium | 1 | 0 | | |
| aurapten | [no description available] | medium | 3 | 0 | coumarins;
monoterpenoid | antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary |
| 4'-geranyloxyferulic acid | [no description available] | medium | 1 | 0 | | |
| buparlisib | [no description available] | medium | 1 | 0 | aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| gdc 0941 | [no description available] | medium | 1 | 0 | indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
| gdc 0980 | [no description available] | medium | 1 | 0 | | |
| pki 587 | [no description available] | medium | 1 | 0 | | |
| atenolol | [no description available] | medium | 2 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
| verapamil | [no description available] | medium | 2 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| sulfaphenazole | [no description available] | medium | 3 | 0 | primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor |
| alpha-naphthoflavone | [no description available] | medium | 8 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor |
| talinolol | [no description available] | medium | 1 | 0 | ureas | |
| quinidine | [no description available] | medium | 3 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| ketoconazole | [no description available] | medium | 2 | 0 | cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine | |
| gdc 0449 | [no description available] | medium | 1 | 0 | benzamides;
monochlorobenzenes;
pyridines;
sulfone | antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent |
| diazepam | [no description available] | medium | 8 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| furafylline | [no description available] | medium | 1 | 0 | oxopurine | |
| propantheline bromide | [no description available] | medium | 1 | 0 | xanthenes | |
| tranylcypromine | [no description available] | medium | 1 | 0 | 2-phenylcyclopropan-1-amine | |
| dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic |
| oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| 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 |
| fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| halothane | [no description available] | medium | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
| phenacetin | [no description available] | medium | 8 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| riluzole | [no description available] | medium | 1 | 0 | benzothiazoles | |
| sevoflurane | [no description available] | medium | 1 | 0 | ether;
organofluorine compound | central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor |
| fluoroacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid;
organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
| alanine | [no description available] | medium | 2 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
| trifluoroethanol | [no description available] | medium | 1 | 0 | fluoroalcohol | |
| 1-chloro-2-nitrobenzene | [no description available] | medium | 1 | 0 | C-nitro compound;
monochlorobenzenes | |
| phenetole | [no description available] | medium | 1 | 0 | aromatic ether | |
| 2-chloropyridine | [no description available] | medium | 1 | 0 | monochloropyridine | |
| tetrafluoroethylene | [no description available] | medium | 1 | 0 | fluorocarbon | |
| hexafluoropropene | [no description available] | medium | 1 | 0 | | |
| 2-bromopropionic acid, (dl)-isomer | [no description available] | medium | 1 | 0 | | |
| 2-chloropropionic acid | [no description available] | medium | 1 | 0 | | |
| alpha-fluoro-beta-alanine | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| perfluoroisobutylene | [no description available] | medium | 1 | 0 | | |
| voriconazole | [no description available] | medium | 1 | 0 | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor |
| neplanocin a | [no description available] | medium | 1 | 0 | | |
| fludioxonil | [no description available] | medium | 1 | 0 | benzodioxoles;
nitrile;
organofluorine compound;
pyrroles | androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist |
| 2,6-diamino-9-(2-hydroxyethoxymethyl)purine | [no description available] | medium | 1 | 0 | | |
| pa 824 | [no description available] | medium | 1 | 0 | | |
| 3,3,3-trifluoroalanine | [no description available] | medium | 1 | 0 | | |
| benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
| fluticasone furoate | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
2-furoate ester;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
steroid ester;
thioester | anti-allergic agent;
anti-asthmatic drug;
prodrug |
| 10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone | [no description available] | medium | 1 | 0 | anthracenes | |
| anacetrapib | [no description available] | medium | 1 | 0 | | |
| lumacaftor | [no description available] | medium | 1 | 0 | aromatic amide;
benzodioxoles;
benzoic acids;
cyclopropanes;
organofluorine compound;
pyridines | CFTR potentiator;
orphan drug |
| everolimus | [no description available] | medium | 1 | 0 | cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol | anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor |
| azd2014 | [no description available] | medium | 1 | 0 | | |
| diphenyl | [no description available] | medium | 2 | 0 | aromatic fungicide;
benzenes;
biphenyls | antifungal agrochemical;
antimicrobial food preservative |
| n-methylpyrrolidone | [no description available] | medium | 1 | 0 | lactam;
N-alkylpyrrolidine;
pyrrolidin-2-ones | polar aprotic solvent |
| propofol | [no description available] | medium | 2 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| pentoxyresorufin | [no description available] | medium | 7 | 0 | | |
| 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 |
| azinphosmethyl | [no description available] | medium | 1 | 0 | benzotriazines;
organic thiophosphate;
organothiophosphate insecticide | agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor |
| prizes | [no description available] | medium | 1 | 0 | carboxamidine;
monochloropyridine;
nitrile | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| thiacloprid | [no description available] | medium | 1 | 0 | monochloropyridine;
nitrile;
thiazolidines | environmental contaminant;
neonicotinoid insectide;
xenobiotic |
| 7-methylcoumarin | [no description available] | medium | 1 | 0 | coumarins | |
| 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 |
| urea | [no description available] | medium | 9 | 0 | isourea;
monocarboxylic acid amide;
one-carbon compound | Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 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 |
| prochloraz | [no description available] | medium | 2 | 0 | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
| titanium dioxide | [no description available] | medium | 1 | 0 | titanium oxides | food colouring |
| buspirone | [no description available] | medium | 1 | 0 | azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines | anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist |
| 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 |
| pyrethrins | [no description available] | medium | 1 | 0 | | |
| propiconazole | [no description available] | medium | 1 | 0 | conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| triazoles | [no description available] | medium | 3 | 0 | 1,2,3-triazole | |
| caffeine | [no description available] | medium | 4 | 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 |
| resorcinol | [no description available] | medium | 1 | 0 | benzenediol;
phenolic donor;
resorcinols | erythropoietin inhibitor;
sensitiser |
| deoxyguanosine | [no description available] | medium | 1 | 0 | purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| pentachlorophenol | [no description available] | medium | 1 | 0 | aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes | human xenobiotic metabolite |
| 8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 1 | 0 | guanosines | biomarker |
| beta-naphthoflavone | [no description available] | medium | 19 | 0 | extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound | aryl hydrocarbon receptor agonist |
| pregnenolone carbonitrile | [no description available] | medium | 2 | 0 | aliphatic nitrile | |
| phenobarbital | [no description available] | medium | 23 | 0 | barbiturates | anticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative |
| dimethyl sulfoxide | [no description available] | medium | 2 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| benzo(a)pyrene | [no description available] | medium | 17 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mouse metabolite |
| resorufin | [no description available] | medium | 2 | 0 | phenoxazine | |
| ethoxyresorufin | [no description available] | medium | 25 | 0 | phenoxazine | |
| hesperidin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside | mutagen |
| hesperetin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone | antineoplastic agent;
antioxidant;
plant metabolite |
| indigo carmine | [no description available] | medium | 1 | 0 | | |
| heme | [no description available] | medium | 3 | 0 | | |
| indole | [no description available] | medium | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
| 4-nitrophenol | [no description available] | medium | 11 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
| nitrophenols | [no description available] | medium | 12 | 0 | | |
| metyrapone | [no description available] | medium | 6 | 0 | aromatic ketone | antimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
| tafluprost | [no description available] | medium | 1 | 0 | isopropyl ester;
organofluorine compound;
prostaglandins Falpha | prostaglandin receptor agonist |
| deuterium | [no description available] | medium | 5 | 0 | dihydrogen | |
| 7-ethoxy-4-trifluoromethylcoumarin | [no description available] | medium | 2 | 0 | | |
| safrole | [no description available] | medium | 1 | 0 | benzodioxoles | flavouring agent;
insecticide;
metabolite;
plant metabolite |
| pinocembrin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
dihydroxyflavanone | antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent |
| resazurin | [no description available] | medium | 1 | 0 | phenoxazine | |
| dextromethorphan | [no description available] | medium | 1 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic |
| diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride;
organoammonium salt | anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative |
| xanthenes | [no description available] | medium | 1 | 0 | xanthene | |
| methylphenyl carbinol | [no description available] | medium | 1 | 0 | aromatic alcohol | mouse metabolite |
| mtt formazan | [no description available] | medium | 1 | 0 | | |
| formazans | [no description available] | medium | 1 | 0 | | |
| dinitrochlorobenzene | [no description available] | medium | 5 | 0 | C-nitro compound;
monochlorobenzenes | allergen;
epitope;
sensitiser |
| vilazodone hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | antidepressant;
serotonergic agonist;
serotonin uptake inhibitor |
| benzofurans | [no description available] | medium | 1 | 0 | | |
| lidocaine | [no description available] | medium | 5 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| tretinoin | [no description available] | medium | 3 | 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 |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| farnesol | [no description available] | medium | 1 | 0 | farnesol | plant metabolite |
| naproxen | [no description available] | medium | 1 | 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 |
| tolbutamide | [no description available] | medium | 4 | 0 | N-sulfonylurea | human metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker |
| methoxychlor | [no description available] | medium | 1 | 0 | organochlorine insecticide | |
| ketoconazole | [no description available] | medium | 2 | 0 | dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine | |
| midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound | anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative |
| xanthohumol | [no description available] | medium | 1 | 0 | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite |
| flavanone | [no description available] | medium | 1 | 0 | flavanones | |
| 2-anthramine | [no description available] | medium | 1 | 0 | anthracenamine | |
| 4-nitroanisole | [no description available] | medium | 7 | 0 | 4-nitroanisoles | |
| aniline | [no description available] | medium | 10 | 0 | anilines;
primary arylamine | |
| chlorodiphenyl (54% chlorine) | [no description available] | medium | 2 | 0 | | |
| 3-methylcholanthrene | [no description available] | medium | 11 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist;
carcinogenic agent |
| ranitidine | [no description available] | medium | 1 | 0 | C-nitro compound;
furans;
organic sulfide;
tertiary amino compound | anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic |
| cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
| 1,3-diphenylpropane | [no description available] | medium | 1 | 0 | aromatic compound | |
| propane | [no description available] | medium | 1 | 0 | alkane;
gas molecular entity | food propellant |
| chloroform | [no description available] | medium | 1 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
| phentermine | [no description available] | medium | 1 | 0 | primary amine | adrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent |
| proadifen | [no description available] | medium | 9 | 0 | diarylmethane | |
| nad | [no description available] | medium | 3 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
| nadp | [no description available] | medium | 15 | 0 | | |
| 3,4,5,3',4',5'-hexachlorobiphenyl | [no description available] | medium | 1 | 0 | hexachlorobiphenyl;
trichlorobenzene | |
| aminopyrine | [no description available] | medium | 10 | 0 | pyrazolone;
tertiary amino compound | antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| potassium cyanide | [no description available] | medium | 2 | 0 | cyanide salt;
one-carbon compound;
potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin |
| lysine | [no description available] | medium | 3 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| 1-naphthol | [no description available] | medium | 1 | 0 | naphthol | genotoxin;
human xenobiotic metabolite |
| 2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
