| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| indoxam | [no description available] | medium | 2 | 0 | | |
| fpl 67047xx | [no description available] | medium | 1 | 0 | | |
| tolcapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
benzophenones;
catechols | antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| amg531 | [no description available] | medium | 1 | 0 | | |
| 3-octylthio-1,1,1-trifluoro-2-propanone | [no description available] | medium | 1 | 0 | | |
| pk 11195 | [no description available] | medium | 1 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
| ro 5-4864 | [no description available] | medium | 1 | 0 | | |
| clonazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
monochlorobenzenes | anticonvulsant;
anxiolytic drug;
GABA modulator |
| diazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
| phenyl acetate | [no description available] | medium | 55 | 0 | benzenes;
phenyl acetates | |
| phenyl acetate | [no description available] | medium | 55 | 9 | benzenes;
phenyl acetates | |
| varespladib methyl | [no description available] | high | 4 | 0 | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug |
| varespladib methyl | [no description available] | high | 4 | 1 | aromatic ether;
benzenes;
indoles;
methyl ester;
primary carboxamide | anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor;
prodrug |
| marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| prinomastat | [no description available] | medium | 1 | 0 | aromatic ether;
hydroxamic acid;
pyridines;
sulfonamide;
thiomorpholines | antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
matrix metalloproteinase inhibitor |
| crotamine | [no description available] | medium | 1 | 0 | | |
| tetrachloroisophthalonitrile | [no description available] | medium | 1 | 1 | aromatic fungicide;
dinitrile;
tetrachlorobenzene | antifungal agrochemical |
| thromboplastin | [no description available] | medium | 1 | 0 | | |
| pyrroles | [no description available] | medium | 3 | 3 | pyrrole;
secondary amine | |
| atorvastatin | [no description available] | medium | 3 | 3 | aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic) | environmental contaminant;
xenobiotic |
| darapladib | [no description available] | medium | 8 | 0 | | |
| colchicine | [no description available] | medium | 1 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
| methotrexate | [no description available] | medium | 1 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
| pravastatin | [no description available] | medium | 1 | 0 | 3-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic) | anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic |
| anacetrapib | [no description available] | medium | 1 | 0 | | |
| dalcetrapib | [no description available] | medium | 1 | 0 | anilide | |
| succinobucol | [no description available] | medium | 1 | 0 | benzoate ester;
phenols | |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| quinazolines | [no description available] | medium | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines | |
| d-4f peptide | [no description available] | medium | 1 | 0 | | |
| oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester;
oxazolidinone | metabolite |
| rvx 208 | [no description available] | medium | 1 | 0 | | |
| tretinoin | [no description available] | medium | 2 | 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 |
| aristolochic acid i | [no description available] | medium | 1 | 0 | aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound | carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin |
| thromboxane a2 | [no description available] | medium | 2 | 0 | epoxy monocarboxylic acid;
thromboxanes A | mouse 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 |
| taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid;
bile acid taurine conjugate | human metabolite |
| leukotriene b4 | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid | human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent |
| oleic acid | [no description available] | medium | 2 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
| interleukin-8 | [no description available] | medium | 1 | 0 | | |
| alminoprofen | [no description available] | medium | 0 | 0 | amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline | antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| berberine | [no description available] | low | 0 | 0 | alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound | antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker |
| benzylideneacetone | [no description available] | low | 0 | 0 | benzylideneacetone | bacterial metabolite;
EC 3.1.1.4 (phospholipase A2) inhibitor;
flavouring agent;
fragrance |
| arachidonyltrifluoromethane | [no description available] | low | 0 | 0 | fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound | EC 3.1.1.4 (phospholipase A2) inhibitor |
| 4-amylcinnamoylanthranilic acid | [no description available] | low | 0 | 0 | amidobenzoic acid;
cinnamamides;
secondary carboxamide | EC 3.1.1.4 (phospholipase A2) inhibitor;
TRP channel blocker |
| ochnaflavone | [no description available] | medium | 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 |
| manoalide | [no description available] | low | 0 | 0 | butenolide;
lactol;
sesterterpenoid | EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite |
| papyriflavonol a | [no description available] | low | 0 | 0 | 3'-hydroxyflavonoid;
flavonols;
pentahydroxyflavone | EC 1.14.18.1 (tyrosinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
metabolite |
| scalaradial | [no description available] | low | 0 | 0 | acetate ester;
carbotetracyclic compound;
dialdehyde;
enal;
scalarane sesterterpenoid | animal metabolite;
anti-inflammatory agent;
apoptosis inducer;
EC 3.1.1.4 (phospholipase A2) inhibitor;
marine metabolite;
TRP channel blocker |
| dapsone | [no description available] | low | 0 | 0 | substituted aniline;
sulfone | anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug |
| ebselen | [no description available] | low | 0 | 0 | benzoselenazole | anti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger |
| palmidrol | [no description available] | low | 0 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent |
| rizatriptan | [no description available] | low | 0 | 0 | tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| prednisolone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic |
| prednisone | [no description available] | low | 0 | 0 | 11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug |
| methylprednisolone acetate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| fluocinolone acetonide | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| triamcinolone acetonide | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| methylprednisolone | [no description available] | low | 0 | 0 | 6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic |
| betamethasone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent |
| fluorometholone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| flumethasone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| betamethasone valerate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester | anti-inflammatory drug |
| beclomethasone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug |
| beclomethasone dipropionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester | anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug |
| triamcinolone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-allergic agent;
anti-inflammatory drug |
| fludrocortisone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid | adrenergic agent;
anti-inflammatory drug |
| clobetasol propionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug |
| zolmitriptan | [no description available] | low | 0 | 0 | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| diflorasone diacetate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
glucocorticoid | anti-inflammatory drug;
antipruritic drug |
| diflorasone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| flunisolide | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone | anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent |
| hydrocortamate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
glucocorticoid;
glycinyl ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
immunosuppressive agent |
| friedelin | [no description available] | low | 0 | 0 | cyclic terpene ketone;
pentacyclic triterpenoid | anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite |
| celastrol | [no description available] | medium | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
| lupeol | [no description available] | low | 0 | 0 | pentacyclic triterpenoid;
secondary alcohol | anti-inflammatory drug;
plant metabolite |
| mometasone furoate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester | anti-allergic agent;
anti-inflammatory drug |
| e 3040 | [no description available] | low | 0 | 0 | benzothiazoles;
organic hydroxy compound;
pyridines;
secondary amino compound | anti-inflammatory drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
uricosuric drug |
| amcinonide | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal | anti-inflammatory drug |
| flumethasone pivalate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| loteprednol etabonate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
etabonate ester;
organochlorine compound;
steroid acid ester;
steroid ester | anti-inflammatory drug |
| fluticasone propionate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
propanoate ester;
steroid ester;
thioester | adrenergic agent;
anti-allergic agent;
anti-asthmatic drug;
anti-inflammatory drug;
bronchodilator agent;
dermatologic drug |
| sch 22219 | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester | anti-inflammatory drug |
| prednisolone hemisuccinate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone | anti-inflammatory drug |
| vx-745 | [no description available] | low | 0 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| pulmicort | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
bronchodilator agent;
drug allergen |
| clocortolone pivalate | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester | anti-inflammatory drug;
antipruritic drug |
| clobetasol | [no description available] | low | 0 | 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 |
| desonide | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
cyclic ketal;
primary alpha-hydroxy ketone | anti-inflammatory drug |
| desoximetasone | [no description available] | low | 0 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone | anti-inflammatory drug;
antipruritic drug |
| andrographolide | [no description available] | low | 0 | 0 | carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol | anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite |
| ginsenoside rb1 | [no description available] | low | 0 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger |
| ginsenoside rd | [no description available] | low | 0 | 0 | beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid | anti-inflammatory drug;
apoptosis inducer;
immunosuppressive agent;
neuroprotective agent;
plant metabolite;
vulnerary |
| sar 1118 | [no description available] | low | 0 | 0 | 1-benzofurans;
isoquinolines;
L-phenylalanine derivative;
N-acyl-L-alpha-amino acid;
sulfone | anti-inflammatory drug;
lymphocyte function-associated antigen-1 antagonist |
| prednisolone sodium succinate | [no description available] | low | 0 | 0 | organic sodium salt | anti-inflammatory drug |
| delgocitinib | [no description available] | low | 0 | 0 | azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide | anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
| dimethyl sulfoxide | [no description available] | low | 0 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
| niacin | [no description available] | low | 0 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