| 2,5-diphenyloxazole | [no description available] | medium | 2 | 0 | | |
| oxazoles | [no description available] | medium | 2 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
| benzo(a)pyrene 4,5-epoxide | [no description available] | medium | 1 | 0 | carbopolycyclic compound | |
| 2-iodosobenzoic acid | [no description available] | medium | 1 | 0 | benzoic acids;
organoiodine compound | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor |
| cumene hydroperoxide | [no description available] | medium | 8 | 0 | peroxol | environmental contaminant;
Mycoplasma genitalium metabolite;
oxidising agent |
| chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| xylitol | [no description available] | medium | 1 | 0 | | |
| sorbitol | [no description available] | medium | 1 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
| clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
SMO receptor agonist |
| aldrin | [no description available] | medium | 6 | 0 | | |
| hydrazine | [no description available] | medium | 2 | 0 | azane;
hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
| paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector;
herbicide |
| hexachlorobutadiene | [no description available] | medium | 1 | 0 | organochlorine compound | |
| ampyrone | [no description available] | medium | 1 | 0 | primary amino compound;
pyrazolone | antipyretic;
antirheumatic drug;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
marine xenobiotic metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| 1,3-cyclohexadiene | [no description available] | medium | 1 | 0 | cyclohexadiene | |
| rotenone | [no description available] | medium | 1 | 0 | organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin |
| cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
| 1,3-dimethyluric acid | [no description available] | medium | 1 | 0 | oxopurine | metabolite |
| uric acid | [no description available] | medium | 1 | 0 | uric acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| enoxacin | [no description available] | medium | 1 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| 1-methylxanthine | [no description available] | medium | 1 | 0 | 1-methylxanthine | mouse metabolite |
| phencyclidine | [no description available] | medium | 1 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
| imidocarb | [no description available] | medium | 1 | 0 | ureas | antiprotozoal drug |
| 7-hydroxycoumarin glucuronide | [no description available] | medium | 2 | 0 | beta-D-glucosiduronic acid | |
| ovalbumin | [no description available] | medium | 1 | 0 | | |
| benzphetamine | [no description available] | medium | 5 | 0 | amphetamines;
tertiary amine | adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent |
| glucuronic acid | [no description available] | medium | 2 | 0 | D-glucuronic acid | algal metabolite |
| galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine;
primary amino compound | toxin |
| carbon tetrachloride | [no description available] | medium | 2 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
| acetaminophen | [no description available] | medium | 2 | 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 |
| troleandomycin | [no description available] | medium | 1 | 0 | acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative | EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic |
| ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| naringenin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one;
naringenin | expectorant;
plant metabolite |
| diethyl maleate | [no description available] | medium | 1 | 0 | ethyl ester;
maleate ester | glutathione depleting agent |
| mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent;
antineoplastic agent |
| 7-hydroxy-4-trifluoromethylcoumarin | [no description available] | medium | 1 | 0 | | |
| 1,2-dilauroylphosphatidylcholine | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine(1+) | |
| phosphatidylcholines | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| 1,2-distearoyllecithin | [no description available] | medium | 1 | 0 | | |
| androstenedione | [no description available] | medium | 4 | 0 | 17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid | androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite |
| ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
| 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 |
| lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
| bilirubin | [no description available] | medium | 1 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |
| edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| dimethylnitrosamine | [no description available] | medium | 2 | 0 | nitrosamine | geroprotector;
mutagen |
| fadrozole | [no description available] | medium | 1 | 0 | imidazopyridine | |
| androst-4-ene-3,6,17-trione | [no description available] | medium | 1 | 0 | | |
| agaritine | [no description available] | medium | 1 | 0 | amino acid zwitterion;
benzyl alcohols;
carbohydrazide;
L-glutamic acid derivative;
non-proteinogenic L-alpha-amino acid | |
| allyl formate | [no description available] | medium | 1 | 0 | | |
| allyl alcohol | [no description available] | medium | 2 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
| 1-propanol | [no description available] | medium | 3 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
| potassium phosphate | [no description available] | medium | 1 | 0 | inorganic phosphate salt;
inorganic potassium salt | |
| glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope;
mouse metabolite |
| chlormezanone | [no description available] | medium | 1 | 0 | 1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone | antipsychotic agent;
anxiolytic drug;
muscle relaxant |
| ethylmorphine | [no description available] | medium | 4 | 0 | morphinane alkaloid | |
| mequitazine | [no description available] | medium | 1 | 0 | phenothiazines | |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| 4-nitrosodimethylaniline | [no description available] | medium | 1 | 0 | dimethylaniline;
nitroso compound;
tertiary amino compound | |
| phenyl-n-tert-butylnitrone | [no description available] | medium | 1 | 0 | | |
| buthionine sulfoximine | [no description available] | medium | 1 | 0 | diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
| fomepizole | [no description available] | medium | 2 | 0 | pyrazoles | antidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent |
| isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
| 1-aminobenzotriazole | [no description available] | medium | 1 | 0 | | |
| potassium chloride | [no description available] | medium | 1 | 0 | inorganic chloride;
inorganic potassium salt;
potassium salt | fertilizer |
| bufuralol | [no description available] | medium | 1 | 0 | benzofurans | |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| cholecalciferol | [no description available] | medium | 1 | 0 | D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone | geroprotector;
human metabolite |
| lauric acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid;
straight-chain saturated fatty acid | algal metabolite;
antibacterial agent;
plant metabolite |
| arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid | Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite |
| salmeterol xinafoate | [no description available] | medium | 1 | 0 | naphthoic acid | |
| albuterol | [no description available] | medium | 1 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| clenbuterol | [no description available] | medium | 1 | 0 | amino alcohol;
dichlorobenzene;
ethanolamines;
primary arylamine;
secondary amino compound;
substituted aniline | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
| hexacyanoferrate iii | [no description available] | medium | 1 | 0 | | |
| chlortoluron | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenylureas | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| vitamin k semiquinone radical | [no description available] | medium | 1 | 0 | | |
| retinol | [no description available] | medium | 1 | 0 | retinol;
vitamin A | human metabolite;
mouse metabolite;
plant metabolite |
| retinol palmitate | [no description available] | medium | 1 | 0 | all-trans-retinyl ester;
retinyl palmitate | antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite |
| sodium azide | [no description available] | medium | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
| beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative;
cyclic carotene | antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A |
| singlet oxygen | [no description available] | medium | 1 | 0 | chalcogen;
monoatomic oxygen;
nonmetal atom | macronutrient |
| triacetoneamine-n-oxyl | [no description available] | medium | 1 | 0 | aminoxyls;
piperidones | radical scavenger |
| tempidon | [no description available] | medium | 1 | 0 | piperidones | |
| 2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam;
piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
| hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
| isoproterenol | [no description available] | medium | 1 | 0 | catechols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent |
| morphine | [no description available] | medium | 1 | 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 |
| alamethicin | [no description available] | medium | 2 | 0 | | |
| sodium iodide | [no description available] | medium | 1 | 0 | inorganic sodium salt;
iodide salt | |
| xylose | [no description available] | medium | 1 | 0 | D-xylose | |
| cholic acid | [no description available] | medium | 1 | 0 | 12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid | human metabolite;
mouse metabolite |
| methanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
| glycerol | [no description available] | medium | 1 | 0 | alditol;
triol | algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent |
| 6-hydroxychlorzoxazone | [no description available] | medium | 1 | 0 | benzoxazole | |
| emd 53998 | [no description available] | medium | 1 | 0 | | |
| phenolsulfonphthalein | [no description available] | medium | 1 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone | acid-base indicator;
diagnostic agent;
two-colour indicator |
| dicumarol | [no description available] | medium | 1 | 0 | hydroxycoumarin | anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist |
| flavin-adenine dinucleotide | [no description available] | medium | 2 | 0 | flavin adenine dinucleotide;
vitamin B2 | cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group |
| nitrites | [no description available] | medium | 2 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | human metabolite |
| isosorbide dinitrate | [no description available] | medium | 1 | 0 | glucitol derivative;
nitrate ester | nitric oxide donor;
vasodilator agent |
| nitroglycerin | [no description available] | medium | 1 | 0 | nitroglycerol | explosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic |
| noc 7 | [no description available] | medium | 1 | 0 | | |
| nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | |
| uridine diphosphate glucuronic acid | [no description available] | medium | 1 | 0 | UDP-D-glucuronic acid | Escherichia coli metabolite;
human metabolite;
mouse metabolite |
| lysophosphatidylcholines | [no description available] | medium | 1 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid | Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical |
| flavin mononucleotide | [no description available] | medium | 1 | 0 | | |
| glycogen | [no description available] | medium | 1 | 0 | | |
| acetic anhydride | [no description available] | medium | 1 | 0 | acyclic carboxylic anhydride | metabolite;
reagent |
| indocyanine green | [no description available] | medium | 1 | 0 | 1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye | |
| dipyrone | [no description available] | medium | 1 | 0 | organic sodium salt | anti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug |
| 2-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | hepatotoxic agent;
metabolite |
| 4-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | insecticide |
| 1,3-dichlorobenzene | [no description available] | medium | 2 | 0 | dichlorobenzene | |
| tetcyclacis | [no description available] | medium | 1 | 0 | | |
| lithocholic acid | [no description available] | medium | 1 | 0 | bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid | geroprotector;
human metabolite;
mouse metabolite |
| estrone | [no description available] | medium | 2 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| styrene oxide | [no description available] | medium | 1 | 0 | epoxide | human xenobiotic metabolite |
| sulfamethazine | [no description available] | medium | 1 | 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 |
| furazolidone | [no description available] | medium | 1 | 0 | nitrofuran antibiotic;
oxazolidines | antibacterial drug;
antiinfective agent;
antitrichomonal drug;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| cyanides | [no description available] | medium | 1 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
| amitrole | [no description available] | medium | 1 | 0 | aromatic amine;
triazoles | carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide |
| pyrazines | [no description available] | medium | 1 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
| ethinyl estradiol | [no description available] | medium | 1 | 0 | 17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound | xenoestrogen |
| terbinafine | [no description available] | medium | 1 | 0 | acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine | EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor |
| methyl n-butyl ketone | [no description available] | medium | 1 | 0 | ketone | |
| 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 |
| stanozolol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol | anabolic agent;
androgen |
| spermine | [no description available] | medium | 1 | 0 | polyazaalkane;
tetramine | antioxidant;
fundamental metabolite;
immunosuppressive agent |
| parathion | [no description available] | medium | 1 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
| spermidine | [no description available] | medium | 1 | 0 | polyazaalkane;
triamine | autophagy inducer;
fundamental metabolite;
geroprotector |
| putrescine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | antioxidant;
fundamental metabolite |
| benz(a)anthracene | [no description available] | medium | 2 | 0 | ortho-fused polycyclic arene;
tetraphenes | |
| nonoxynol | [no description available] | medium | 1 | 0 | | |
| benzo(e)pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent;
mutagen |
| methylamine | [no description available] | medium | 1 | 0 | methylamines;
one-carbon compound;
primary aliphatic amine | mouse metabolite |
| ethyl acetimidate | [no description available] | medium | 1 | 0 | | |
| butylated hydroxytoluene | [no description available] | medium | 1 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| diisopropyl 1,3-dithiol-2-ylidenemalonate | [no description available] | medium | 1 | 0 | isopropyl ester | |
| ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt;
inorganic sulfate salt | fertilizer |
| benzene | [no description available] | medium | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| pyridine | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
| precocene ii | [no description available] | medium | 1 | 0 | chromenes | precocenes |
| toluene | [no description available] | medium | 1 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
| hempa | [no description available] | medium | 1 | 0 | phosphoramide | insect sterilant;
mutagen |
| chlormethiazole | [no description available] | medium | 1 | 0 | thiazoles | |
| 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 |
| carbon monoxide | [no description available] | medium | 2 | 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 |
| 2,6-dihydroxyanthraquinone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | antimutagen;
plant metabolite |
| 2-butanol | [no description available] | medium | 1 | 0 | secondary alcohol | |
| pyrazole | [no description available] | medium | 1 | 0 | pyrazole | |
| sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent;
protein denaturant |
| 1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
| cortisol 21-mesylate | [no description available] | medium | 1 | 0 | | |
| n,n'-diphenyl-4-phenylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine;
secondary amino compound | antioxidant |
| carmustine | [no description available] | medium | 1 | 0 | N-nitrosoureas;
organochlorine compound | alkylating agent;
antineoplastic agent |
| deferoxamine | [no description available] | medium | 1 | 0 | acyclic desferrioxamine | bacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore |
| hydroxyphenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione;
phenols | metabolite |
| nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| cyclopropylbenzene | [no description available] | medium | 1 | 0 | | |
| triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine | human metabolite;
mouse metabolite;
thyroid hormone |
| 5,7-dimethoxycoumarin | [no description available] | low | 0 | 0 | coumarins | |
| 6-methylcoumarin | [no description available] | low | 0 | 0 | coumarins | allergen;
fragrance |
| osthol | [no description available] | low | 0 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| cyclocumarol | [no description available] | low | 0 | 0 | coumarins | |
| chromonar | [no description available] | low | 0 | 0 | coumarins | |
| xanthyletine | [no description available] | low | 0 | 0 | coumarins | |
| xanthoxyletin | [no description available] | low | 0 | 0 | coumarins | metabolite |
| seselin | [no description available] | low | 0 | 0 | coumarins | metabolite |
| suberosin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anticoagulant;
plant metabolite |
| cloricromen | [no description available] | low | 0 | 0 | coumarins | |
| 3-acetylcoumarin | [no description available] | low | 0 | 0 | coumarins | |
| 4-methylumbelliferyl sulfate | [no description available] | low | 0 | 0 | aryl sulfate;
coumarins | human xenobiotic metabolite |
| 4-methylumbelliferyl butyrate | [no description available] | low | 0 | 0 | butyrate ester;
coumarins | chromogenic compound |
| 7-(diethylamino)-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 4-methylumbelliferyl glucuronide | [no description available] | low | 0 | 0 | beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative | antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor |
| 4-methylumbelliferyl-galactopyranoside | [no description available] | low | 0 | 0 | beta-D-galactoside;
coumarins;
monosaccharide derivative | chromogenic compound |
| skimmin | [no description available] | low | 0 | 0 | coumarins;
glycoside | |
| n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide | [no description available] | low | 0 | 0 | benzenes;
coumarins;
maleimides;
tertiary amino compound | fluorescent dye |
| 4-methylumbelliferylcellobioside | [no description available] | low | 0 | 0 | coumarins;
glycoside | |
| N-(2-oxo-1-benzopyran-3-yl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| bucumolol | [no description available] | low | 0 | 0 | coumarins | |
| 3-chloro-7-methoxy-4-methyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| khellactone | [no description available] | low | 0 | 0 | coumarins | |
| dentatin | [no description available] | low | 0 | 0 | coumarins | metabolite |
| rosiglitazone | [no description available] | low | 0 | 0 | acetate ester;
coumarins;
diester | pro-angiogenic agent;
radical scavenger |
| 5,7-dimethoxy-4-methyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| scopolin | [no description available] | low | 0 | 0 | beta-D-glucoside;
coumarins;
monosaccharide derivative | plant metabolite |
| decursin | [no description available] | low | 0 | 0 | coumarins | |
| visnadin | [no description available] | low | 0 | 0 | coumarins | |
| glycyrin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
plant metabolite |
| 6-methyl-4-(morpholinomethyl)-2H-chromen-2-one | [no description available] | low | 0 | 0 | coumarins | |
| lomatin | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-N,N-dimethylacetamide | [no description available] | low | 0 | 0 | coumarins | |
| 2-oxo-N-(2-pyridinylmethyl)-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 8-methoxy-N-(6-methyl-2-pyridinyl)-2-oxo-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]propanoic acid | [no description available] | low | 0 | 0 | coumarins | |
| 4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid | [no description available] | low | 0 | 0 | coumarins | |
| 3-[4,8-dimethyl-2-oxo-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-3-yl]propanoic acid ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 3,4,7-trimethyl-5-(3-oxobutan-2-yloxy)-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 4,9-dimethyl-3-(2H-tetrazol-5-ylmethoxy)-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one | [no description available] | low | 0 | 0 | coumarins | |
| 4-[(4-ethyl-1-piperazinyl)methyl]-5,7-dimethyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 7-[(3,5-dimethyl-4-isoxazolyl)methoxy]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 7-(diethylamino)-2-oxo-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | coumarins | |
| 2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester | [no description available] | low | 0 | 0 | coumarins;
isopropyl ester | |
| 5-methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 6-methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| (4-Methyl-2-oxochromen-7-yl) furan-2-carboxylate | [no description available] | low | 0 | 0 | coumarins | anticoronaviral agent |
| 2-furancarboxylic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester | [no description available] | low | 0 | 0 | coumarins | |
| N-(4-amino-2-oxo-1-benzopyran-3-yl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-(8-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| (4-Ethyl-2-oxochromen-7-yl) furan-2-carboxylate | [no description available] | low | 0 | 0 | coumarins | anticoronaviral agent |
| 5-(3,3-dimethyl-2-oxobutoxy)-4-ethyl-7-methyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 7-methoxy-4,8-dimethyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 8-chloro-7-propan-2-yloxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(3-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea | [no description available] | low | 0 | 0 | coumarins | |
| 8-methoxy-N-methyl-2-oxo-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 4-methyl-6-[2-(4-methyl-1-piperidinyl)-2-oxoethoxy]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-8-methoxy-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one | [no description available] | low | 0 | 0 | coumarins | |
| 3-[2-(4-aminoanilino)-4-thiazolyl]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-[oxo-[4-(2-phenylethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 6-bromo-N-[2-(dimethylamino)ethyl]-2-oxo-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 5-methyl-4-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | low | 0 | 0 | coumarins | |
| 5-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxymethyl]-2-furancarboxylic acid methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 4-methyl-3-(phenylmethyl)-7-[(3,4,5-trimethoxyphenyl)methoxy]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 5-(3,3-dimethyl-2-oxobutoxy)-3,4,7-trimethyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| Methyl 7-methoxycoumarin-4-acetate | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetic acid butyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 4-(4-methylphenyl)-2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid | [no description available] | low | 0 | 0 | coumarins | |
| 6-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one | [no description available] | low | 0 | 0 | coumarins | |
| 3-methoxy-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]benzamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-acetyl-7-methoxycoumarin | [no description available] | low | 0 | 0 | coumarins | |
| acetic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 4-(2,3-dihydroindol-1-ylmethyl)-7-ethyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 1-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 1-(2-hydroxyethyl)-4-[1]benzopyrano[3,4-d]triazolone | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(2-pyridinylmethyl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| N-cyclohexyl-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-bromo-N-(4-methyl-2-oxo-1-benzopyran-7-yl)benzamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester | [no description available] | low | 0 | 0 | coumarins | |
| aflatoxin g2 | [no description available] | low | 0 | 0 | coumarins | |
| 4-methylumbelliferyl glucoside | [no description available] | low | 0 | 0 | beta-D-glucoside;
coumarins;
monosaccharide derivative | chromogenic compound |
| 6,8-difluoro-4-methylumbelliferyl phosphate | [no description available] | low | 0 | 0 | coumarins | |
| 2,3-dihydro-2,3-dihydroxyaflatoxin b(1) | [no description available] | low | 0 | 0 | coumarins | |
| 6,7,8-trimethoxycoumarin | [no description available] | low | 0 | 0 | coumarins | |
| 3-O-Acetylepisamarcandin | [no description available] | low | 0 | 0 | coumarins | |
| conferone | [no description available] | low | 0 | 0 | coumarins | |
| 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| N-[2-(1-cyclohexenyl)ethyl]-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 3-pyridinecarboxylic acid 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| N-(3-methoxypropyl)-2-(4-oxo-1-[1]benzopyrano[4,3-c]pyrazolyl)acetamide | [no description available] | low | 0 | 0 | coumarins | |
| 7-[[5-(4-methoxyphenyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-4-methyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins;
thienopyrimidine | |
| N-(2-oxo-1-benzopyran-3-yl)cyclohexanecarboxamide | [no description available] | low | 0 | 0 | coumarins | |
| 4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester | [no description available] | low | 0 | 0 | coumarins | |
| Meranzin hydrate | [no description available] | low | 0 | 0 | coumarins | |
| N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-oxo-1-benzopyran-3-carboxamide | [no description available] | low | 0 | 0 | coumarins | |
| capillarisin | [no description available] | low | 0 | 0 | coumarins | |
| pteryxin | [no description available] | low | 0 | 0 | coumarins | |
| 4-[1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | coumarins | |
| glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
resorcinols | antispasmodic drug;
plant metabolite |
| phebalosin | [no description available] | low | 0 | 0 | coumarins | |
| urolithin b | [no description available] | low | 0 | 0 | coumarins | |
| 7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one | [no description available] | low | 0 | 0 | coumarins | |
| 3,8-dihydroxy-6h-dibenzo(b,d)pyran-6-one | [no description available] | low | 0 | 0 | coumarins | geroprotector |
| N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-8-methyl-4-oxo-2-thieno[3,2-c][1]benzopyrancarboxamide | [no description available] | low | 0 | 0 | coumarins | |
| N-ethyl-8-methyl-4-oxo-N-(phenylmethyl)-2-thieno[3,2-c][1]benzopyrancarboxamide | [no description available] | low | 0 | 0 | coumarins | |
| trichodermamide a | [no description available] | low | 0 | 0 | coumarins | |
| 3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[[6-methoxy-2-oxo-3-[(2-oxo-1-benzopyran-7-yl)oxy]-1-benzopyran-7-yl]oxy]-2-oxanyl]methoxy]pentanoic acid | [no description available] | low | 0 | 0 | coumarins;
glycoside | |
| auraptenol | [no description available] | low | 0 | 0 | coumarins | |
| foetidin | [no description available] | low | 0 | 0 | coumarins | |
| ro5126766 | [no description available] | low | 0 | 0 | aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides | antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| 8-[1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 5,7-dimethoxy-4-methyl-8-[3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| 8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
pyrrolidines;
tertiary amino compound | |
| 8-[3-(diethylamino)-1-(4-methoxyphenyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one | [no description available] | low | 0 | 0 | coumarins | |
| coumermycin | [no description available] | low | 0 | 0 | aromatic amide;
coumarins;
glycoside;
heteroarenecarboxylate ester;
pyrroles | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