| edrophonium | [no description available] | low | 0 | 0 | phenols;
quaternary ammonium ion | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| fomepizole | [no description available] | low | 0 | 0 | pyrazoles | antidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent |
| edetic acid | [no description available] | low | 0 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
| edrophonium chloride | [no description available] | low | 0 | 0 | chloride salt;
quaternary ammonium salt | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| thiazolidine-4-carboxylic acid | [no description available] | low | 0 | 0 | alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
sulfur-containing amino acid;
thiazolidinemonocarboxylic acid | antidote;
antioxidant;
hepatoprotective agent |
| desferrioxamine b mesylate | [no description available] | low | 0 | 0 | methanesulfonate salt | antidote;
ferroptosis inhibitor;
iron chelator |
| pinostrobin | [no description available] | low | 0 | 0 | monohydroxyflavanone;
monomethoxyflavanone | antidote;
plant metabolite |
| indoleacetamide | [no description available] | low | 0 | 0 | indoles;
monocarboxylic acid amide;
N-acylammonia | bacterial metabolite;
fungal metabolite;
plant metabolite |
| bisindolylmaleimide iii | [no description available] | low | 0 | 0 | indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| bisindolylmaleimide iv | [no description available] | low | 0 | 0 | indoles;
maleimides | |
| bisindolylmaleimide v | [no description available] | low | 0 | 0 | indoles | |
| chetomin | [no description available] | low | 0 | 0 | indoles;
organic disulfide;
organic heteropentacyclic compound | Chaetomium metabolite;
immunosuppressive agent |
| dapi | [no description available] | low | 0 | 0 | indoles | fluorochrome |
| 3,3'-diindolylmethane | [no description available] | low | 0 | 0 | indoles | antineoplastic agent;
P450 inhibitor |
| gö6983 | [no description available] | low | 0 | 0 | indoles;
maleimides | |
| ic 261 | [no description available] | low | 0 | 0 | indoles | |
| indapamide | [no description available] | low | 0 | 0 | indoles;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic |
| indolepropanol phosphate | [no description available] | low | 0 | 0 | indoles;
monoalkyl phosphate | |
| linopirdine | [no description available] | low | 0 | 0 | indoles | |
| pindolol | [no description available] | low | 0 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
| 3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one | [no description available] | low | 0 | 0 | indoles | |
| ro 31-8220 | [no description available] | low | 0 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
| ici 204,219 | [no description available] | low | 0 | 0 | carbamate ester;
indoles;
N-sulfonylcarboxamide | anti-asthmatic agent;
leukotriene antagonist |
| adrenochrome | [no description available] | low | 0 | 0 | indoles | |
| 5-bromoisatin | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| etryptamine | [no description available] | low | 0 | 0 | indoles | |
| hydroxytryptophol | [no description available] | low | 0 | 0 | indoles | |
| indole-3-carbaldehyde | [no description available] | low | 0 | 0 | heteroarenecarbaldehyde;
indole alkaloid;
indoles | bacterial metabolite;
human xenobiotic metabolite;
marine metabolite;
plant metabolite |
| indican | [no description available] | low | 0 | 0 | aryl sulfate;
indoles | human metabolite |
| indoline | [no description available] | low | 0 | 0 | indoles | |
| indoxyl acetate | [no description available] | low | 0 | 0 | indoles | |
| methoxytryptophol | [no description available] | low | 0 | 0 | indoles | |
| 5-methoxyindole | [no description available] | low | 0 | 0 | indoles | |
| iprindole | [no description available] | low | 0 | 0 | indoles | |
| mebhydroline | [no description available] | low | 0 | 0 | indoles | |
| molindone | [no description available] | low | 0 | 0 | indoles | |
| oxyphenisatin | [no description available] | low | 0 | 0 | indoles | |
| 5-Methoxyisatin | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| indalpine | [no description available] | low | 0 | 0 | indoles | |
| 5-bromo-4-chloro-3-indoxyl phosphate | [no description available] | low | 0 | 0 | aryl phosphate;
indoles;
organobromine compound;
organochlorine compound | chromogenic compound |
| geneserine | [no description available] | low | 0 | 0 | indoles | |
| ropinirole hydrochloride | [no description available] | low | 0 | 0 | indoles | |
| tinazoline | [no description available] | low | 0 | 0 | indoles | |
| n-acetyltryptamine | [no description available] | low | 0 | 0 | acetamides;
indoles | |
| mepindolol | [no description available] | low | 0 | 0 | indoles | |
| eletriptan | [no description available] | low | 0 | 0 | indoles;
N-alkylpyrrolidine;
sulfone | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| 5-methoxyindole-3-carbaldehyde | [no description available] | low | 0 | 0 | indoles | |
| 6-chloroindole | [no description available] | low | 0 | 0 | indoles | |
| 5-Chloro-1H-indole-2,3-dione | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| 5-iodoisatin | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| lyngbyatoxin a | [no description available] | low | 0 | 0 | indoles | |
| indolactam v | [no description available] | low | 0 | 0 | indoles | |
| indo-1 | [no description available] | low | 0 | 0 | indoles | fluorochrome |
| ramosetron hydrochloride | [no description available] | low | 0 | 0 | indoles | |
| ramosetron | [no description available] | low | 0 | 0 | indoles | |
| 5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indole | [no description available] | low | 0 | 0 | indoles | |
| echinuline | [no description available] | low | 0 | 0 | 2,5-diketopiperazines;
indole alkaloid;
indoles;
olefinic compound | Aspergillus metabolite;
marine metabolite;
plant metabolite |
| luzindole | [no description available] | low | 0 | 0 | acetamides;
indoles | melatonin receptor antagonist |
| almotriptan | [no description available] | low | 0 | 0 | indoles;
sulfonamide;
tertiary amine | non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| sb 200646 | [no description available] | low | 0 | 0 | indoles | |
| tilivalline | [no description available] | low | 0 | 0 | indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine | bacterial metabolite;
microtubule-stabilising agent;
toxin |
| asperlicin c | [no description available] | low | 0 | 0 | asperlicins;
indoles;
organic heterotetracyclic compound | Aspergillus metabolite;
cholecystokinin antagonist |
| sandoz-21-009 | [no description available] | low | 0 | 0 | indoles | |
| pendolmycin | [no description available] | low | 0 | 0 | indoles | metabolite |
| cyanopindolol | [no description available] | low | 0 | 0 | indoles | |
| leukodopachrome | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
indoles | metabolite |
| 3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one | [no description available] | low | 0 | 0 | indoles | |
| 3-methyleneindolenine | [no description available] | low | 0 | 0 | indoles | metabolite |
| sb 216763 | [no description available] | low | 0 | 0 | indoles;
maleimides | |
| enzastaurin | [no description available] | low | 0 | 0 | indoles;
maleimides | |
| brevianamide f | [no description available] | low | 0 | 0 | dipeptide;
indoles;
pyrrolopyrazine | metabolite |
| 3-(hydroxyacetyl)indole | [no description available] | low | 0 | 0 | indoles | |
| roxindole | [no description available] | low | 0 | 0 | indoles | alpha-adrenergic antagonist;
serotonergic drug |
| 5-Fluoroisatin | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| beta-indol-3-yl-glucoside | [no description available] | low | 0 | 0 | glycoside;
indoles | |
| 2-methyl-3-(phenylmethylthio)-1H-indole | [no description available] | low | 0 | 0 | indoles | |
| indole-3-acetonitrile | [no description available] | low | 0 | 0 | indoles;
nitrile | auxin;
human xenobiotic metabolite;
plant hormone;
plant metabolite |
| 10H-[1]benzothiolo[3,2-b]indole | [no description available] | low | 0 | 0 | indoles | |
| 2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide | [no description available] | low | 0 | 0 | indoles;
secondary carboxamide;
trifluoroacetamide | |
| physovenine | [no description available] | low | 0 | 0 | indoles | |
| dendrobine | [no description available] | low | 0 | 0 | indoles | |
| ck-0944666 | [no description available] | low | 0 | 0 | benzamides;
indoles;
organofluorine compound | actin polymerisation inhibitor |
| methyl indole-3-carboxylate | [no description available] | low | 0 | 0 | indoles;
methyl ester | metabolite |
| 2-(1H-indol-3-ylthio)acetic acid | [no description available] | low | 0 | 0 | indoles | |
| 3-(4-pyridyl)-1h-indole | [no description available] | low | 0 | 0 | indoles | |
| 1-(2,3-dihydroindol-1-yl)-2-(5-pyridin-4-yl-2-tetrazolyl)ethanone | [no description available] | low | 0 | 0 | indoles | |
| 2-(6-cyano-1-indolyl)-N-cyclohexylacetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-methyl-2-[(4-methyl-1-piperidinyl)methyl]-3-indolecarbonitrile | [no description available] | low | 0 | 0 | indoles | |
| 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine | [no description available] | low | 0 | 0 | indoles | |
| N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]-2-thiophen-2-ylacetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[5-(2-amino-5-methyl-4-thiazolyl)-2,3-dihydroindol-1-yl]-1-butanone | [no description available] | low | 0 | 0 | indoles | |
| 2-(2-methyl-1H-indol-3-yl)ethanol | [no description available] | low | 0 | 0 | indoles | |
| 2-(2-ethyl-1-piperidinyl)-1-(2-methyl-1H-indol-3-yl)ethanone | [no description available] | low | 0 | 0 | indoles | |
| 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1-pyrrolidinyl)ethanone | [no description available] | low | 0 | 0 | indoles | |
| 1-methyl-2-[(phenylthio)methyl]-3-indolecarbonitrile | [no description available] | low | 0 | 0 | indoles | |
| 1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone | [no description available] | low | 0 | 0 | indoles | |
| 2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine | [no description available] | low | 0 | 0 | indoles | |
| 8-(1H-indol-3-ylmethylidene)-6,10-dioxaspiro[4.5]decane-7,9-dione | [no description available] | low | 0 | 0 | indoles | |
| N-(1-acetyl-2-chloro-3-indolyl)-2-chloroacetamide | [no description available] | low | 0 | 0 | indoles | |
| 4-(5-methoxy-1,2-dimethyl-3-indolyl)-2-thiazolamine | [no description available] | low | 0 | 0 | indoles | |
| N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamide | [no description available] | low | 0 | 0 | indoles | |
| oncrasin-1 | [no description available] | low | 0 | 0 | arenecarbaldehyde;
indoles;
monochlorobenzenes | antineoplastic agent;
apoptosis inducer |
| 1-(2-methyl-1H-indol-3-yl)-2-(2-thiazolylamino)ethanone | [no description available] | low | 0 | 0 | indoles | |
| N-(2-fluorophenyl)-2-[3-(1-oxopropyl)-1-indolyl]acetamide | [no description available] | low | 0 | 0 | indoles | |
| 2-(3-acetyl-1-indolyl)-N-(2,4-dimethylphenyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| 4-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | indoles | |
| LSM-33266 | [no description available] | low | 0 | 0 | indoles | |
| 1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile | [no description available] | low | 0 | 0 | indoles | |
| [1-(2-phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione | [no description available] | low | 0 | 0 | indoles | |
| N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-thiazolyl]acetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one | [no description available] | low | 0 | 0 | indoles | |
| N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| 1-(3-phenoxypropyl)-3-indolecarbonitrile | [no description available] | low | 0 | 0 | indoles | |
| 1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione | [no description available] | low | 0 | 0 | indoles | |
| 2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea | [no description available] | low | 0 | 0 | indoles | |
| 2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| N-(2-furanylmethyl)-2-[3-(1-oxo-2-phenoxyethyl)-1-indolyl]acetamide | [no description available] | low | 0 | 0 | indoles | |
| 4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| 2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| 2-chloro-3-pyridinecarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| 4-(1H-indol-3-yl)butanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanone | [no description available] | low | 0 | 0 | indoles | |
| 1H-indol-3-yl(pyridin-2-yl)methanol | [no description available] | low | 0 | 0 | indoles | |
| N-(1H-indol-5-yl)-2-thiophenecarboxamide | [no description available] | low | 0 | 0 | indoles | |
| 4-[[1-[(3,4-dichlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | [no description available] | low | 0 | 0 | indoles | |
| 2-methyl-3-[(2-methyl-1H-indol-3-yl)-(2-pyridinyl)methyl]-1H-indole | [no description available] | low | 0 | 0 | indoles | |
| N-[amino-[2-(1H-indol-3-yl)ethylimino]methyl]-4-chlorobenzamide | [no description available] | low | 0 | 0 | indoles | |
| 3-[2-(2,4-dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone | [no description available] | low | 0 | 0 | indoles | |
| 1-[2-(hydroxymethyl)-1-benzimidazolyl]-3-(1-indolyl)-2-propanol | [no description available] | low | 0 | 0 | indoles | |
| 6-(2-chlorophenyl)-3-methyl-2-[4-morpholinyl(oxo)methyl]-1,5,6,7-tetrahydroindol-4-one | [no description available] | low | 0 | 0 | indoles | |
| 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester | [no description available] | low | 0 | 0 | indoles | |
| 5-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester | [no description available] | low | 0 | 0 | indoles | |
| N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide | [no description available] | low | 0 | 0 | indoles | |
| 2-[(prop-2-enylthio)-(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]propanedinitrile | [no description available] | low | 0 | 0 | indoles | |
| 2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester | [no description available] | low | 0 | 0 | indoles | |
| 5-methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione | [no description available] | low | 0 | 0 | indoles | |
| N-[2-(1H-indol-3-yl)ethyl]-4-(phenylmethyl)-5-thieno[3,2-b]pyrrolecarboxamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[cyclopropyl(oxo)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-2,3-dihydroindole-5-sulfonamide | [no description available] | low | 0 | 0 | indoles | |
| 5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide | [no description available] | low | 0 | 0 | indoles | |
| 4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide | [no description available] | low | 0 | 0 | indoles | |
| 4-(2,3-dihydroindol-1-yl)-N-[3-(N-ethyl-3-methylanilino)propyl]-3-(1-imidazolyl)-4-oxobutanamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | indoles | |
| N-[2-(2-methyl-1-indolyl)ethyl]benzamide | [no description available] | low | 0 | 0 | indoles | |
| 3-[[5-bromo-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindol-7-yl]sulfonyl]-N-[(5-methyl-2-furanyl)methyl]propanamide | [no description available] | low | 0 | 0 | indoles | |
| acetic acid [2-(1-acetyl-6-indolyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | indoles | |
| N-[2-(1-cyclohexenyl)ethyl]-1-[cyclopropyl(oxo)methyl]-2,3-dihydroindole-5-sulfonamide | [no description available] | low | 0 | 0 | indoles | |
| 4-[2-[[1-[(2-methylphenyl)methyl]-3-indolyl]sulfonyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | indoles | |
| N-[4-(dimethylamino)phenyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| cyclobutyl-[5-[(2-ethyl-1-piperidinyl)sulfonyl]-2,3-dihydroindol-1-yl]methanone | [no description available] | low | 0 | 0 | indoles | |
| n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea | [no description available] | low | 0 | 0 | 1,2-thiazoles;
indoles;
ureas | receptor modulator;
serotonergic antagonist |
| n-pentanoyl-2-benzyltryptamine | [no description available] | low | 0 | 0 | indoles | |
| 2-[[1-(phenylmethyl)-3-indolyl]thio]-N-(2-thiazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| [1-[2-(2-methylphenoxy)ethyl]-3-indolyl]-(4-methyl-1-piperazinyl)methanethione | [no description available] | low | 0 | 0 | indoles | |
| 1-(Chloroacetyl)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| N-[(1,2-dimethyl-5-indolyl)methyl]-2-methyl-3-nitrobenzamide | [no description available] | low | 0 | 0 | indoles | |
| N-(2-furanylmethyl)-2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide | [no description available] | low | 0 | 0 | indoles | |
| l 663536 | [no description available] | low | 0 | 0 | aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes | antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist |
| 2-[(1-methyl-3-indolyl)thio]-N-(2-thiazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| Nb-Palmitoyltryptamine | [no description available] | low | 0 | 0 | indoles | |
| rs 17053 | [no description available] | low | 0 | 0 | indoles | |
| N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone | [no description available] | low | 0 | 0 | indoles | |
| 1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(2-furanylmethyl)thiourea | [no description available] | low | 0 | 0 | indoles | |
| 5-bromo-N-[(1,2-dimethyl-5-indolyl)methyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[(1,2-dimethyl-5-indolyl)methyl]-3-(phenylmethyl)thiourea | [no description available] | low | 0 | 0 | indoles | |
| 4-chloro-N-[2-(1H-indol-3-yl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide | [no description available] | low | 0 | 0 | indoles | |
| 1-cyclohexyl-3-[(1,2-dimethyl-5-indolyl)methyl]urea | [no description available] | low | 0 | 0 | indoles | |
| 5-bromo-N-[2-(2-methyl-1-indolyl)ethyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | indoles | |
| le 300 | [no description available] | low | 0 | 0 | indoles | |
| 4-[(1,2-dimethyl-5-indolyl)methylamino]-4-oxobutanoic acid | [no description available] | low | 0 | 0 | indoles | |
| 5-Nitroisatin | [no description available] | low | 0 | 0 | indoles | anticoronaviral agent |
| 1-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[3-(dimethylamino)propyl]thiourea | [no description available] | low | 0 | 0 | indoles | |
| N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]benzamide | [no description available] | low | 0 | 0 | indoles | |
| 2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide | [no description available] | low | 0 | 0 | indoles | |
| ro 60-0175 | [no description available] | low | 0 | 0 | indoles;
organochlorine compound;
organofluorine compound;
primary amino compound | |
| N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)-2-phenylethanone | [no description available] | low | 0 | 0 | indoles | |
| 1-acetyl-N-[3-(N-ethyl-3-methylanilino)propyl]-2,3-dihydroindole-5-sulfonamide | [no description available] | low | 0 | 0 | indoles | |
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one | [no description available] | low | 0 | 0 | indoles | |
| koumine | [no description available] | low | 0 | 0 | indoles | |
| AG-370 | [no description available] | low | 0 | 0 | indoles | |
| (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
indoles;
organofluorine compound | |
| apaziquone | [no description available] | low | 0 | 0 | indoles | |
| amaranthin betacyanin | [no description available] | low | 0 | 0 | disaccharide derivative;
indoles;
olefinic compound;
tetrahydropyridine | biological pigment;
plant metabolite |
| (5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine | [no description available] | low | 0 | 0 | indoles | |
| chaetoglobosin A | [no description available] | low | 0 | 0 | cytochalasan alkaloid;
epoxide;
indoles;
macrocycle;
secondary alpha-hydroxy ketone | Chaetomium metabolite |
| LSM-18452 | [no description available] | low | 0 | 0 | indoles | |
| (2R,4R)-4-(1-acetyl-3-indolyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(phenylmethyl)-3,4-dihydro-2H-pyran-6-carboxamide | [no description available] | low | 0 | 0 | indoles | |
| vilazodone | [no description available] | low | 0 | 0 | 1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile | antidepressant;
serotonergic agonist;
serotonin uptake inhibitor |
| cyclo(glycyltryptophyl) | [no description available] | low | 0 | 0 | indoles | metabolite |
| 2-[(1R,3S)-3-(7-bromo-2-methyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]acetonitrile | [no description available] | low | 0 | 0 | indoles | |
| (11S,14S)-Cyclo-(L-Trp-L-Phe) | [no description available] | low | 0 | 0 | indoles | Aspergillus metabolite |
| LSM-3706 | [no description available] | low | 0 | 0 | indoles | |
| LSM-3511 | [no description available] | low | 0 | 0 | indoles | |
| LSM-2818 | [no description available] | low | 0 | 0 | indoles | |
| tryprostatin b | [no description available] | low | 0 | 0 | dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | |
| l 779976 | [no description available] | low | 0 | 0 | benzimidazoles;
indoles;
piperidinecarboxamide;
primary amino compound;
secondary carboxamide | neuroprotective agent;
somatostatin receptor agonist |
| tmc-95a | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor |
| nematophin | [no description available] | low | 0 | 0 | indoles | |
| molindone hydrochloride | [no description available] | low | 0 | 0 | indoles | |
| am 694 | [no description available] | low | 0 | 0 | aromatic ketone;
indoles;
organofluorine compound;
organoiodine compound;
synthetic cannabinoid | cannabinoid receptor agonist |
| tryprostatin a | [no description available] | low | 0 | 0 | aromatic ether;
dipeptide;
indole alkaloid;
indoles;
pyrrolopyrazine | breast cancer resistance protein inhibitor |
| way-362450 | [no description available] | low | 0 | 0 | indoles | |
| fumiquinazoline f | [no description available] | low | 0 | 0 | fumiquinazoline;
indoles;
pyrazinoquinazoline | |
| 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole | [no description available] | low | 0 | 0 | indoles | |
| a 443654 | [no description available] | low | 0 | 0 | indoles | |
| noradrenochrome | [no description available] | low | 0 | 0 | indoles | |
| sotrastaurin | [no description available] | low | 0 | 0 | indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines | anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent |
| tmc-95b | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor |
| chromopyrrolic acid | [no description available] | low | 0 | 0 | indoles;
pyrroledicarboxylic acid | bacterial metabolite |
| arq 197 | [no description available] | low | 0 | 0 | indoles | |
| quisinostat | [no description available] | low | 0 | 0 | indoles | |
| pf-562,271 | [no description available] | low | 0 | 0 | indoles | |
| Dihydro-beta-erythroidine hydrobromide | [no description available] | low | 0 | 0 | indoles | |
| N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide | [no description available] | low | 0 | 0 | indoles | |
| complestatin | [no description available] | low | 0 | 0 | cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol | anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite |
| neuroprotectin a | [no description available] | low | 0 | 0 | cyclic ether;
heterodetic cyclic peptide;
indoles;
organochlorine compound;
polyphenol | HIV-1 integrase inhibitor;
metabolite |
| 2-[3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-indolyl]-N,N-di(propan-2-yl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[3-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-pyran-4-yl]-1-indolyl]ethanone | [no description available] | low | 0 | 0 | indoles | |
| 3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one | [no description available] | low | 0 | 0 | indoles | |
| 2-[1-[2-(diethylamino)-2-oxoethyl]-3-indolyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide | [no description available] | low | 0 | 0 | indoles | |