DNA synthesis inhibitor;
Hsp90 inhibitor;
topoisomerase IV inhibitor |
| urolithin c | [no description available] | low | 0 | 0 | coumarins | |
| quinacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound | antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor |
| vanilmandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite |
| 4-(2,4-dichlorophenoxy)butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound | agrochemical;
phenoxy herbicide;
synthetic auxin |
| win 52035 | [no description available] | low | 0 | 0 | aromatic ether | |
| win 52084 | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(nonyloxy)tryptamine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
tryptamines | serotonergic agonist |
| methylbufotenin | [no description available] | low | 0 | 0 | aromatic ether;
tertiary amino compound;
tryptamine alkaloid | hallucinogen;
plant metabolite |
| 5-methoxytryptamine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
tryptamines | 5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist |
| ro 48-8071 | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
bromobenzenes;
monofluorobenzenes;
olefinic compound;
tertiary amino compound | antineoplastic agent;
EC 5.4.99.7 (lanosterol synthase) inhibitor |
| rtki cpd | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
quinazolines | antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector |
| amsacrine | [no description available] | low | 0 | 0 | acridines;
aromatic ether;
sulfonamide | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 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 |
| 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
cyclic hydroxamic acid;
lactol | allelochemical;
plant metabolite |
| bufetolol | [no description available] | low | 0 | 0 | aromatic ether | |
| bufexamac | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| bunitrolol | [no description available] | low | 0 | 0 | aromatic ether | |
| bupranolol | [no description available] | low | 0 | 0 | aromatic ether | |
| cgp 12177 | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| ciglitazone | [no description available] | low | 0 | 0 | aromatic ether;
thiazolidinone | antineoplastic agent;
insulin-sensitizing drug |
| cirazoline | [no description available] | low | 0 | 0 | aromatic ether | |
| clofibrate | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist |
| clofibric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist |
| colchicine, (+-)-isomer | [no description available] | low | 0 | 0 | acetamides;
alkaloid;
aromatic ether;
carbotricyclic compound | microtubule-destabilising agent;
plant metabolite |
| croconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
imidazole antifungal drug;
monochlorobenzenes | |
| cypermethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound | agrochemical;
molluscicide;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| racemethorphan | [no description available] | low | 0 | 0 | aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound | |
| dibucaine | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
tertiary amino compound | topical anaesthetic |
| dilacor xr | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzothiazepine;
lactam;
tertiary amino compound | |
| domiphen | [no description available] | low | 0 | 0 | aromatic ether | |
| donepezil | [no description available] | low | 0 | 0 | aromatic ether;
indanones;
piperidines;
racemate | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent |
| epirizole | [no description available] | low | 0 | 0 | aromatic ether | |
| ethacrynic acid | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic |
| ethoxyquin | [no description available] | low | 0 | 0 | aromatic ether;
quinolines | antifungal agrochemical;
food antioxidant;
genotoxin;
geroprotector;
herbicide;
Hsp90 inhibitor;
neuroprotective agent;
UDP-glucuronosyltransferase activator |
| ethoxzolamide | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
sulfonamide | antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| 2-hexyloxybenzamide | [no description available] | low | 0 | 0 | aromatic ether;
benzamides | antifungal agent |
| carbonyl cyanide p-trifluoromethoxyphenylhydrazone | [no description available] | low | 0 | 0 | aromatic ether;
hydrazone;
nitrile;
organofluorine compound | ATP synthase inhibitor;
geroprotector;
ionophore |
| fenofibrate | [no description available] | low | 0 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| fenvalerate | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
monochlorobenzenes | pyrethroid ester acaricide;
pyrethroid ester insecticide |
| flecainide | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines | anti-arrhythmia drug |
| gallamine triethiodide | [no description available] | low | 0 | 0 | aromatic ether | |
| gemfibrozil | [no description available] | low | 0 | 0 | aromatic ether | antilipemic drug |
| haloprogin | [no description available] | low | 0 | 0 | aromatic ether | |
| ly 171883 | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| mephenesin | [no description available] | low | 0 | 0 | aromatic ether;
glycerol ether | |
| methocarbamol | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| methoctramine | [no description available] | low | 0 | 0 | aromatic ether;
tetramine | muscarinic antagonist |
| methoxsalen | [no description available] | low | 0 | 0 | aromatic ether;
psoralens | antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite |
| metoprolol | [no description available] | low | 0 | 0 | aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound | antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic |
| mexiletine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound | anti-arrhythmia drug |
| midodrine | [no description available] | low | 0 | 0 | amino acid amide;
aromatic ether;
secondary alcohol | alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent |
| clorgyline | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
terminal acetylenic compound;
tertiary amino compound | antidepressant;
EC 1.4.3.4 (monoamine oxidase) inhibitor |
| nefazodone | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles | alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor |
| nimesulide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| nisoxetine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound | adrenergic uptake inhibitor;
antidepressant |
| n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
sulfonamide | antineoplastic agent;
cyclooxygenase 2 inhibitor |
| oxprenolol | [no description available] | low | 0 | 0 | aromatic ether | |
| pantoprazole | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide | anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic |
| pd 153035 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| pentamidine | [no description available] | low | 0 | 0 | aromatic ether;
carboxamidine;
diether | anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic |
| pioglitazone | [no description available] | low | 0 | 0 | aromatic ether;
pyridines;
thiazolidinediones | antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic |
| piretanide | [no description available] | low | 0 | 0 | aromatic ether | |
| pramoxine | [no description available] | low | 0 | 0 | aromatic ether;
morpholines | local anaesthetic |
| prazosin | [no description available] | low | 0 | 0 | aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines | alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| primaquine | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
N-substituted diamine | antimalarial |
| proglumetacin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| propoxur | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
| pyrilamine | [no description available] | low | 0 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
| sulfadimethoxine | [no description available] | low | 0 | 0 | aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide | antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic |
| tetrahydropapaverine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound | |
| tilorone | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound | anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist |
| ultram | [no description available] | low | 0 | 0 | aromatic ether;
tertiary alcohol;
tertiary amino compound | |
| triclosan | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols | antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic |
| viloxazine | [no description available] | low | 0 | 0 | aromatic ether | |
| wb 4101 | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
secondary amino compound | alpha-adrenergic antagonist |
| 3,3',5-triiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| methacetin | [no description available] | low | 0 | 0 | acetamides;
aromatic ether | |
| mestranol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound | prodrug;
xenoestrogen |
| visnagin | [no description available] | low | 0 | 0 | aromatic ether;
furanochromone;
polyketide | anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent |
| 2-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| mecoprop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | |
| phenetidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 2-methyl-4-chlorophenoxy gamma-butyric acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | environmental contaminant;
phenoxy herbicide;
xenobiotic |
| 4-bromophenyl phenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| di-(4-aminophenyl)ether | [no description available] | low | 0 | 0 | aromatic ether | |
| phenyl ether | [no description available] | low | 0 | 0 | aromatic ether | plant metabolite |
| diglycidyl resorcinol ether | [no description available] | low | 0 | 0 | aromatic ether | |
| dimethoxyphenylethylamine | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
phenylethylamine | allergen;
plant metabolite |
| dichlorprop | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
monocarboxylic acid | |
| 3-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | antioxidant;
human xenobiotic metabolite |
| ethyl vanillin | [no description available] | low | 0 | 0 | aromatic ether;
benzaldehydes;
phenols | antioxidant;
flavouring agent |
| benzethonium chloride | [no description available] | low | 0 | 0 | aromatic ether;
chloride salt;
quaternary ammonium salt | antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant |
| peucedanin | [no description available] | low | 0 | 0 | aromatic ether;
furanocoumarin;
lactone | plant metabolite |
| phenetidine | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
substituted aniline | drug metabolite |
| 6-methoxybenzoxazolinone | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazole | antibacterial agent;
anticonvulsant;
antifungal agent;
muscle relaxant;
plant metabolite |
| 3-anisidine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| domiphen bromide | [no description available] | low | 0 | 0 | aromatic ether | |
| dibrompropamidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-Ethoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
oxacycle;
phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite |
| benzydamine | [no description available] | low | 0 | 0 | aromatic ether;
indazoles;
tertiary amino compound | analgesic;
central nervous system stimulant;
hallucinogen;
local anaesthetic;
non-steroidal anti-inflammatory drug |
| xylocholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-methoxycatechol | [no description available] | low | 0 | 0 | aromatic ether;
catechols | G-protein-coupled receptor agonist |
| 2-phenoxypropanoic acid | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid | |
| 6-methoxyquinoline | [no description available] | low | 0 | 0 | aromatic ether;
quinolines | |
| metaxalone | [no description available] | low | 0 | 0 | aromatic ether | |
| heliamine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
isoquinoline alkaloid;
isoquinolines | plant metabolite |
| 2,4,6-trichlorophenyl 4-nitrophenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
chlorobenzenes | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| etridiazol | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
thiadiazole antifungal agent;
thiadiazoles | antifungal agrochemical;
nitrification inhibitor |
| toliprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| 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 |
| iproclozide | [no description available] | low | 0 | 0 | aromatic ether | |
| phenoxyacetic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant |
| nafenopin | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid | |
| methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
| 5-methoxyindole-2-carboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxylic acid | EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor;
hypoglycemic agent;
plant metabolite |
| 2-isopropoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| dehydroemetine | [no description available] | low | 0 | 0 | aromatic ether;
isoquinolines;
pyridoisoquinoline | antileishmanial agent;
antimalarial;
antiprotozoal drug |
| 1,2-epoxy-3-(p-nitrophenoxy)propane | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
epoxide | |
| laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
phenols | HIV-1 integrase inhibitor;
metabolite |
| metocurine iodide | [no description available] | low | 0 | 0 | aromatic ether | |
| ac 45594 | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-phenoxybenzylalcohol | [no description available] | low | 0 | 0 | aromatic ether;
benzyl alcohols | marine xenobiotic metabolite |
| devrinol | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
naphthalenes | |
| fluorodifen | [no description available] | low | 0 | 0 | aromatic ether | |
| acridine half-mustard | [no description available] | low | 0 | 0 | aminoacridines;
aromatic ether;
organochlorine compound;
secondary amino compound | mutagen |
| precocene i | [no description available] | low | 0 | 0 | aromatic ether;
chromenes | plant metabolite;
precocenes |
| oxadiazon | [no description available] | low | 0 | 0 | aromatic ether | |
| lofexidine | [no description available] | low | 0 | 0 | aromatic ether;
carboxamidine;
dichlorobenzene;
imidazoles | alpha-adrenergic agonist;
antihypertensive agent |
| alclofenac | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