| 1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | indoles | |
| N-(4-propan-2-ylphenyl)-1-[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonyl]-4-piperidinecarboxamide | [no description available] | low | 0 | 0 | indoles | |
| N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | indoles | |
| cink4 | [no description available] | low | 0 | 0 | indoles | |
| chondramide c | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| 2-[[1-[(3-chlorophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| 2-[[1-[(3-bromophenyl)methyl]-3-indolyl]sulfonyl]-N-(5-methyl-3-isoxazolyl)acetamide | [no description available] | low | 0 | 0 | indoles | |
| wasalexin a | [no description available] | low | 0 | 0 | indoles | |
| chondramide a | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| (3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine | [no description available] | low | 0 | 0 | indoles | |
| gsk2656157 | [no description available] | low | 0 | 0 | biaryl;
indoles;
methylpyridines;
organofluorine compound;
pyrrolopyrimidine;
tertiary carboxamide | antineoplastic agent;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
PERK inhibitor |
| AZD3463 | [no description available] | low | 0 | 0 | aminopiperidine;
aminopyrimidine;
indoles;
monomethoxybenzene;
organochlorine compound;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| osimertinib | [no description available] | low | 0 | 0 | acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound | antineoplastic agent;
epidermal growth factor receptor antagonist |
| acarbose | [no description available] | low | 0 | 0 | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite |
| chondramide d | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| THZ531 | [no description available] | low | 0 | 0 | aminopyrimidine;
enamide;
indoles;
N-acylpiperidine;
organochlorine compound;
secondary amino compound;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| lugdunin | [no description available] | low | 0 | 0 | homodetic cyclic peptide;
indoles;
macrocycle;
peptide antibiotic;
thiazolidines | human metabolite;
rat metabolite |
| tegaserod | [no description available] | low | 0 | 0 | carboxamidine;
guanidines;
hydrazines;
indoles | gastrointestinal drug;
serotonergic agonist |
| brassilexin | [no description available] | low | 0 | 0 | indoles | |
| indolmycin | [no description available] | low | 0 | 0 | 1,3-oxazoles;
indoles;
secondary amino compound | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
| N'-(1h-indol-3-ylmethylene)benzohydrazide | [no description available] | low | 0 | 0 | indoles | |
| 3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antifungal agent;
human metabolite;
plant metabolite |
| benzene | [no description available] | low | 0 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
| phenylacetic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid;
phenylacetic acids | allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin |
| gallopamil | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| mandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
benzenes | antibacterial agent;
human xenobiotic metabolite |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile | geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
| bencyclane | [no description available] | low | 0 | 0 | benzenes | |
| benzamidine | [no description available] | low | 0 | 0 | benzenes;
carboxamidine | serine protease inhibitor |
| benzyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes;
isothiocyanate | antibacterial drug |
| benzylhydrochlorothiazide | [no description available] | low | 0 | 0 | benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide | |
| carbetapentane | [no description available] | low | 0 | 0 | benzenes | |
| carbidopa | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| cetraxate | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| chlorpropham | [no description available] | low | 0 | 0 | benzenes;
carbamate ester;
monochlorobenzenes | herbicide;
plant growth retardant |
| cimaterol | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| clofilium | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| diphenidol | [no description available] | low | 0 | 0 | benzenes;
piperidines;
tertiary alcohol | antiemetic |
| cycloadiphenine | [no description available] | low | 0 | 0 | benzenes | |
| fenipentol | [no description available] | low | 0 | 0 | benzenes | |
| 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | low | 0 | 0 | benzenes | |
| lidocaine | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| isocarboxazid | [no description available] | low | 0 | 0 | benzenes | |
| labetalol | [no description available] | low | 0 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| methadone | [no description available] | low | 0 | 0 | benzenes;
diarylmethane;
ketone;
tertiary amino compound | |
| 3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| metolachlor | [no description available] | low | 0 | 0 | aromatic amide;
benzenes;
ether;
organochlorine compound | |
| nafoxidine | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
ring assembly | |
| nicardipine | [no description available] | low | 0 | 0 | benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound | |
| phenprobamate | [no description available] | low | 0 | 0 | benzenes | |
| sulfabenzamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide antibiotic;
sulfonamide | antibacterial drug;
antimicrobial drug |
| sulfacytine | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| sulfamonomethoxine | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| sulfaquinoxaline | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 2-phenylcyclopropan-1-amine | [no description available] | low | 0 | 0 | benzenes;
cyclopropanes;
primary amine | |
| tyropanoate | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| tolazoline hydrochloride | [no description available] | low | 0 | 0 | benzenes | |
| phenylethyl alcohol | [no description available] | low | 0 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| mebanazine | [no description available] | low | 0 | 0 | benzenes | |
| phencyclidine | [no description available] | low | 0 | 0 | benzenes;
piperidines | anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug |
| caramiphen | [no description available] | low | 0 | 0 | benzenes | |
| acetyl sulfisoxazole | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 2-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | human xenobiotic metabolite |
| diphenyl | [no description available] | low | 0 | 0 | aromatic fungicide;
benzenes;
biphenyls | antifungal agrochemical;
antimicrobial food preservative |
| styrene glycol | [no description available] | low | 0 | 0 | benzenes | |
| sulfaethidole | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| iophenoxic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| benzotrichloride | [no description available] | low | 0 | 0 | benzenes;
organochlorine compound;
volatile organic compound | carcinogenic agent |
| benzal chloride | [no description available] | low | 0 | 0 | benzenes | |
| benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride;
benzenes | carcinogenic agent |
| benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| methylphenylsulfide | [no description available] | low | 0 | 0 | aryl sulfide;
benzenes | |
| methyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| ethyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| phenyl isocyanate | [no description available] | low | 0 | 0 | benzenes;
isocyanates | allergen;
hapten |
| 3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde;
benzenes | flavouring agent;
plant metabolite |
| 1,4-diethylbenzene | [no description available] | low | 0 | 0 | benzenes | |
| benzyl cyanide | [no description available] | low | 0 | 0 | benzenes;
nitrile | animal metabolite;
pheromone |
| pivalylbenzhydrazine | [no description available] | low | 0 | 0 | benzenes | |
| mexacarbate | [no description available] | low | 0 | 0 | benzenes | |
| carbutamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| methaphenilene | [no description available] | low | 0 | 0 | benzenes | |
| biphenylacetylene | [no description available] | low | 0 | 0 | arylacetylene;
benzenes | fluorochrome |
| beclamide | [no description available] | low | 0 | 0 | benzenes | |
| mepiperphenidol | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| glybuthiazol | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| phenylacetylene | [no description available] | low | 0 | 0 | benzenes | |
| sulfanilylurea | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| metahexamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| nitrosobenzene | [no description available] | low | 0 | 0 | benzenes;
nitroso compound | xenobiotic metabolite |
| triphenylphosphine | [no description available] | low | 0 | 0 | benzenes;
tertiary phosphine | NMR chemical shift reference compound;
reducing agent |
| 2-cyanophenol | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| bensulide | [no description available] | low | 0 | 0 | benzenes | |
| 1-phenylcyclohex-1-ene | [no description available] | low | 0 | 0 | benzenes | |
| diphenyl disulfide | [no description available] | low | 0 | 0 | benzenes | |
| 2-phenylpropanol | [no description available] | low | 0 | 0 | benzenes | |
| methyl phenyl sulfoxide | [no description available] | low | 0 | 0 | benzenes;
sulfoxide | |
| 2,6-dimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzenes;
carbonyl compound | |
| phenylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| pyrazon | [no description available] | low | 0 | 0 | benzenes;
organochlorine compound;
primary amino compound;
pyridazinone | environmental contaminant;
herbicide;
xenobiotic |
| 3-phenylpropylamine | [no description available] | low | 0 | 0 | benzenes;
phenylalkylamine;
primary amino compound | |
| aminorex | [no description available] | low | 0 | 0 | benzenes | |
| 5-phenylvaleric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| bitoscanate | [no description available] | low | 0 | 0 | benzenes | |
| 3-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | antibacterial agent;
bacterial xenobiotic metabolite |
| teclozan | [no description available] | low | 0 | 0 | benzenes | |
| dioxacarb | [no description available] | low | 0 | 0 | benzenes | |
| fenestrel | [no description available] | low | 0 | 0 | benzenes | |
| propham | [no description available] | low | 0 | 0 | benzenes;
carbamate ester | herbicide;
plant growth retardant |
| cyanophenphos | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| N'-methyl-N,N-diphenylurea | [no description available] | low | 0 | 0 | benzenes | |
| dibenzo-18-crown-6 | [no description available] | low | 0 | 0 | benzenes;
crown ether | phase-transfer catalyst |
| clobutinol | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| ripazepam | [no description available] | low | 0 | 0 | benzenes | |
| u 40481 | [no description available] | low | 0 | 0 | benzenes;
formamidines | marine xenobiotic metabolite |
| iprodione | [no description available] | low | 0 | 0 | benzenes;
dichlorophenyl dicarboximide fungicide;
imidazole fungicide;
imidazolidine-2,4-dione;
ureas | antifungal agrochemical;
nematicide |
| clorsulon | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| ibutilide | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| prosulfocarb | [no description available] | low | 0 | 0 | benzenes;
monothiocarbamic ester | environmental contaminant;
herbicide;
xenobiotic |
| Isopropyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| 4-methyl-1-phenylpentan-2-ol | [no description available] | low | 0 | 0 | benzenes | |
| magnesium salicylate | [no description available] | low | 0 | 0 | benzenes;
carbonyl compound | |
| plerixafor | [no description available] | low | 0 | 0 | azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound | anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant |
| tribuzone | [no description available] | low | 0 | 0 | benzenes | |
| phenylpropiolic acid | [no description available] | low | 0 | 0 | acetylenic compound;
alpha,beta-unsaturated monocarboxylic acid;
benzenes | |
| 2-Oxo-4-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes | |
| emopamil | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| bathophenanthroline | [no description available] | low | 0 | 0 | benzenes;
phenanthrolines | chelator |
| 2-aminobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 3-phenylpropyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes | |
| 4-chloro-5-sulfamoylanthranilic acid | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| phenylheptatriyne | [no description available] | low | 0 | 0 | benzenes | |
| methyl mandelate | [no description available] | low | 0 | 0 | benzenes | |
| benzylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| 9,10-bis(phenylethynyl)anthracene | [no description available] | low | 0 | 0 | anthracenes;
arylacetylene;
benzenes | fluorochrome |
| 4-phenylbutylamine | [no description available] | low | 0 | 0 | benzenes;
phenylalkylamine;
primary amino compound | |
| 3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| sdds | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 1-hydroxy-1-phenyl-2-propanone | [no description available] | low | 0 | 0 | benzenes;
methyl ketone;
secondary alpha-hydroxy ketone | |
| silomat | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| phenylisopropyladenosine | [no description available] | low | 0 | 0 | aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound | adenosine A1 receptor agonist;
neuroprotective agent |
| alpha-Cyclohexylmandelic acid | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-1-phenylmethyl phosphonic acid | [no description available] | low | 0 | 0 | benzenes;
phosphonic acids;
primary amino compound | |
| alpha-methylphenylalanine | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| piscidic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| mitiglinide | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| 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-phenylbutyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| n-acetylphenelzine | [no description available] | low | 0 | 0 | benzenes | |
| forasartan | [no description available] | low | 0 | 0 | benzenes;
pyridines;
tetrazoles;
triazoles | angiotensin receptor antagonist;
antihypertensive agent |
| desethyloxybutynin | [no description available] | low | 0 | 0 | benzenes | |
| 3,5-dihydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| fukiic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| monodesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| cyclodrine | [no description available] | low | 0 | 0 | benzenes | |
| didesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| carlina oxide | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes;
beta-D-glucoside | plant metabolite |
| cafenstrole | [no description available] | low | 0 | 0 | benzenes;
sulfone;
triazoles | agrochemical;
antimitotic;
herbicide |
| (5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | low | 0 | 0 | benzenes | |
| pifithrin mu | [no description available] | low | 0 | 0 | benzenes | |
| 2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes;
chromones | plant metabolite |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes;
benzodiazepine;
imidazoles;
nitrile;
sulfonamide;
thiophenes | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| N-bis(N-methylanilino)phosphoryl-N-methylaniline | [no description available] | low | 0 | 0 | benzenes | |
| 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 4,5-diphenyl-1,2,3-triazole | [no description available] | low | 0 | 0 | benzenes;
ring assembly;
triazoles | |
| N-benzylquinazolin-4-amine | [no description available] | low | 0 | 0 | benzenes;
quinazolines;
secondary amino compound | |
| 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | [no description available] | low | 0 | 0 | benzenes | |
| thiobenzamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | aryl sulfide;
benzenes;
thienopyrimidine | |
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| N-methyl-N-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine | [no description available] | low | 0 | 0 | benzenes | |
| 1-cyclohexyl-3-(2-phenylethyl)urea | [no description available] | low | 0 | 0 | benzenes | |
| 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester | [no description available] | low | 0 | 0 | benzenes | |
| 1,3-bis(2-phenylethyl)thiourea | [no description available] | low | 0 | 0 | benzenes | |
| 8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | benzenes;
triazolothiadiazole | |
| 4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(1H-imidazol-1-ylmethyl)benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-(3-phenylpropyl)methanesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| amn082 | [no description available] | low | 0 | 0 | benzenes;
diamine;
diarylmethane;
secondary amino compound | metabotropic glutamate receptor agonist;
neuroprotective agent |
| 2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide | [no description available] | low | 0 | 0 | benzenes | |
| N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| N1-phenethylhydrazine-1-carbothioamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-hydroxy-5,5-dimethyl-2-phenyltetrahydro-4H-imidazole-4-thione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| N-(cyclopropylmethyl)-N'-phenylurea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 2-(4-pentylphenyl)acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| k 858 | [no description available] | low | 0 | 0 | benzenes | |
| 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-phenyl-3H-thiazole-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| sulfatolamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| ifetroban | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| 1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester | [no description available] | low | 0 | 0 | benzenes;
pyranopyrazole | |
| 3-phenyl-3-(1-tetrazolyl)propanoic acid | [no description available] | low | 0 | 0 | benzenes;
monocarboxylic acid | |
| 3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide | [no description available] | low | 0 | 0 | benzenes | |
| 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes;
thiadiazolidine | anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| 1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea | [no description available] | low | 0 | 0 | benzenes | |
| 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 |
| l796778 | [no description available] | low | 0 | 0 | benzenes;
C-nitro compound;
L-lysine derivative;
L-phenylalanine derivative;
methyl ester;
oligopeptide;
secondary carboxamide;
ureas | somatostatin receptor agonist |
| l803087 | [no description available] | low | 0 | 0 | benzenes;
fluoroindole;
guanidines;
L-arginine derivative;
methyl ester;
phenylindole;
secondary carboxamide | somatostatin receptor agonist |
| ro 4-6790 | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| bay 11-7085 | [no description available] | low | 0 | 0 | benzenes;
nitrile;
sulfone | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor |
| gluconasturtiin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid;
benzenes | |
| DPI2 | [no description available] | low | 0 | 0 | benzenes;
morpholines;
secondary carboxamide;
tertiary amino compound;
thiazolidinone | ferroptosis inducer |
| l 744832 | [no description available] | low | 0 | 0 | benzenes;
ether;
isopropyl ester;
secondary carboxamide;
sulfone;
thiol | antineoplastic agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
geroprotector |
| glucotropeolin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid;
benzenes | |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether;
benzenes;
psoralens | geroprotector;
immunosuppressive agent;
potassium channel blocker |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist |
| bm 567 | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines;
benzenes;
imidazoles;
olefinic compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
microtubule-destabilising agent |
| chlorobactene | [no description available] | low | 0 | 0 | benzenes;
carotenoid phi-end group;
carotenoid | bacterial metabolite |
| ws-5995 c | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
ring assembly | |
| phevalin | [no description available] | low | 0 | 0 | benzenes;
pyrazinone | bacterial metabolite;
calpain inhibitor |
| np 031112 | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
thiadiazolidine | anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles;
1,3-thiazoles;
azamacrocycle;
benzenes;
heterodetic cyclic peptide | antineoplastic agent;
bacterial metabolite |
| 3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| SYC-435 | [no description available] | low | 0 | 0 | benzenes;
cyclic hydroxamic acid;
pyridone | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| trelagliptin | [no description available] | low | 0 | 0 | benzenes;
nitrile | |
| 1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide | [no description available] | low | 0 | 0 | benzenes | |
| (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| phenylmercuric acetate | [no description available] | low | 0 | 0 | arylmercury compound;
benzenes | |
| sm 164 | [no description available] | low | 0 | 0 | benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles | antineoplastic agent;
apoptosis inducer;
radiosensitizing agent |
| 5-Methyl-1-phenyl-3-hexanyl sulfamate | [no description available] | low | 0 | 0 | benzenes | |
| 1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea | [no description available] | low | 0 | 0 | benzenes;
organic amino compound | |
| niraparib | [no description available] | low | 0 | 0 | benzenes;
indazoles;
piperidines;
primary carboxamide | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide | [no description available] | low | 0 | 0 | benzenes | |
| 1,1,1,2,2-pentafluoro-7-phenylheptan-3-one | [no description available] | low | 0 | 0 | benzenes | |
| 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline | [no description available] | low | 0 | 0 | benzenes;
sulfonamide | |
| difenacoum | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
ring assembly | |
| warfarin | [no description available] | low | 0 | 0 | benzenes;
hydroxycoumarin;
methyl ketone | |
| bromfenacoum | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
ring assembly | |
| flocoumafen | [no description available] | low | 0 | 0 | benzenes;
naphthalenes;
ring assembly | |
| gsk2879552 | [no description available] | low | 0 | 0 | benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
| 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 |
| 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 | |
| verapamil | [no description available] | low | 0 | 0 | aromatic ether;
nitrile;
polyether;
tertiary amino compound | |
| 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 |
| fluoxetine | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
| 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 | |
| indomethacin | [no description available] | low | 0 | 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 |
| ipriflavone | [no description available] | low | 0 | 0 | aromatic ether;
isoflavones | bone density conservation agent |
| 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 |
| omeprazole | [no description available] | low | 0 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| 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 |
| phenacetin | [no description available] | low | 0 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
| 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 | |
| phenetole | [no description available] | low | 0 | 0 | aromatic ether | |
| scoparone | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anti-allergic agent;
anti-inflammatory agent;
antihypertensive agent;
antilipemic drug;
immunosuppressive agent;
plant metabolite |
| 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 | |
| 7-ethoxycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | |
| 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 | |
| suberosin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins | anticoagulant;
plant metabolite |
| 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 |
| prochloraz | [no description available] | low | 0 | 0 | amide fungicide;
aromatic ether;
conazole fungicide;
imidazole fungicide;
imidazoles;
trichlorobenzene;
ureas | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic |
| 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 | |
| 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 |
| dronedarone | [no description available] | low | 0 | 0 | 1-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound | anti-arrhythmia drug;
environmental contaminant;
xenobiotic |
| 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 |
| 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 |
| glycyrin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
hydroxyisoflavans | antibacterial agent;
metabolite;
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 |
| xanthohumol | [no description available] | low | 0 | 0 | aromatic ether;
chalcones;
polyphenol | anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite |
| 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 |
| 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 |
| glycycoumarin | [no description available] | low | 0 | 0 | aromatic ether;
coumarins;
resorcinols | antispasmodic drug;
plant metabolite |
| 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 |
| 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-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 | |
| 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 |
| 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 | |
| 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 | |
| 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 |
| oxamic acid | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide | Escherichia coli metabolite |
| lorglumide | [no description available] | low | 0 | 0 | benzamides;
dicarboxylic acid monoamide;
dichlorobenzene;
glutamic acid derivative | |
| phthalylsulfathiazole | [no description available] | low | 0 | 0 | 1,3-thiazoles;
dicarboxylic acid monoamide;
sulfonamide antibiotic;
sulfonamide | |
| proglumide | [no description available] | low | 0 | 0 | benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate | anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite |
| alpha-naphthylphthalamic acid | [no description available] | low | 0 | 0 | carboxylic acid;
dicarboxylic acid monoamide;
N-(1-naphthyl)carboxamide | herbicide |
| ioxitalamic acid | [no description available] | low | 0 | 0 | acetamides;
benzoic acids;
dicarboxylic acid monoamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
| coprine | [no description available] | low | 0 | 0 | cyclopropanes;
dicarboxylic acid monoamide;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite;
mycotoxin |
| tamibarotene | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
retinoid;
tetralins | antineoplastic agent;
retinoic acid receptor alpha/beta agonist |
| mannopine | [no description available] | low | 0 | 0 | amino acid opine;
dicarboxylic acid monoamide;
hexitol derivative;
L-glutamine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound | plant metabolite |
| e 64 | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion | antimalarial;
antiparasitic agent;
protease inhibitor |
| melagatran | [no description available] | low | 0 | 0 | azetidines;
carboxamidine;
dicarboxylic acid monoamide;
non-proteinogenic alpha-amino acid;
secondary amino compound | anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
serine protease inhibitor |
| N-malonylanthranilic acid | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide | |
| 2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | low | 0 | 0 | adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid | adenosine A2A receptor agonist;
anti-inflammatory agent |
| maleamic acid | [no description available] | low | 0 | 0 | alpha,beta-unsaturated monocarboxylic acid;
dicarboxylic acid monoamide | bacterial xenobiotic metabolite;
Escherichia coli metabolite |
| cathestatin b | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound | antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite |
| EG00229 | [no description available] | low | 0 | 0 | benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes | angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist |
| fumimycin | [no description available] | low | 0 | 0 | 1-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol | antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor |
| dihydro-3-coumaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | Escherichia coli metabolite;
human xenobiotic metabolite |
| 2-(3-pyridine)acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridines | human xenobiotic metabolite |
| gamma-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid | human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule |
| 4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent |
| formic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
| aminooxyacetic acid | [no description available] | low | 0 | 0 | amino acid;
hydroxylamines;
monocarboxylic acid | anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent |
| 4-oxo-4-(3-pyridyl)butanoic acid | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
pyridines | |
| gamma-guanidinobutyric acid | [no description available] | low | 0 | 0 | guanidines;
monocarboxylic acid;
zwitterion | fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 1-aminocyclopropane-1-carboxylic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid | ethylene releasers;
plant metabolite |
| phosphonoacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phosphonic acids | antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor |
| 5,6-dihydroorotate | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide | |
| hydantoin-5-propionic acid | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione;
monocarboxylic acid | metabolite;
mouse metabolite |
| indoleacetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| phosphoenolpyruvate | [no description available] | low | 0 | 0 | carboxyalkyl phosphate;
monocarboxylic acid | fundamental metabolite |
| homovanillic acid | [no description available] | low | 0 | 0 | guaiacols;
monocarboxylic acid | human metabolite;
mouse metabolite |
| acemetacin | [no description available] | low | 0 | 0 | carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| alpha-methyl-m-tyrosine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| amlexanox | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
| baclofen | [no description available] | low | 0 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| bendazac | [no description available] | low | 0 | 0 | indazoles;
monocarboxylic acid | non-steroidal anti-inflammatory drug;
radical scavenger |
| metrizoate | [no description available] | low | 0 | 0 | monocarboxylic acid | radioopaque medium |
| cetirizine | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
| chlorambucil | [no description available] | low | 0 | 0 | aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound | alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent |
| chrysanthemic acid | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid | plant metabolite |
| ciprofibrate | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| diclofenac | [no description available] | low | 0 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| enoxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| etodolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organic heterotricyclic compound | antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 4-biphenylylacetic acid | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid | non-steroidal anti-inflammatory drug |
| fenoprofen | [no description available] | low | 0 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| fleroxacin | [no description available] | low | 0 | 0 | difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines | antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
| flurbiprofen | [no description available] | low | 0 | 0 | fluorobiphenyl;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| ibuprofen | [no description available] | low | 0 | 0 | monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic |
| ici 204448 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| indoprofen | [no description available] | low | 0 | 0 | gamma-lactam;
isoindoles;
monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| iopanoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| ketorolac | [no description available] | low | 0 | 0 | amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate | analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| loxoprofen | [no description available] | low | 0 | 0 | cyclopentanones;
monocarboxylic acid | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| meclofenoxate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sarkolysin | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| mesalamine | [no description available] | low | 0 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| nalidixic acid | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor |
| oxonic acid | [no description available] | low | 0 | 0 | 1,3,5-triazines;
monocarboxylic acid | |
| oxaprozin | [no description available] | low | 0 | 0 | 1,3-oxazoles;
monocarboxylic acid | analgesic;
non-steroidal anti-inflammatory drug |
| oxyphencyclimine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-phenylbutyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| pipemidic acid | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
| piromidic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound | antibacterial drug;
DNA synthesis inhibitor |
| SU5402 | [no description available] | low | 0 | 0 | monocarboxylic acid;
oxindoles;
pyrroles | fibroblast growth factor receptor antagonist |
| suprofen | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| suxibuzone | [no description available] | low | 0 | 0 | hemisuccinate;
monocarboxylic acid;
pyrazolidines | antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug |
| tiaprofenic acid | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | drug allergen;
non-steroidal anti-inflammatory drug |
| tolmetin | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
pyrroles | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
| tosufloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound | |
| zomepirac | [no description available] | low | 0 | 0 | aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles | cardiovascular drug;
non-steroidal anti-inflammatory drug |
| trichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | carcinogenic agent;
metabolite;
mouse metabolite |
| dichloroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound | astringent;
marine metabolite |
| bis(p-chlorophenyl)acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes | |
| fenoprop | [no description available] | low | 0 | 0 | monocarboxylic acid | phenoxy herbicide |
| piperonylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid | antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary |
| 2-methylvaleric acid | [no description available] | low | 0 | 0 | branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid | flavouring agent;
fragrance;
plant metabolite |
| cyclohexanecarboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| diphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | xenobiotic metabolite |