monochlorobenzenes | drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| phenylglycidyl ether | [no description available] | low | 0 | 0 | aromatic ether | |
| phenoxyethanol | [no description available] | low | 0 | 0 | aromatic ether;
glycol ether;
primary alcohol | antiinfective agent;
central nervous system depressant |
| metipranolol | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
propanolamine;
secondary amino compound | anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist |
| silybin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | antineoplastic agent;
antioxidant;
hepatoprotective agent;
plant metabolite |
| oxamethacin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
N-acylindole;
organochlorine compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| canadine | [no description available] | low | 0 | 0 | aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle | |
| medifoxamine | [no description available] | low | 0 | 0 | aromatic ether | |
| chlormethoxynil | [no description available] | low | 0 | 0 | aromatic ether | |
| climbazole | [no description available] | low | 0 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
| 4-hexyloxyaniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| ticrynafen | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes | antihypertensive agent;
hepatotoxic agent;
loop diuretic |
| 2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid | |
| bezafibrate | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
| oxyfluorofen | [no description available] | low | 0 | 0 | aromatic ether | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| triadimefon | [no description available] | low | 0 | 0 | aromatic ether;
hemiaminal ether;
ketone;
monochlorobenzenes;
triazoles | |
| levobunolol | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
propanolamine | antiglaucoma drug;
beta-adrenergic antagonist |
| dichlorfop-methyl | [no description available] | low | 0 | 0 | aromatic ether;
dichlorobenzene;
diether;
methyl ester | |
| decamethrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organobromine compound | agrochemical;
antifeedant;
calcium channel agonist;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
pyrethroid ester insecticide |
| triadimenol | [no description available] | low | 0 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
| triclopyr | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monocarboxylic acid | agrochemical;
environmental contaminant;
herbicide;
xenobiotic |
| prenalterol | [no description available] | low | 0 | 0 | aromatic ether | |
| st 1059 | [no description available] | low | 0 | 0 | aromatic ether;
primary amino compound;
secondary alcohol | alpha-adrenergic agonist;
sympathomimetic agent;
vasoconstrictor agent |
| paroxetine | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines | antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor |
| acifluorfen | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| bopindolol | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
methylindole;
secondary amino compound | |
| fenpropathrin, (+-)-isomer | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| triflumuron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | |
| flutolanil | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
benzanilide fungicide | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| fenoxaprop ethyl | [no description available] | low | 0 | 0 | aromatic ether | |
| triclabendazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound | environmental contaminant;
herbicide;
xenobiotic |
| fluvalinate | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
nitrile;
organochlorine acaricide;
organochlorine insecticide;
organofluorine acaricide;
organofluorine insecticide | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| haloxyfop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | |
| fluazifop-butyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines | |
| fomesafen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| fenoxycarb | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester | environmental contaminant;
insecticide;
juvenile hormone mimic;
xenobiotic |
| quizalofop-ethyl | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
organochlorine compound;
quinoxaline derivative | |
| cetamolol | [no description available] | low | 0 | 0 | aromatic ether | |
| atomoxetine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound;
toluenes | adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic |
| methyl bensulfuron | [no description available] | low | 0 | 0 | aromatic ether;
methyl ester;
N-sulfonylurea;
pyrimidines | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| itraconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor |
| loxtidine | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
primary alcohol;
triazoles | H2-receptor antagonist |
| disoxaril | [no description available] | low | 0 | 0 | aromatic ether | |
| chlorimuron ethyl | [no description available] | low | 0 | 0 | aromatic ether;
ethyl ester;
N-sulfonylurea;
organochlorine pesticide;
pyrimidines;
sulfamoylbenzoate | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| tepoxalin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
monochlorobenzenes;
pyrazoles | antipyretic;
apoptosis inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
immunomodulator;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| esmolol | [no description available] | low | 0 | 0 | aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound | |
| pioglitazone hydrochloride | [no description available] | low | 0 | 0 | aromatic ether | |
| aripiprazole | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
| sulfametrole | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline;
sulfonamide antibiotic;
thiadiazoles | |
| propamidine | [no description available] | low | 0 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
| hexamidine | [no description available] | low | 0 | 0 | aromatic ether;
guanidines;
polyether | antimicrobial agent;
antiseptic drug |
| o-4-methylthymine | [no description available] | low | 0 | 0 | aromatic ether;
methylthymine | human metabolite |
| fenclofenac | [no description available] | low | 0 | 0 | aromatic ether | |
| tetraiodothyroacetic acid | [no description available] | low | 0 | 0 | 2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid | apoptosis inducer;
human metabolite;
thyroid hormone |
| fluazuron | [no description available] | low | 0 | 0 | aromatic ether;
chloropyridine;
monochlorobenzenes;
N-acylurea;
organochlorine acaricide;
organofluorine acaricide;
phenylureas | acaricide;
mite growth regulator |
| etiroxate | [no description available] | low | 0 | 0 | aromatic ether | |
| etofamide | [no description available] | low | 0 | 0 | aromatic ether | |
| d 888 | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
tertiary amino compound | anti-arrhythmia drug;
calcium channel blocker;
vasodilator agent |
| esreboxetine | [no description available] | low | 0 | 0 | aromatic ether | |
| guaethol | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
| spiramide | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
serotonergic antagonist |
| 5'-nitro-2'-propoxyacetanilide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols | estrogen;
human metabolite;
rat metabolite |
| toltrazuril | [no description available] | low | 0 | 0 | aromatic ether | |
| plafibride | [no description available] | low | 0 | 0 | aromatic ether | |
| cinitapride | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| isoscopoletin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | plant metabolite |
| ethofenprox | [no description available] | low | 0 | 0 | aromatic ether | pyrethroid ether insecticide |
| uk 68798 | [no description available] | low | 0 | 0 | aromatic ether;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
potassium channel blocker |
| hp 873 | [no description available] | low | 0 | 0 | 1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound | dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist |
| fenoxypropazine | [no description available] | low | 0 | 0 | aromatic ether | |
| fluphenacur | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organofluorine compound | |
| amezinium | [no description available] | low | 0 | 0 | aromatic ether;
primary arylamine;
pyridazinium ion | adrenergic uptake inhibitor;
antihypotensive agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
sympathomimetic agent |
| rubrofusarin | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite |
| triasulfuron | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
N-sulfonylurea;
organochlorine compound | agrochemical;
herbicide |
| dauricine | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| uvaretin | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyketide;
resorcinol | antineoplastic agent;
plant metabolite |
| fangchinoline | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite |
| stictic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| pramoxine hydrochloride | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-methoxybenzylamine | [no description available] | low | 0 | 0 | aralkylamino compound;
aromatic ether;
primary amino compound | |
| xanthurenic acid 8-methyl ether | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid | carcinogenic agent;
metabolite;
mouse metabolite |
| adriamycinol | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones | cardiotoxic agent;
drug metabolite |
| difenoconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole fungicide;
cyclic ketal;
dioxolane;
triazole fungicide;
triazoles | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| a 8947 | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
N-sulfonylurea;
pyrazole pesticide;
tetrazoles | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| thifluzamide | [no description available] | low | 0 | 0 | 1,3-thiazoles;
anilide fungicide;
aromatic amide;
aromatic ether;
dibromobenzene;
organofluorine compound | antifungal agrochemical;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| ethylhydrocupreine | [no description available] | low | 0 | 0 | aromatic ether;
cinchona alkaloid | EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
| 7,8-dihydromethysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 4,5-dimethoxy-2-nitrobenzaldehyde | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| bisphenol f diglycidyl ether | [no description available] | low | 0 | 0 | aromatic ether;
diarylmethane;
epoxide | |
| oryzemate | [no description available] | low | 0 | 0 | 1,2-benzisothiazole;
aromatic ether;
benzothiazole fungicide;
sulfone | antifungal agrochemical;
plant activator |
| bitertanol | [no description available] | low | 0 | 0 | aromatic ether;
biphenyls;
secondary alcohol;
triazoles | |
| fluazifop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines | |
| diflufenican | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
pyridinecarboxamide | carotenoid biosynthesis inhibitor;
environmental contaminant;
herbicide;
xenobiotic |
| hexafluoron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
N-acylurea;
organochlorine insecticide;
organofluorine insecticide | |
| diethofencarb | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide | antifungal agrochemical |
| pyriproxyfen | [no description available] | low | 0 | 0 | aromatic ether;
pyridines | juvenile hormone mimic |
| methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
diamino-1,3,5-triazine;
methyl ester;
N-sulfonylurea | EC 2.2.1.6 (acetolactate synthase) inhibitor;
herbicide |
| dpx e9636 | [no description available] | low | 0 | 0 | aromatic ether;
N-sulfonylurea;
pyridines;
pyrimidines;
sulfone | environmental contaminant;
herbicide;
xenobiotic |
| 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 |
| cinosulfuron | [no description available] | low | 0 | 0 | aromatic ether | |
| clodinafop-propargyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines | agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide |
| triflusulfuron-methyl | [no description available] | low | 0 | 0 | 1,3,5-triazines;
aromatic ether;
benzoate ester;
methyl ester;
N-sulfonylurea;
organofluorine compound;
tertiary amino compound | agrochemical;
EC 2.2.1.6 (acetolactate synthase) inhibitor;
proherbicide |
| vestitol | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | anti-inflammatory agent;
phytoalexin;
plant metabolite |
| laudanine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate | |
| cryptopleurine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | antineoplastic agent;
antiviral agent;
protein synthesis inhibitor |
| 6-hydroxymethylmexiletine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-hydroxymexiletine | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| cloquintocet-mexyl | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines | |
| novaluron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
monochlorobenzenes;
organofluorine compound | |
| bursehernin | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan | plant metabolite |
| 2,2',4,4'-tetrabromodiphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| allocryptopine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound | |
| sporidesmin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | mycotoxin;
Wnt signalling activator |
| syringaresinol | [no description available] | low | 0 | 0 | aromatic ether;
furofuran;
lignan;
polyether;
polyphenol | plant metabolite |
| p-methoxy-n-methylphenethylamine | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound | metabolite |
| aflatoxin q1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human xenobiotic metabolite |
| u 73122 | [no description available] | low | 0 | 0 | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
| cyfluthrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester insecticide |
| norverapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
secondary amino compound | |
| fumitremorgin a | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | mycotoxin |
| deguelin | [no description available] | low | 0 | 0 | aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite |
| 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 |
| tephrosin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones | antineoplastic agent;