| amprotropine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| cyanoacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| difluoroacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound | |
| 5-methylpyrazole-3-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyrazoles | metabolite |
| hydantoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylglycine;
ureas | rat metabolite;
xenobiotic metabolite |
| abietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid;
monocarboxylic acid | plant metabolite |
| 3,5-dibromotyrosine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 3-aminobutyric acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
beta-amino acid;
monocarboxylic acid | metabolite |
| 4-carboxybenzaladehyde | [no description available] | low | 0 | 0 | benzaldehydes;
benzoic acids;
monocarboxylic acid | plant metabolite |
| 3-hydroxybenzeneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | human xenobiotic metabolite |
| methoxyacetic acid | [no description available] | low | 0 | 0 | ether;
monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen |
| dibromoacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid | apoptosis inducer;
geroprotector;
marine metabolite |
| hadacidin | [no description available] | low | 0 | 0 | aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent |
| 3-hydroxypicolinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monohydroxypyridine | MALDI matrix material |
| dihydroferulic acid | [no description available] | low | 0 | 0 | guaiacols;
monocarboxylic acid;
phenylpropanoid | antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite |
| ibufenac | [no description available] | low | 0 | 0 | monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| cyclopropanecarboxylic acid | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid | |
| (4-tert-Butyl-phenoxy)-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 3-methoxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-chlorophenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes | xenobiotic metabolite |
| 4-hydroxyphenoxyacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-(4-chlorophenoxy)propionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | phenoxy herbicide |
| bumadizone | [no description available] | low | 0 | 0 | carbohydrazide;
monocarboxylic acid | antipyretic;
non-steroidal anti-inflammatory drug |
| ochratoxin b | [no description available] | low | 0 | 0 | isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative | Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite |
| cyclohexaneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| glucoheptonate | [no description available] | low | 0 | 0 | carbohydrate acid;
monocarboxylic acid | metabolite |
| 6-methoxy-2-naphthylacetic acid | [no description available] | low | 0 | 0 | methoxynaphthalene;
monocarboxylic acid | drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite |
| 7-aminodesacetoxycephalosporanic acid | [no description available] | low | 0 | 0 | cephalosporin;
monocarboxylic acid | |
| carbidopa | [no description available] | low | 0 | 0 | catechols;
hydrazines;
monocarboxylic acid | antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| butyl(3-carboxypropyl)nitrosamine | [no description available] | low | 0 | 0 | monocarboxylic acid;
nitrosamine | carcinogenic agent |
| carbidopa | [no description available] | low | 0 | 0 | catechols;
hydrate;
hydrazines;
monocarboxylic acid | antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
| lonidamine | [no description available] | low | 0 | 0 | dichlorobenzene;
indazoles;
monocarboxylic acid | antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector |
| benoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes | antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | low | 0 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
| pefloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor |
| imazaquin | [no description available] | low | 0 | 0 | imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid | |
| difloxacin | [no description available] | low | 0 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
Mycoplasma genitalium metabolite |
| brequinar | [no description available] | low | 0 | 0 | biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid | anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor |
| temafloxacin | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound | |
| adapalene | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid | dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug |
| valsartan | [no description available] | low | 0 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| fenofibric acid | [no description available] | low | 0 | 0 | aromatic ketone;
chlorobenzophenone;
monocarboxylic acid | drug metabolite;
marine xenobiotic metabolite |
| salvin | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid | angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite |
| etofibrate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| fradafiban | [no description available] | low | 0 | 0 | carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones | platelet glycoprotein-IIb/IIIa receptor antagonist |
| phenylacetylglycine | [no description available] | low | 0 | 0 | monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine | human metabolite;
mouse metabolite |
| lonazolac | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
pyrazoles | antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| miroprofen | [no description available] | low | 0 | 0 | imidazopyridine;
monocarboxylic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor |
| flunoxaprofen | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound | antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist |
| tianeptine | [no description available] | low | 0 | 0 | dibenzothiazepine;
monocarboxylic acid;
organochlorine compound | |
| binifibrate | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 5-imidazolepropionic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | |
| aceclofenac | [no description available] | low | 0 | 0 | amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| gr 117289 | [no description available] | low | 0 | 0 | 1-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles | angiotensin receptor antagonist;
antihypertensive agent |
| alborixin | [no description available] | low | 0 | 0 | cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic | ionophore |
| madecassic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
tetrol | antioxidant;
plant metabolite |
| monotropein | [no description available] | low | 0 | 0 | beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative | anti-inflammatory agent;
metabolite |
| 3-(3,4-dimethoxyphenyl)propanoic acid | [no description available] | low | 0 | 0 | dimethoxybenzene;
monocarboxylic acid | |
| n-methylhippuric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
N-acylglycine | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| methylimidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | GABA agonist;
metabolite |
| 6-carboxyfluorescein | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4-(2-thienyl)butyric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
thiophenes | hapten |
| 3-(trimethylsilyl)propionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organosilicon compound | NMR chemical shift reference compound |
| ritalinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
piperidines | drug metabolite;
marine xenobiotic metabolite |
| indole-1-acetic acid | [no description available] | low | 0 | 0 | indolyl carboxylic acid;
monocarboxylic acid | |
| (1-hydroxycyclopentyl)phenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
tertiary alcohol | |
| quinclorac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid | agrochemical;
herbicide;
synthetic auxin |
| gypsogenin | [no description available] | low | 0 | 0 | aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin | |
| beta-hydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | 3-hydroxy carboxylic acid;
monocarboxylic acid | |
| salicylamide-2-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| dehydroabietic acid | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid | allergen;
metabolite |
| 2,6-dichloroisonicotinic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organochlorine compound;
pyridines | EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor |
| 1-phenazinecarboxylic acid | [no description available] | low | 0 | 0 | aromatic carboxylic acid;
monocarboxylic acid;
phenazines | antifungal agent;
antimicrobial agent;
bacterial metabolite |
| imidazoleacetic acid | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid | metabolite;
mouse metabolite |
| 2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid | [no description available] | low | 0 | 0 | imidothioate;
monocarboxylic acid | |
| 4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| asiatic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pentacyclic triterpenoid;
triol | angiogenesis modulating agent;
metabolite |
| bw 245c | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol | |
| 4-carboxyfluorescein | [no description available] | low | 0 | 0 | monocarboxylic acid | fluorochrome |
| vadimezan | [no description available] | low | 0 | 0 | monocarboxylic acid;
xanthones | antineoplastic agent |
| ectoine | [no description available] | low | 0 | 0 | 1,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion | osmolyte |
| chrysobactin | [no description available] | low | 0 | 0 | catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound | bacterial metabolite;
siderophore |
| cd 437 | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
| agn 190299 | [no description available] | low | 0 | 0 | monocarboxylic acid;
pyridines;
retinoid;
thiochromane | keratolytic drug;
teratogenic agent |
| 3-bromotyrosine | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| cox 189 | [no description available] | low | 0 | 0 | amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| naproxen | [no description available] | low | 0 | 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 |
| clofibride | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| carbazic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
one-carbon compound | |
| endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
trihydroxyanthraquinone | metabolite |
| acetyl aleuritolic acid | [no description available] | low | 0 | 0 | acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid | antineoplastic agent;
plant metabolite |
| delta-1-piperidine-6-carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
tetrahydropyridine | mammalian metabolite |
| 3-hydroxy-5-cholestenoic acid | [no description available] | low | 0 | 0 | 3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid | bacterial metabolite |
| 9-mercaptodethiobiotin | [no description available] | low | 0 | 0 | imidazolidinone;
monocarboxylic acid;
thiol;
ureas | Escherichia coli metabolite |
| proclavaminic acid | [no description available] | low | 0 | 0 | amino acid zwitterion;
azetidines;
monocarboxylic acid | |
| orantinib | [no description available] | low | 0 | 0 | monocarboxylic acid;
oxindoles;
pyrroles | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist |
| deferasirox | [no description available] | low | 0 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| sandaracopimaric acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid | plant metabolite |
| 7-methoxycoumarin-4-acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | fluorochrome |
| monensin | [no description available] | low | 0 | 0 | cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal | antifungal agent;
coccidiostat;
ionophore |
| isopimaric acid | [no description available] | low | 0 | 0 | carbotricyclic compound;
diterpenoid;
monocarboxylic acid | |