metabolite;
pesticide |
| alpha-hydroxymetoprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(tetradecyloxy)-2-furancarboxylic acid | [no description available] | low | 0 | 0 | aromatic ether;
furoic acid | antineoplastic agent;
apoptosis inducer;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
PPARalpha agonist |
| tafenoquine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aminoquinoline;
aromatic ether;
primary amino compound;
secondary amino compound | |
| 5-hydroxymethylomeprazole | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | drug metabolite |
| mosapride | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound | |
| ym 12617 | [no description available] | low | 0 | 0 | aromatic ether;
secondary amino compound;
sulfonamide | |
| gefitinib | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| cgp 28392 | [no description available] | low | 0 | 0 | aromatic ether | |
| sodium-binding benzofuran isophthalate | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
crown compound;
tetracarboxylic acid | fluorochrome |
| garenoxacin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
isoindoles;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic | antibacterial drug;
non-steroidal anti-inflammatory drug |
| ay 25545 | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| reboxetine | [no description available] | low | 0 | 0 | aromatic ether | |
| b 823-08 | [no description available] | low | 0 | 0 | aromatic ether | |
| cyclazosin | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative | adenosine A2A receptor antagonist |
| ivabradine | [no description available] | low | 0 | 0 | aromatic ether;
benzazepine;
carbobicyclic compound;
tertiary amino compound | cardiotonic drug |
| febuxostat | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
| marsupsin | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
polyphenol | antilipemic drug;
hypoglycemic agent;
metabolite |
| 6,6'-bieckol | [no description available] | low | 0 | 0 | aromatic ether;
oxacycle;
phlorotannin | anti-HIV-1 agent;
metabolite;
radical scavenger |
| xibenolol | [no description available] | low | 0 | 0 | aromatic ether | |
| cicloprolol | [no description available] | low | 0 | 0 | aromatic ether | |
| chs 828 | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-methoxyphenoxy)propanoic acid | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid | |
| moxifloxacin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug |
| rp 73401 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide | anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor |
| 2,2',4,4',5,5'-hexabrominated diphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| varespladib | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor |
| birb 796 | [no description available] | low | 0 | 0 | aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas | EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator |
| schizandrin b | [no description available] | low | 0 | 0 | aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin | anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite |
| s 23121 | [no description available] | low | 0 | 0 | aromatic ether;
dicarboximide;
monochlorobenzenes;
monofluorobenzenes;
pyrroline;
terminal acetylenic compound | |
| acrovestone | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
olefinic compound;
polyphenol | antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite |
| corytuberine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heterotetracyclic compound;
polyphenol;
tertiary amino compound | plant metabolite |
| actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor |
| isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
phenylacetic acids | metabolite |
| 3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | |
| 7,8-dihydro-5,6-dehydrokawain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 4-amino-2-methoxypyrimidine | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
methylcytosine | metabolite |
| 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 |
| myricanone | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| pannarin | [no description available] | low | 0 | 0 | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite |
| aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
guanidines;
nitrile;
piperidines;
substituted aniline | H2-receptor antagonist |
| 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 |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| erysodine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols | antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide |
| erlotinib | [no description available] | low | 0 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| rubrofusarin B | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite |
| ly 293111 | [no description available] | low | 0 | 0 | aromatic ether | |
| enrasentan | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol | antihypertensive agent;
endothelin receptor antagonist |
| quizalofop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative | |
| cyhalofop-butyl | [no description available] | low | 0 | 0 | aromatic ether | |
| cyperin | [no description available] | low | 0 | 0 | aromatic ether | |
| aflatoxin b1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone | carcinogenic agent;
human metabolite |
| etravirine | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor |
| 5-o-methyllicoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| pronuciferine | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound | plant metabolite |
| famoxadone | [no description available] | low | 0 | 0 | aromatic ether;
carbohydrazide;
oxazolidinone | |
| cimicoxib | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
organochlorine compound;
organofluorine compound;
sulfonamide | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| sorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide | angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor |
| dabuzalgron | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
monochlorobenzenes;
sulfonamide | alpha-adrenergic agonist |
| fonsecin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite |
| lasofoxifene | [no description available] | low | 0 | 0 | aromatic ether;
N-alkylpyrrolidine;
naphthols;
tetralins | antineoplastic agent;
bone density conservation agent;
cardioprotective agent;
estrogen receptor agonist;
estrogen receptor antagonist |
| (+-)-Dihydromethysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| 2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| chondocurine (1beta)-(+-)-isomer | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-methyl-4-prop-2-enoxy-2-pyrimidinone | [no description available] | low | 0 | 0 | aromatic ether;
pyrimidone | |
| noscapine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound | antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite |
| 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| lariciresinol | [no description available] | low | 0 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| tryptoquivaline | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heteropentacyclic compound | breast cancer resistance protein inhibitor;
mycotoxin |
| 2-methoxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols | human metabolite;
mouse metabolite |
| win 54954 | [no description available] | low | 0 | 0 | aromatic ether | |
| silychristin | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
flavonolignan;
polyphenol;
secondary alpha-hydroxy ketone | lipoxygenase inhibitor;
metabolite;
prostaglandin antagonist;
radical scavenger |
| cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol | anti-inflammatory agent;
metabolite |
| bispyribac | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines | herbicide |
| petunidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation;
aromatic ether;
beta-D-glucoside | antioxidant;
metabolite |
| malvidin-3-glucoside | [no description available] | low | 0 | 0 | anthocyanin cation;
aromatic ether;
beta-D-glucoside | metabolite |
| dioncophylline c | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes;
naphthols | antimalarial;
antiplasmodial drug;
metabolite |
| stigmatellin | [no description available] | low | 0 | 0 | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor |
| roflumilast | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor |
| teniposide | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| prinomastat | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor |
| posaconazole | [no description available] | low | 0 | 0 | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug |
| gancaonin I | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
plant metabolite |
| glyasperin D | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | plant metabolite |
| licoricidin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxyisoflavans;
methoxyisoflavan | antibacterial agent;
plant metabolite |
| egonol | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
benzodioxoles;
primary alcohol | plant metabolite |
| N-ethylharmine | [no description available] | low | 0 | 0 | aromatic ether;
beta-carbolines;
semisynthetic derivative | anti-HIV agent |
| pf 1163a | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
macrolide antibiotic;
secondary alcohol | antifungal agent;
Penicillium metabolite |
| pf 1163b | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
macrolide antibiotic | antifungal agent;
Penicillium metabolite |
| licocoumarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
resorcinols | antibacterial agent;
apoptosis inducer;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| LSM-22807 | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| 5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one | [no description available] | low | 0 | 0 | aromatic ether | |
| antofine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound | angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite |
| 2-phenoxy-N-(2-pyridinyl)butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| (1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | aromatic ether;
triazolothiadiazole | |
| 4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| [4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-phenylmethoxyphenyl)thiadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-cyclopentyl-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| curcumin | [no description available] | low | 0 | 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 |
| 1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 1-cyclopentyl-3-(2-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| Src Inhibitor-1 | [no description available] | low | 0 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-butyl-3-(4-phenoxyphenyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-butyl-4-phenoxy-1-butanamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine | [no description available] | low | 0 | 0 | aromatic ether | |
| N4-(2-methoxyphenyl)benzene-1,4-diamine | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3-fluorophenoxy)-8-nitroisoquinoline | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate | [no description available] | low | 0 | 0 | aromatic ether | |
| N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-aminophenoxy)isophthalonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(3-ethoxyphenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| toremifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| dieckol | [no description available] | low | 0 | 0 | aromatic ether;
oxacycle;
phlorotannin | anticoagulant;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
metabolite;
radical scavenger |
| 2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine | [no description available] | low | 0 | 0 | aromatic ether | |
| naproxol | [no description available] | low | 0 | 0 | aromatic ether | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| tamoxifen n-oxide | [no description available] | low | 0 | 0 | aromatic ether;
tertiary amine oxide | anti-estrogen;
metabolite |
| diafenthiuron | [no description available] | low | 0 | 0 | aromatic ether;
thiourea acaricide;
thiourea insecticide | oxidative phosphorylation inhibitor;
proinsecticide |
| ospemifene | [no description available] | low | 0 | 0 | aromatic ether;
organochlorine compound;
primary alcohol | anti-inflammatory agent;
antineoplastic agent;
estrogen receptor modulator |
| tandutinib | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| zd 6474 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
| adefovir | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol | antimalarial;
Aspergillus metabolite;
marine metabolite |
| 3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether;
pyranopyrazole | |
| 1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| quinoxyfen | [no description available] | low | 0 | 0 | aromatic ether;
monofluorobenzenes;
organochlorine compound;
quinolines | antifungal agrochemical |
| nafadotride | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenecarboxamide;
nitrile;
pyrrolidines;
tertiary amino compound | dopaminergic antagonist |
| 1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| 2-methyl-1,3-bis(phenylmethoxy)benzene | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[4-(2-chlorophenoxy)butyl]imidazole | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
monochlorobenzenes | |
| N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound | |
| N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| hydroxypioglitazone | [no description available] | low | 0 | 0 | aromatic ether;
pyridines;
thiazolidinediones | human xenobiotic metabolite |
| sc 560 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug |
| sc-19220 | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile | [no description available] | low | 0 | 0 | aromatic ether;
substituted aniline | |
| N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol | [no description available] | low | 0 | 0 | aromatic ether | |
| 3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene | [no description available] | low | 0 | 0 | aromatic ether | |
| fraxin | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
hydroxycoumarin | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| fraxetin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | anti-inflammatory agent;
antibacterial agent;
antimicrobial agent;
antioxidant;
apoptosis inducer;
apoptosis inhibitor;
Arabidopsis thaliana metabolite;
hepatoprotective agent;
hypoglycemic agent |
| 5,6-dehydrokawain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| jtk-303 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor |
| coniferin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamyl alcohol beta-D-glucoside;
monosaccharide derivative | plant metabolite |
| daphnoretin | [no description available] | low | 0 | 0 | aromatic ether;
hydroxycoumarin | antineoplastic agent;
antiviral agent;
metabolite |
| kavain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| methysticin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| yangonin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| hinokiflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | antineoplastic agent;
metabolite;
neuroprotective agent |
| gentiacaulein | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| gentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| isogentisin | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite |
| mangostin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| 1,8-dihydroxy-3,7-dimethoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | plant metabolite |
| swerchirin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | hypoglycemic agent;
metabolite |
| 1,2,8-trihydroxy-6-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antioxidant;
plant metabolite |
| wedelolactone | [no description available] | low | 0 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite |
| cyhalothrin | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanecarboxylate ester;
nitrile;
organochlorine compound;
organofluorine compound | agrochemical;
pyrethroid ester acaricide;
pyrethroid ester insecticide |
| sofalcone | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
monocarboxylic acid | anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite |
| neticonazole | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| pibutidine | [no description available] | low | 0 | 0 | aromatic ether;
cyclobutenones;
olefinic compound;
piperidines;
primary amino compound;
pyridines;
secondary amino compound | anti-ulcer drug;
H2-receptor antagonist |
| purmorphamine | [no description available] | low | 0 | 0 | aromatic ether;
morpholines;
purines;
secondary amino compound | osteogenesis regulator;
SMO receptor agonist |
| 8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile | [no description available] | low | 0 | 0 | aromatic ether | |
| ro 41-5253 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
sulfone;
thiochromane | apoptosis inducer;
retinoic acid receptor alpha antagonist |
| isoginkgetin | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite |
| neoglycyrol | [no description available] | low | 0 | 0 | aromatic ether;
coumestans;
delta-lactone;
polyphenol | antineoplastic agent;
plant metabolite |
| rhamnazin | [no description available] | low | 0 | 0 | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| bosutinib | [no description available] | low | 0 | 0 | aminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| bw b70c | [no description available] | low | 0 | 0 | aromatic ether;
hydroxamic acid;
organofluorine compound;
ureas | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| lichexanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| alternariol monomethyl ether | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone | antifungal agent;
fungal metabolite;
mycotoxin |
| decussatin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| bedaquiline | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound | antitubercular agent;
ATP synthase inhibitor |
| dimethomorph | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
monochlorobenzenes;
morpholine fungicide;
tertiary carboxamide | |
| benanomicin b | [no description available] | low | 0 | 0 | aromatic ether;
disaccharide derivative;
L-alanine derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | |
| pradimicin b | [no description available] | low | 0 | 0 | aromatic ether;
L-alanine derivative;
monosaccharide derivative;
polyketide;
polyphenol;
pradimicin;
secondary alcohol | |
| 1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite |
| pradimicin a | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic acid;
disaccharide derivative;
L-alanine derivative;
p-quinones;
polyphenol;
pradimicin;
secondary alcohol | |
| clodinafop | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines | EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide |
| ici 118551 | [no description available] | low | 0 | 0 | aromatic ether;
indanes;
secondary alcohol;
secondary amino compound | beta-adrenergic antagonist |
| ochnaflavone | [no description available] | low | 0 | 0 | aromatic ether;
biflavonoid;
hydroxyflavone | anti-inflammatory agent;
antiatherogenic agent;
antibacterial agent;
EC 3.1.1.4 (phospholipase A2) inhibitor;
leukotriene antagonist;
plant metabolite |
| 3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide | [no description available] | low | 0 | 0 | aromatic ether | |
| flavasperone | [no description available] | low | 0 | 0 | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite |
| 4-hydroxycordoin | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-inflammatory agent;
antibacterial agent;
plant metabolite |
| n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite |
| tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist |
| kresoxim-methyl | [no description available] | low | 0 | 0 | aromatic ether;
methoxyiminoacetate strobilurin antifungal agent;
methyl ester;
oxime O-ether | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| 5-methoxy-3,6-diphenyl-1,2,4-triazine | [no description available] | low | 0 | 0 | aromatic ether | |
| pyrachlostrobin | [no description available] | low | 0 | 0 | aromatic ether;
carbamate ester;
carbanilate fungicide;
methoxycarbanilate strobilurin antifungal agent;
monochlorobenzenes;
pyrazoles | antifungal agrochemical;
environmental contaminant;
mitochondrial cytochrome-bc1 complex inhibitor;
xenobiotic |
| piericidin a | [no description available] | low | 0 | 0 | aromatic ether;
methylpyridines;
monohydroxypyridine;
secondary allylic alcohol | antimicrobial agent;
bacterial metabolite;
EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor;
mitochondrial respiratory-chain inhibitor |
| metrafenone | [no description available] | low | 0 | 0 | aromatic ether;
aryl phenyl ketone fungicide;
benzophenones;
organobromine compound | antifungal agrochemical |
| 2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monocarboxylic acid amide;
monofluorobenzenes | |
| b 43 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker |
| 5-ia-85380 | [no description available] | low | 0 | 0 | aromatic ether | |
| yunaconitine | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound | antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic |
| ru 58668 | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
organofluorine compound;
sulfone | anti-estrogen;
antineoplastic agent;
estrogen receptor antagonist |
| altenusin | [no description available] | low | 0 | 0 | aromatic ether;
carboxybiphenyl;
catechols;
hydroxybiphenyls;
polyphenol | antifungal agent;
fungal 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 |
| bay 58-2667 | [no description available] | low | 0 | 0 | aromatic ether;
benzoic acids;
dicarboxylic acid;
tertiary amino compound | antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent |
| camostat | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| lenvatinib | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist |
| nsc 716970 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
indolecarboxamide;
organochlorine compound | antineoplastic agent |
| lobeglitazone | [no description available] | low | 0 | 0 | aromatic ether | |
| noviflumuron | [no description available] | low | 0 | 0 | aromatic ether;
benzoylurea insecticide;
dichlorobenzene;
organofluorine compound | |
| etomoxir | [no description available] | low | 0 | 0 | aromatic ether | |
| fr 148083 | [no description available] | low | 0 | 0 | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor |
| 9-methoxycanthin-6-one | [no description available] | low | 0 | 0 | aromatic ether;
indole alkaloid;
organic heterotetracyclic compound | antineoplastic agent;
antiplasmodial drug;
metabolite |
| sb 3ct compound | [no description available] | low | 0 | 0 | aromatic ether | |
| varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug |
| dapagliflozin | [no description available] | low | 0 | 0 | aromatic ether;
C-glycosyl compound;
monochlorobenzenes | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| naveglitazar | [no description available] | low | 0 | 0 | aromatic ether | |
| tivozanib | [no description available] | low | 0 | 0 | aromatic ether | |
| zm 447439 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
morpholines;
polyether;
quinazolines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
Aurora kinase inhibitor |
| ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin |
| hypothemycin | [no description available] | low | 0 | 0 | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite |
| tryprostatin a | [no description available] | low | 0 | 0 | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor |
| cediranib | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-iodothyronamine | [no description available] | low | 0 | 0 | aromatic ether | |
| n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride | [no description available] | low | 0 | 0 | aromatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound | antipsychotic agent;
receptor modulator |
| rubraxanthone | [no description available] | low | 0 | 0 | aromatic ether;
polyphenol;
xanthones | antibacterial agent;
antineoplastic agent;
metabolite |
| 7,8-Dihydroyangonin | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| sch 51344 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
primary alcohol;
pyrazoloquinoline;
secondary amino compound | antineoplastic agent |
| ancistroealaine a | [no description available] | low | 0 | 0 | aromatic ether;
biaryl;
isoquinoline alkaloid;
isoquinolines;
methoxynaphthalene;
methylnaphthalenes | antileishmanial agent;
antiplasmodial drug;
metabolite;
trypanocidal drug |
| pimavanserin | [no description available] | low | 0 | 0 | aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas | 5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist |
| tolfenpyrad | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
organochlorine compound;
pyrazole insecticide | agrochemical;
antifungal agent;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor |
| SIS3 free base | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide | Smad3 inhibitor |
| apixaban | [no description available] | low | 0 | 0 | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| bibw 2992 | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
tyrosine kinase inhibitor |
| dihydrokavain | [no description available] | low | 0 | 0 | 2-pyranones;
aromatic ether | |
| troglitazone sulfate | [no description available] | low | 0 | 0 | aromatic ether;
thiazolidinone | |
| arisugacin | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol | antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite |
| saracatinib | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent |
| fonsecinone a | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol | antibacterial agent;
Aspergillus metabolite |
| crenolanib | [no description available] | low | 0 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| aiphanol | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxine;
lignan;
stilbenoid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| nigerloxin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes | antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger |
| msdc-0160 | [no description available] | low | 0 | 0 | aromatic ether | |
| dihydroxanthohumol | [no description available] | low | 0 | 0 | aromatic ether;
dihydrochalcones;
polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
| PB28 | [no description available] | low | 0 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| 7-phloroeckol | [no description available] | low | 0 | 0 | aromatic ether;
phlorotannin | antioxidant;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
metabolite |
| 3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside | [no description available] | low | 0 | 0 | aromatic ether;
benzyl alcohols;
beta-D-glucoside;
monosaccharide derivative;
primary alcohol | antineoplastic agent;
metabolite |
| PDGF receptor tyrosine kinase inhibitor III | [no description available] | low | 0 | 0 | aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| fluoxastrobin | [no description available] | low | 0 | 0 | aromatic ether;
dioxazine;
monochlorobenzenes;
organofluorine compound;
oxime O-ether;
pyrimidines;
strobilurin antifungal agent | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| flumorph | [no description available] | low | 0 | 0 | aromatic ether;
enamide;
morpholines;
organofluorine compound;
tertiary carboxamide | |
| regorafenib | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
| erastin | [no description available] | low | 0 | 0 | aromatic ether;
diether;
monochlorobenzenes;
N-acylpiperazine;
N-alkylpiperazine;
quinazolines;
tertiary carboxamide | antineoplastic agent;
ferroptosis inducer;
voltage-dependent anion channel inhibitor |
| brivanib | [no description available] | low | 0 | 0 | aromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist |
| fg-4592 | [no description available] | low | 0 | 0 | aromatic ether;
isoquinolines;
N-acylglycine | EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor;
EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor |
| picoxystrobin | [no description available] | low | 0 | 0 | aromatic ether;
enoate ester;
enol ether;
methoxyacrylate strobilurin antifungal agent;
organofluorine compound;
pyridines | antifungal agrochemical;
mitochondrial cytochrome-bc1 complex inhibitor |
| cenicriviroc | [no description available] | low | 0 | 0 | aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide | anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist |
| mandipropamid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid amide;
monochlorobenzenes;
terminal acetylenic compound | |
| glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter |
| ki 8751 | [no description available] | low | 0 | 0 | aromatic ether | |
| ceratamine a | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine | antimitotic;
metabolite |
| azd 8931 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist |
| bay94 9172 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
polyether;
secondary amino compound;
stilbenoid;
substituted aniline | radioactive imaging agent |
| olodaterol | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| dorsomorphin | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines | bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor |
| cj-042794 | [no description available] | low | 0 | 0 | aromatic ether | |
| hu 308 | [no description available] | low | 0 | 0 | aromatic ether;
bridged compound;
carbobicyclic compound;
primary allylic alcohol;
synthetic cannabinoid | anti-inflammatory agent;
antihypertensive agent;
apoptosis inhibitor;
bone density conservation agent;
CB2 receptor agonist |
| ki11502 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
quinolines;
thioureas | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| apremilast | [no description available] | low | 0 | 0 | aromatic ether;
N-acetylarylamine;
phthalimides;
sulfone | non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor |
| PF-00835231 | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxamide;
L-leucine derivative;
primary alcohol;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
drug metabolite;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor |
| 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
dichlorobenzene;
organofluorine compound;
pyrazolylpiperidine;
racemate | antineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| chir-265 | [no description available] | low | 0 | 0 | aromatic ether | |
| aminocandin | [no description available] | low | 0 | 0 | aromatic ether;
echinocandin;
homodetic cyclic peptide | antiinfective agent |
| zk 756326 | [no description available] | low | 0 | 0 | aromatic ether | |
| bay 60-6583 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
aryl sulfide;
cyanopyridine;
cyclopropanes;
monocarboxylic acid amide | adenosine A2B receptor agonist;
anti-inflammatory agent;
cardioprotective agent |
| empagliflozin | [no description available] | low | 0 | 0 | aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether | hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor |
| 4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| bgt226 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| n-desmethylrosiglitazone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| verruculogen | [no description available] | low | 0 | 0 | aromatic ether;
diol;
indole alkaloid;
organic heterohexacyclic compound;
organic peroxide | Aspergillus metabolite;
GABA modulator;
mycotoxin;
Penicillium metabolite;
potassium channel blocker |
| 1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite |
| 2,2',4,5'-tetrabromodiphenyl ether | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| hexabromodiphenyl ether 154 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| bde 183 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound | |
| l-798106 | [no description available] | low | 0 | 0 | aromatic ether;
bromobenzenes;
N-sulfonylcarboxamide | prostaglandin receptor antagonist |
| aflatoxin m1 | [no description available] | low | 0 | 0 | aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol | Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite |
| macitentan | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
pyrimidines;
ring assembly;
sulfamides | antihypertensive agent;
endothelin receptor antagonist;
orphan drug |
| CDN1163 | [no description available] | low | 0 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
| e 7050 | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| dafadine C | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
difluorobenzene;
isoxazoles;
N-acylpiperidine;
pyridines | P450 inhibitor |
| dafadine B | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
monochlorobenzenes;
monofluorobenzenes;
N-acylpiperidine;
pyridines | P450 inhibitor |
| 3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide | [no description available] | low | 0 | 0 | aromatic ether | |
| violaceol II | [no description available] | low | 0 | 0 | aromatic ether;
catechols;
resorcinols | mycotoxin |
| pamapimod | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
difluorobenzene;
diol;
primary alcohol;
pyridopyrimidine;
secondary amino compound | antirheumatic drug;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| gsk690693 | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| cnf 2024 | [no description available] | low | 0 | 0 | 2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines | antineoplastic agent;
Hsp90 inhibitor |
| uk 453,061 | [no description available] | low | 0 | 0 | aromatic ether | |
| 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 |
| compound w | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| interiotherin b | [no description available] | low | 0 | 0 | aromatic ether;
fatty acid ester;
lignan;
organic heteropentacyclic compound;
oxacycle | anti-HIV agent;
metabolite |
| 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one | [no description available] | low | 0 | 0 | aromatic ether;
homoisoflavonoid;
polyphenol | angiogenesis modulating agent;
plant metabolite |
| ph 797804 | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| diorcinol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
| 2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| 2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | aromatic ether | |
| mk 5108 | [no description available] | low | 0 | 0 | aromatic ether | |
| 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 |
| 1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone | [no description available] | low | 0 | 0 | aromatic ether | |
| 4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines | geroprotector;
P450 inhibitor |
| dafadine D | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
organofluorine compound;
pyridines | P450 inhibitor |
| 1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| dafadine O | [no description available] | low | 0 | 0 | aromatic amide;
aromatic ether;
isoxazoles;
N-acylpiperidine;
pyridines;
ring assembly | P450 inhibitor |
| 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| pci 32765 | [no description available] | low | 0 | 0 | acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| florbetapir f 18 | [no description available] | low | 0 | 0 | (18)F radiopharmaceutical;
aromatic ether;
organofluorine compound;
pyridines;
substituted aniline | radioactive imaging agent |
| AMG-208 | [no description available] | low | 0 | 0 | aromatic ether;
quinolines;
triazolopyridazine | antineoplastic agent;
c-Met tyrosine kinase inhibitor |
| 6-methoxyspirotryprostatin b | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
indole alkaloid;
indolones | antineoplastic agent;
Aspergillus metabolite |
| lucitanib | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines | antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist |
| act-132577 | [no description available] | low | 0 | 0 | aromatic ether;
organobromine compound;
pyrimidines;
sulfamides | antihypertensive agent;
drug metabolite;
endothelin receptor antagonist;
xenobiotic metabolite |
| cabozantinib | [no description available] | low | 0 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
| poziotinib | [no description available] | low | 0 | 0 | acrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline | antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist |
| gsk 2126458 | [no description available] | low | 0 | 0 | aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide | anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent |
| gsk 1363089 | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| 3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea | [no description available] | low | 0 | 0 | aromatic ether | |
| N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide | [no description available] | low | 0 | 0 | aromatic ether | |
| 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea | [no description available] | low | 0 | 0 | aromatic ether | |
| monepantel | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
aryl sulfide;
nitrile;
secondary carboxamide | anthelminthic drug;
nematicide |
| an2728 | [no description available] | low | 0 | 0 | aromatic ether;
benzoxaborole;
nitrile | antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor |
| grazoprevir | [no description available] | low | 0 | 0 | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent |
| hordatine a | [no description available] | low | 0 | 0 | aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols | adrenergic antagonist;
metabolite |
| 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone | [no description available] | low | 0 | 0 | aromatic ether | |
| tak-632 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor |
| lrrk2-in1 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| quinolobactin | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore |
| AZD1979 | [no description available] | low | 0 | 0 | aromatic ether;
azaspiro compound;
carboxamide;
N-acylazetidine;
oxadiazole;
oxaspiro compound;
oxetanes | melanin-concentrating hormone receptor antagonist |
| ML240 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent |
| aripiprazole lauroxil | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
dodecanoate ester;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | H1-receptor antagonist;
prodrug;
second generation antipsychotic;
serotonergic agonist |
| abt-199 | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
| xl765 | [no description available] | low | 0 | 0 | aromatic amine;
aromatic ether;
benzamides;
quinoxaline derivative;
sulfonamide | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| DMH1 | [no description available] | low | 0 | 0 | aromatic ether;
pyrazolopyrimidine;
quinolines | antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor |
| 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide | [no description available] | low | 0 | 0 | aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes | |
| pf 4800567 | [no description available] | low | 0 | 0 | aromatic ether;
monochlorobenzenes;
oxanes;
pyrazolopyrimidine | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| propenylphosphonic acid | [no description available] | low | 0 | 0 | aromatic ether | |
| abt-333 | [no description available] | low | 0 | 0 | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor |
| naloxegol | [no description available] | low | 0 | 0 | aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol | cathartic;
mu-opioid receptor antagonist |
| ceritinib | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| MK-8353 | [no description available] | low | 0 | 0 | aromatic ether;
dihydropyridine;
indazoles;
methyl sulfide;
N-alkylpyrrolidine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| HG-10-102-01 | [no description available] | low | 0 | 0 | aminopyrimidine;
aromatic ether;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
secondary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide | [no description available] | low | 0 | 0 | aromatic ether | |
| saroglitazar | [no description available] | low | 0 | 0 | aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles | hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist |
| fertaric acid | [no description available] | low | 0 | 0 | aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative | |
| 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles | |
| pf-06463922 | [no description available] | low | 0 | 0 | aminopyridine;
aromatic ether;
azamacrocycle;
benzamides;
cyclic ether;
monofluorobenzenes;
nitrile;
organic heterotetracyclic compound;
pyrazoles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| DDR1-IN-1 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
benzamides;
N-alkylpiperazine;
oxindoles;
secondary carboxamide | EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| ldc4297 | [no description available] | low | 0 | 0 | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| MLI-2 | [no description available] | low | 0 | 0 | aromatic ether;
cyclopropanes;
indazoles;
morpholines;
pyrimidines;
tertiary amino compound | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| ap20187 | [no description available] | low | 0 | 0 | aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound | ligand |
| biliatresone | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin |
| tak 491 | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane | angiotensin receptor antagonist;
antihypertensive agent;
prodrug |
| azilsartan | [no description available] | low | 0 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent |
| hydrazinocurcumin | [no description available] | low | 0 | 0 | aromatic ether;
olefinic compound;
polyphenol;
pyrazoles | angiogenesis modulating agent;
antineoplastic agent;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| mirodenafil | [no description available] | low | 0 | 0 | aromatic ether;
N-alkylpiperazine;
primary alcohol;
pyrrolopyrimidine;
sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent |
| cerulomycin | [no description available] | low | 0 | 0 | aldoxime;
aromatic ether;
bipyridines;
pyridine alkaloid | antineoplastic agent;
bacterial metabolite;
marine metabolite |
| undecylprodigiosin | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
tripyrrole | antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
biological pigment;
immunosuppressive agent;
radiosensitizing agent |
| sb-590885 | [no description available] | low | 0 | 0 | aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound | |
| 2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one | [no description available] | low | 0 | 0 | aromatic ether | |
| PF-07304814 | [no description available] | low | 0 | 0 | aromatic ether;
indolecarboxamide;
L-leucine derivative;
phosphate monoester;
pyrrolidin-2-ones;
secondary carboxamide | anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
prodrug |