| nanaomycin a | [no description available] | low | 0 | 0 | benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones | bacterial metabolite |
| theogallin | [no description available] | low | 0 | 0 | gallate ester;
monocarboxylic acid;
tertiary alcohol | |
| pyochelin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
thiazolidines | metabolite;
siderophore |
| yersiniabactin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore |
| mycophenolic acid | [no description available] | low | 0 | 0 | 2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols | anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic |
| mupirocin | [no description available] | low | 0 | 0 | alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol | antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor |
| gw 409544 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| steviol | [no description available] | low | 0 | 0 | bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid | antineoplastic agent |
| bevirimat | [no description available] | low | 0 | 0 | dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 maturation inhibitor;
metabolite |
| bromochloroacetic acid | [no description available] | low | 0 | 0 | 2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound | |
| neurosporaxanthin | [no description available] | low | 0 | 0 | apo carotenoid C35 terpenoid;
monocarboxylic acid | |
| canrenoic acid | [no description available] | low | 0 | 0 | 3-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid | |
| dexketoprofen | [no description available] | low | 0 | 0 | benzophenones;
monocarboxylic acid | cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| 2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sulindac | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfoxide | analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent |
| epalrestat | [no description available] | low | 0 | 0 | monocarboxylic acid;
thiazolidines | EC 1.1.1.21 (aldehyde reductase) inhibitor |
| 2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| olivetolic acid | [no description available] | low | 0 | 0 | benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols | metabolite |
| 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| helvolic acid | [no description available] | low | 0 | 0 | 3-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid | antibacterial agent;
fungal metabolite;
mycotoxin |
| 6-oxopiperidine-2-carboxylate | [no description available] | low | 0 | 0 | delta-lactam;
monocarboxylic acid | bacterial metabolite |
| 3-sulfinopropionic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
organosulfinic acid | |
| amibegron | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| chuangxinmycin | [no description available] | low | 0 | 0 | indole alkaloid;
monocarboxylic acid;
thiinoindole | antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor |
| 5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 2-oxindole-3-acetic acid | [no description available] | low | 0 | 0 | indole-3-acetic acids;
monocarboxylic acid;
oxindoles | plant metabolite |
| gw 7647 | [no description available] | low | 0 | 0 | aryl sulfide;
monocarboxylic acid;
ureas | PPARalpha agonist |
| clopidogrel carboxylic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine | drug metabolite;
marine xenobiotic metabolite |
| 4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid | [no description available] | low | 0 | 0 | gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone | |
| 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| sm 21 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| dinoprost | [no description available] | low | 0 | 0 | monocarboxylic acid;
prostaglandins Falpha | human metabolite;
mouse metabolite |
| montelukast | [no description available] | low | 0 | 0 | aliphatic sulfide;
monocarboxylic acid;
quinolines | anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist |
| 16,16-dimethylprostaglandin e2 | [no description available] | low | 0 | 0 | cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol | anti-ulcer drug;
gastrointestinal drug;
radiation protective agent |
| iloprost | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
secondary alcohol | platelet aggregation inhibitor;
vasodilator agent |
| rosmarinic acid | [no description available] | low | 0 | 0 | carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol | antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor |
| 13,14-dihydroretinoic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
retinoid | |
| sulindac sulfide | [no description available] | low | 0 | 0 | aryl sulfide;
monocarboxylic acid;
organofluorine compound | antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug |
| lasalocid | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol | bacterial metabolite;
coccidiostat;
ionophore |
| sulindac sulfone | [no description available] | low | 0 | 0 | monocarboxylic acid;
organofluorine compound;
sulfone | apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
| robenacoxib | [no description available] | low | 0 | 0 | aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
| sdz eaa 494 | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound | anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist |
| valerenic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid | GABA modulator;
plant metabolite;
sedative;
volatile oil component |
| ici 215001 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| beraprost | [no description available] | low | 0 | 0 | enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol | anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent |
| gemifloxacin | [no description available] | low | 0 | 0 | 1,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic | antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor |
| brl 37344 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| cp533536 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| mre 269 | [no description available] | low | 0 | 0 | aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound | drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent |
| gw0742 | [no description available] | low | 0 | 0 | monocarboxylic acid | |
| 4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid | anti-inflammatory agent;
antineoplastic agent;
plant metabolite |
| carmine | [no description available] | low | 0 | 0 | C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone | animal metabolite;
histological dye |
| ki16425 | [no description available] | low | 0 | 0 | carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide | |
| myrsinoic acid b | [no description available] | low | 0 | 0 | 1-benzofurans;
monocarboxylic acid | anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite |
| triptohypol C | [no description available] | low | 0 | 0 | benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid | apoptosis inducer;
plant metabolite |
| artemisic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid | metabolite |
| tafamidis | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid | central nervous system drug |
| dihydroartemisinic acid | [no description available] | low | 0 | 0 | carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid | plant metabolite |
| finafloxacin | [no description available] | low | 0 | 0 | cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound | antibacterial drug;
antimicrobial agent |
| pyrostatin a | [no description available] | low | 0 | 0 | 1,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol | |
| roburic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid | plant metabolite |
| imidazoleacetic acid ribotide | [no description available] | low | 0 | 0 | imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate | |
| vanchrobactin | [no description available] | low | 0 | 0 | catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol | bacterial metabolite;
marine metabolite;
siderophore |
| spongia-13(16),14-dien-19-oic acid | [no description available] | low | 0 | 0 | cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid | androgen antagonist;
metabolite |
| borrelidin | [no description available] | low | 0 | 0 | aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol | antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite |
| germacra-1(10),4,11(13)-trien-12-oic acid | [no description available] | low | 0 | 0 | germacrane sesquiterpenoid;
monocarboxylic acid | |
| ascr#5 | [no description available] | low | 0 | 0 | monocarboxylic acid;
omega-hydroxy fatty acid ascaroside | Caenorhabditis elegans metabolite;
pheromone |
| tropodithietic acid | [no description available] | low | 0 | 0 | cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound | antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin |
| 3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid | antineoplastic agent;
metabolite |
| 3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | [no description available] | low | 0 | 0 | 11-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid | antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist |
| lesinurad | [no description available] | low | 0 | 0 | aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles | uricosuric drug |
| acrylamide | [no description available] | low | 0 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
| methacrylamide | [no description available] | low | 0 | 0 | acrylamides;
primary carboxamide | |
| naphthaleneacetamide | [no description available] | low | 0 | 0 | naphthalenes;
primary carboxamide | synthetic auxin |
| caproamide | [no description available] | low | 0 | 0 | primary carboxamide;
primary fatty amide | |
| ribavirin | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| vindesine | [no description available] | low | 0 | 0 | methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid | antineoplastic agent |
| 1,2,4-triazole-3-carboxamide | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
triazoles | drug metabolite;
human urinary metabolite |
| n-acetyltryptophanamide | [no description available] | low | 0 | 0 | acetamides;
L-tryptophan derivative;
primary carboxamide;
secondary carboxamide | |
| ribavirin 5'-diphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose monophosphate | antiviral agent;
drug metabolite;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
human blood serum metabolite |
| ribavirin 5'-triphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose triphosphate | antiviral agent;
drug metabolite;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
eukaryotic initiation factor 4F inhibitor;
human blood serum metabolite |
| ribavirin 5'-diphosphate | [no description available] | low | 0 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide;
ribose diphosphate | antiviral agent;
drug metabolite |
| 2-cyano-2-cyclohexylideneacetamide | [no description available] | low | 0 | 0 | primary carboxamide | |
| favipiravir | [no description available] | low | 0 | 0 | hydroxypyrazine;
organofluorine compound;
primary carboxamide | anticoronaviral agent;
antiviral drug;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor |
| cefsulodin | [no description available] | low | 0 | 0 | cephalosporin;
organosulfonic acid;
primary carboxamide | antibacterial drug |
| N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide | [no description available] | low | 0 | 0 | primary carboxamide;
pyrazines;
secondary carboxamide | |
| CHIC-35 | [no description available] | low | 0 | 0 | aromatic compound;
organic heterotricyclic compound;
organochlorine compound;
primary carboxamide | EC 3.5.1.98 (histone deacetylase) inhibitor |
| furylfuramide | [no description available] | low | 0 | 0 | acrylamides;
C-nitro compound;
nitrofuran antibiotic;
primary carboxamide | |
| gilteritinib | [no description available] | low | 0 | 0 | aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
| pelabresib | [no description available] | low | 0 | 0 | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor |