| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|
| nonivamide | [no description available] | medium | 1 | 0 | capsaicinoid;
phenols | lachrymator |
| N-octylhomovanillamide | [no description available] | medium | 1 | 0 | guaiacols;
monocarboxylic acid amide | protective agent |
| menthol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid;
secondary alcohol | volatile oil component |
| gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic |
| camphora | [no description available] | medium | 1 | 0 | camphor | |
| cinnamaldehyde | [no description available] | medium | 1 | 0 | 3-phenylprop-2-enal;
cinnamaldehydes | antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent |
| capsaicin | [no description available] | medium | 13 | 0 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| capsaicin | [no description available] | medium | 13 | 3 | capsaicinoid | non-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker |
| aminolevulinic acid | [no description available] | medium | 1 | 0 | 4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid | antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite |
| coumarin | [no description available] | medium | 1 | 0 | coumarins | fluorescent dye;
human metabolite;
plant metabolite |
| salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite |
| thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes;
heterocyclic fatty acid;
thia fatty acid | fundamental metabolite;
geroprotector |
| picolinic acid | [no description available] | medium | 1 | 0 | pyridinemonocarboxylic acid | human metabolite;
MALDI matrix material |
| thiamine | [no description available] | medium | 1 | 0 | primary alcohol;
vitamin B1 | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
| 3-aminobenzamide | [no description available] | medium | 1 | 0 | benzamides;
substituted aniline | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| pleconaril | [no description available] | medium | 1 | 0 | | |
| 4-(2-aminoethyl)benzenesulfonylfluoride | [no description available] | medium | 1 | 0 | | |
| phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent |
| acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
sulfonamide;
thiadiazoles | anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| alprenolol | [no description available] | medium | 1 | 0 | secondary alcohol;
secondary amino compound | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent |
| amantadine | [no description available] | medium | 1 | 0 | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic |
| 2-aminothiazole | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
primary amino compound | |
| amodiaquine | [no description available] | medium | 1 | 0 | aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug |
| aspirin | [no description available] | medium | 1 | 0 | benzoic acids;
phenyl acetates;
salicylates | anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent |
| baclofen | [no description available] | medium | 1 | 0 | amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound | central nervous system depressant;
GABA agonist;
muscle relaxant |
| benzamide | [no description available] | medium | 1 | 0 | benzamides | |
| camostat | [no description available] | medium | 1 | 0 | benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide | anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor |
| camphor, (+-)-isomer | [no description available] | medium | 1 | 0 | bornane monoterpenoid;
cyclic monoterpene ketone | plant metabolite |
| candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| cetylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | |
| chloroxylenol | [no description available] | medium | 1 | 0 | monochlorobenzenes;
phenols | antiseptic drug;
disinfectant;
molluscicide |
| chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
| ciprofibrate | [no description available] | medium | 1 | 0 | cyclopropanes;
monocarboxylic acid;
organochlorine compound | antilipemic drug |
| clomipramine | [no description available] | medium | 1 | 0 | dibenzoazepine | anticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor |
| danthron | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | apoptosis inducer;
plant metabolite |
| deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
| dipyridamole | [no description available] | medium | 1 | 0 | piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol | adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent |
| disulfiram | [no description available] | medium | 1 | 0 | organic disulfide;
organosulfur acaricide | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor |
| valproic acid | [no description available] | medium | 1 | 0 | branched-chain fatty acid;
branched-chain saturated fatty acid | anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent |
| doxazosin | [no description available] | medium | 1 | 0 | aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines | alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent |
| ebselen | [no description available] | medium | 1 | 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 |
| etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent;
bone density conservation agent;
chelator |
| 2-hexyloxybenzamide | [no description available] | medium | 1 | 0 | aromatic ether;
benzamides | antifungal agent |
| brl 42810 | [no description available] | medium | 1 | 0 | 2-aminopurines;
acetate ester | antiviral drug;
prodrug |
| fluphenazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
organofluorine compound;
phenothiazines | anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
| fluorouracil | [no description available] | medium | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
| gabexate | [no description available] | medium | 1 | 0 | benzoate ester | |
| glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
| fasudil | [no description available] | medium | 1 | 0 | isoquinolines;
N-sulfonyldiazepane | antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent |
| haloperidol | [no description available] | medium | 1 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
| miltefosine | [no description available] | medium | 1 | 0 | phosphocholines;
phospholipid | anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor |
| hexylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
| beta-thujaplicin | [no description available] | medium | 1 | 0 | cyclic ketone;
enol;
monoterpenoid | antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite |
| hycanthone | [no description available] | medium | 1 | 0 | thioxanthenes | mutagen;
schistosomicide drug |
| hydrochlorothiazide | [no description available] | medium | 1 | 0 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
| hydroxyurea | [no description available] | medium | 1 | 0 | one-carbon compound;
ureas | antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent |
| ibuprofen | [no description available] | medium | 1 | 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 |
| indomethacin | [no description available] | medium | 1 | 0 | aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole | analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic |
| avapro | [no description available] | medium | 1 | 0 | azaspiro compound;
biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| itraconazole | [no description available] | medium | 1 | 0 | piperazines | |
| kojic acid | [no description available] | medium | 1 | 0 | 4-pyranones;
enol;
primary alcohol | Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent |
| lapachol | [no description available] | medium | 1 | 0 | | |
| loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
| loratadine | [no description available] | medium | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
| losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
imidazoles | angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist |
| 4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide | [no description available] | medium | 1 | 0 | benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
| methazolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiadiazoles | |
| methocarbamol | [no description available] | medium | 1 | 0 | aromatic ether;
carbamate ester;
secondary alcohol | |
| mitoxantrone | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | analgesic;
antineoplastic agent |
| entinostat | [no description available] | medium | 1 | 0 | benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor |
| nabumetone | [no description available] | medium | 1 | 0 | methoxynaphthalene;
methyl ketone | cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| nafamostat | [no description available] | medium | 1 | 0 | benzoic acids;
guanidines | |
| nevirapine | [no description available] | medium | 1 | 0 | cyclopropanes;
dipyridodiazepine | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| omeprazole | [no description available] | medium | 1 | 0 | aromatic ether;
benzimidazoles;
pyridines;
sulfoxide | |
| osalmide | [no description available] | medium | 1 | 0 | organic molecular entity | |
| oxethazaine | [no description available] | medium | 1 | 0 | amino acid amide | |
| palmidrol | [no description available] | medium | 1 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine | anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent |
| papaverine | [no description available] | medium | 1 | 0 | benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines | antispasmodic drug;
vasodilator agent |
| pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
| perhexiline | [no description available] | medium | 1 | 0 | piperidines | cardiovascular drug |
| phenazopyridine | [no description available] | medium | 1 | 0 | diaminopyridine;
monoazo compound | anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic |
| 4-phenylbutyric acid | [no description available] | medium | 1 | 0 | monocarboxylic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug |
| phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
| pimobendan | [no description available] | medium | 1 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
| pj-34 | [no description available] | medium | 1 | 0 | phenanthridines;
secondary carboxamide;
tertiary amino compound | angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent |
| praziquantel | [no description available] | medium | 1 | 0 | isoquinolines | |
| probenecid | [no description available] | medium | 1 | 0 | benzoic acids;
sulfonamide | uricosuric drug |
| probucol | [no description available] | medium | 1 | 0 | dithioketal;
polyphenol | anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug |
| promazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
| promethazine | [no description available] | medium | 1 | 0 | phenothiazines;
tertiary amine | anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative |
| propranolol | [no description available] | medium | 1 | 0 | naphthalenes;
propanolamine;
secondary amine | anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic |
| rimantadine | [no description available] | medium | 1 | 0 | alkylamine | |
| rolipram | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | antidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor |
| scriptaid | [no description available] | medium | 1 | 0 | isoquinolines | |
| sebacic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid | human metabolite;
plant metabolite |
| fenofibrate | [no description available] | medium | 1 | 0 | benzochromenone;
delta-lactone;
naphtho-alpha-pyrone | platelet aggregation inhibitor;
Sir2 inhibitor |
| imatinib | [no description available] | medium | 1 | 0 | aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines | antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor |
| suprofen | [no description available] | medium | 1 | 0 | aromatic ketone;
monocarboxylic acid;
thiophenes | antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
| thalidomide | [no description available] | medium | 1 | 0 | phthalimides;
piperidones | |
| ticlopidine | [no description available] | medium | 1 | 0 | monochlorobenzenes;
thienopyridine | anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor |
| triamterene | [no description available] | medium | 1 | 0 | pteridines | diuretic;
sodium channel blocker |
| trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines | antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug |
| triflupromazine | [no description available] | medium | 1 | 0 | organofluorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic |
| trigonelline | [no description available] | medium | 1 | 0 | alkaloid;
iminium betaine | food component;
human urinary metabolite;
plant metabolite |
| trimethobenzamide | [no description available] | medium | 1 | 0 | benzamides;
tertiary amino compound | antiemetic |
| trimethoprim | [no description available] | medium | 1 | 0 | aminopyrimidine;
methoxybenzenes | antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic |
| tyrphostin a9 | [no description available] | medium | 1 | 0 | alkylbenzene | geroprotector |
| delavirdine | [no description available] | medium | 1 | 0 | aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| vesnarinone | [no description available] | medium | 1 | 0 | organic molecular entity | |
| idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound;
pyrimidine 2'-deoxyribonucleoside | antiviral drug;
DNA synthesis inhibitor |
| chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound;
carboxamide;
diol;
organochlorine compound | antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor |
| lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid | algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| phenylethyl alcohol | [no description available] | medium | 1 | 0 | benzenes;
primary alcohol | Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite |
| zoxazolamine | [no description available] | medium | 1 | 0 | benzoxazole | |
| cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol | anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor |
| ficusin | [no description available] | medium | 1 | 0 | psoralens | plant metabolite |
| tubercidin | [no description available] | medium | 1 | 0 | antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside | antimetabolite;
antineoplastic agent;
bacterial metabolite |
| trifluridine | [no description available] | medium | 1 | 0 | nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor |
| 9,10-anthraquinone | [no description available] | medium | 1 | 0 | anthraquinone | |
| salicylanilide | [no description available] | medium | 1 | 0 | benzanilide fungicide;
salicylamides;
salicylanilides | |
| gramine | [no description available] | medium | 1 | 0 | aminoalkylindole;
indole alkaloid;
tertiary amino compound | antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist |
| aminacrine | [no description available] | medium | 1 | 0 | aminoacridines;
primary amino compound | acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen |
| methyl gallate | [no description available] | medium | 1 | 0 | gallate ester | anti-inflammatory agent;
antioxidant;
plant metabolite |
| monobenzone | [no description available] | medium | 1 | 0 | benzyl ether | allergen;
dermatologic drug;
melanin synthesis inhibitor |
| ditiocarb | [no description available] | medium | 1 | 0 | dithiocarbamic acids | chelator;
copper chelator |
| catechin | [no description available] | medium | 1 | 0 | catechin | antioxidant;
plant metabolite |
| azacitidine | [no description available] | medium | 1 | 0 | N-glycosyl-1,3,5-triazine;
nucleoside analogue | antineoplastic agent |
| lucanthone | [no description available] | medium | 1 | 0 | thioxanthenes | adjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug |
| cepharanthine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| aloe emodin | [no description available] | medium | 1 | 0 | aromatic primary alcohol;
dihydroxyanthraquinone | antineoplastic agent;
plant metabolite |
| chrysophanic acid | [no description available] | medium | 1 | 0 | dihydroxyanthraquinone | anti-inflammatory agent;
antiviral agent;
plant metabolite |
| emetine | [no description available] | medium | 1 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
| osthol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent;
coumarins | metabolite |
| flavanone | [no description available] | medium | 1 | 0 | flavanones | |
| phloretic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid | plant metabolite |
| oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | plant metabolite |
| angelicin | [no description available] | medium | 1 | 0 | furanocoumarin | |
| diperodon | [no description available] | medium | 1 | 0 | carbamate ester | |
| megestrol acetate | [no description available] | medium | 1 | 0 | 20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester | antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive |
| acetylcysteine | [no description available] | medium | 1 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
| hydroxychloroquine sulfate | [no description available] | medium | 1 | 0 | | |
| ethambutol | [no description available] | medium | 1 | 0 | ethanolamines;
ethylenediamine derivative | antitubercular agent;
environmental contaminant;
xenobiotic |
| metformin hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | environmental contaminant;
hypoglycemic agent;
xenobiotic |
| antimycin a | [no description available] | medium | 1 | 0 | benzamides;
formamides;
macrodiolide;
phenols | antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide |
| 5,5'-dimethyl-2,2'-bipyridyl | [no description available] | medium | 1 | 0 | bipyridines | |
| dichlorobenzyl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols;
dichlorobenzene | antiseptic drug |
| stavudine | [no description available] | medium | 1 | 0 | dihydrofuran;
nucleoside analogue;
organic molecular entity | antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| dideoxyadenosine | [no description available] | medium | 1 | 0 | adenosines;
purine 2',3'-dideoxyribonucleoside | EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor |
| vidarabine | [no description available] | medium | 1 | 0 | beta-D-arabinoside;
purine nucleoside | antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic |
| 3-deazaadenosine | [no description available] | medium | 1 | 0 | | |
| zalcitabine | [no description available] | medium | 1 | 0 | pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| ancitabine | [no description available] | medium | 1 | 0 | diol;
organic heterotricyclic compound | antimetabolite;
antineoplastic agent;
prodrug |
| chloropyramine | [no description available] | medium | 1 | 0 | aminopyridine | |
| levamisole | [no description available] | medium | 1 | 0 | 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | antinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator |
| n'-nitrosonornicotine | [no description available] | medium | 1 | 0 | pyridines;
pyrrolidines | |
| daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones | antineoplastic agent;
bacterial metabolite |
| zidovudine | [no description available] | medium | 1 | 0 | azide;
pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| ribavirin | [no description available] | medium | 1 | 0 | 1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide | anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| pyridoxal phosphate | [no description available] | medium | 1 | 0 | pyridinecarbaldehyde | |
| nitazoxanide | [no description available] | medium | 1 | 0 | benzamides;
carboxylic ester | |
| captopril | [no description available] | medium | 1 | 0 | alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| oltipraz | [no description available] | medium | 1 | 0 | 1,2-dithiole;
pyrazines | angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug |
| fiacitabine | [no description available] | medium | 1 | 0 | | |
| ranolazine | [no description available] | medium | 1 | 0 | aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol | |
| brequinar | [no description available] | medium | 1 | 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 |
| imiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | antineoplastic agent;
interferon inducer |
| adefovir | [no description available] | medium | 1 | 0 | 6-aminopurines;
ether;
phosphonic acids | antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent |
| cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids;
pyrimidone | anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent |
| celgosivir | [no description available] | medium | 1 | 0 | | |
| gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound;
pyrimidine 2'-deoxyribonucleoside | antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic |
| lamivudine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol | allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| valsartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| zanamivir | [no description available] | medium | 1 | 0 | guanidines | antiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
| adefovir dipivoxil | [no description available] | medium | 1 | 0 | 6-aminopurines;
carbonate ester;
ether;
organic phosphonate | antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug |
| emtricitabine | [no description available] | medium | 1 | 0 | monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| octyl gallate | [no description available] | medium | 1 | 0 | gallate ester | food antioxidant;
hypoglycemic agent;
plant metabolite |
| efavirenz | [no description available] | medium | 1 | 0 | acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound | antiviral drug;
HIV-1 reverse transcriptase inhibitor |
| nelfinavir | [no description available] | medium | 1 | 0 | aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound | antineoplastic agent;
HIV protease inhibitor |
| betulinic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite |
| arctigenin | [no description available] | medium | 1 | 0 | lignan | |
| baicalin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative | antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug |
| plerixafor | [no description available] | medium | 1 | 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 |
| amprenavir | [no description available] | medium | 1 | 0 | carbamate ester;
sulfonamide;
tetrahydrofuryl ester | antiviral drug;
HIV protease inhibitor |
| oseltamivir | [no description available] | medium | 1 | 0 | acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic |
| epigallocatechin gallate | [no description available] | medium | 1 | 0 | flavans;
gallate ester;
polyphenol | antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite |
| 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose | [no description available] | medium | 1 | 0 | gallate ester;
galloyl beta-D-glucose | anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger |
| cephalotaxine | [no description available] | medium | 1 | 0 | benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound | |
| desipramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | drug allergen |
| mefloquine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
| aloxistatin | [no description available] | medium | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
| propazole | [no description available] | medium | 1 | 0 | benzimidazoles | |
| prulifloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic;
quinolone antibiotic | |
| telmisartan | [no description available] | medium | 1 | 0 | benzimidazoles;
biphenyls;
carboxybiphenyl | angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic |
| bergenin | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | metabolite |
| zoledronic acid | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid);
imidazoles | bone density conservation agent |
| artemisinin | [no description available] | medium | 1 | 0 | organic peroxide;
sesquiterpene lactone | antimalarial;
plant metabolite |
| brinzolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thienothiazine | antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| dipropylacetamide | [no description available] | medium | 1 | 0 | fatty amide | geroprotector;
metabolite;
teratogenic agent |
| oxprenolol hydrochloride | [no description available] | medium | 1 | 0 | | |
| opipramol hydrochloride | [no description available] | medium | 1 | 0 | | |
| moroxydine | [no description available] | medium | 1 | 0 | biguanides | |
| thioxolone | [no description available] | medium | 1 | 0 | benzoxathiole | antiseborrheic |
| honokiol | [no description available] | medium | 1 | 0 | biphenyls | |
| nobiletin | [no description available] | medium | 1 | 0 | methoxyflavone | antineoplastic agent;
plant metabolite |
| lycorine | [no description available] | medium | 1 | 0 | indolizidine alkaloid | anticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor |
| leupeptin | [no description available] | medium | 1 | 0 | aldehyde;
tripeptide | bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor |
| tetrandrine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| calpeptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| fangchinoline | [no description available] | medium | 1 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle | anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite |
| maslinic acid | [no description available] | medium | 1 | 0 | dihydroxy monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| atovaquone | [no description available] | medium | 1 | 0 | hydroxy-1,2-naphthoquinone | |
| loganin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol | anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite |
| moexipril | [no description available] | medium | 1 | 0 | peptide | |
| aucubin | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
| catalpol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
| lekoptin | [no description available] | medium | 1 | 0 | 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | |
| n-methyladenosine | [no description available] | medium | 1 | 0 | methyladenosine | |
| sivelestat | [no description available] | medium | 1 | 0 | N-acylglycine;
pivalate ester | |
| pyronaridine | [no description available] | medium | 1 | 0 | aminoquinoline | |
| geniposide | [no description available] | medium | 1 | 0 | terpene glycoside | |
| daidzin | [no description available] | medium | 1 | 0 | 7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative | plant metabolite |
| sophocarpine | [no description available] | medium | 1 | 0 | | |
| marimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
secondary carboxamide | antineoplastic agent;
matrix metalloproteinase inhibitor |
| elacridar | [no description available] | medium | 1 | 0 | | |
| celastrol | [no description available] | medium | 1 | 0 | monocarboxylic acid;
pentacyclic triterpenoid | anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite |
| n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine | [no description available] | medium | 1 | 0 | leucine derivative | |
| vadimezan | [no description available] | medium | 1 | 0 | monocarboxylic acid;
xanthones | antineoplastic agent |
| e 64 | [no description available] | medium | 1 | 0 | dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion | antimalarial;
antiparasitic agent;
protease inhibitor |
| umifenovir | [no description available] | medium | 1 | 0 | indolyl carboxylic acid | |
| safinamide | [no description available] | medium | 1 | 0 | amino acid amide | |
| ilomastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent |
| atazanavir | [no description available] | medium | 1 | 0 | carbohydrazide | antiviral drug;
HIV protease inhibitor |
| vx 497 | [no description available] | medium | 1 | 0 | | |
| bcx 1812 | [no description available] | medium | 1 | 0 | 3-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines | antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
| naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist;
antihypertensive agent |
| telbivudine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| celastrol methyl ester | [no description available] | medium | 1 | 0 | carboxylic ester | |
| resiquimod | [no description available] | medium | 1 | 0 | imidazoquinoline | |
| tanshinone ii a | [no description available] | medium | 1 | 0 | abietane diterpenoid | |
| anacardic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid;
hydroxybenzoic acid | anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite |
| migalastat | [no description available] | medium | 1 | 0 | piperidines | |
| erlotinib | [no description available] | medium | 1 | 0 | aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound | antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor |
| limonin | [no description available] | medium | 1 | 0 | epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound | inhibitor;
metabolite;
volatile oil component |
| scutellarin | [no description available] | medium | 1 | 0 | glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antineoplastic agent;
proteasome inhibitor |
| etravirine | [no description available] | medium | 1 | 0 | aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound | antiviral agent;
HIV-1 reverse transcriptase inhibitor |
| chelidonine | [no description available] | medium | 1 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
| 4-n-butylresorcinol | [no description available] | medium | 1 | 0 | resorcinols | |
| darunavir | [no description available] | medium | 1 | 0 | carbamate ester;
furofuran;
sulfonamide | antiviral drug;
HIV protease inhibitor |
| dapivirine | [no description available] | medium | 1 | 0 | | |
| nsc 74859 | [no description available] | medium | 1 | 0 | amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester | STAT3 inhibitor |
| berbamine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines | |
| u-104 | [no description available] | medium | 1 | 0 | | |
| 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one | [no description available] | medium | 1 | 0 | glycoside | |
| bortezomib | [no description available] | medium | 1 | 0 | amino acid amide;
L-phenylalanine derivative;
pyrazines | antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor |
| ritonavir | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
| tizoxanide | [no description available] | medium | 1 | 0 | salicylamides | |
| arbutin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
monosaccharide derivative | Escherichia coli metabolite;
plant metabolite |
| quinidine | [no description available] | medium | 1 | 0 | cinchona alkaloid | alpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker |
| conessine | [no description available] | medium | 1 | 0 | steroid alkaloid;
tertiary amino compound | antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite |
| saquinavir | [no description available] | medium | 1 | 0 | L-asparagine derivative;
quinolines | antiviral drug;
HIV protease inhibitor |
| abacavir | [no description available] | medium | 1 | 0 | 2,6-diaminopurines | antiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor |
| linezolid | [no description available] | medium | 1 | 0 | acetamides;
morpholines;
organofluorine compound;
oxazolidinone | antibacterial drug;
protein synthesis inhibitor |
| cephaelin | [no description available] | medium | 1 | 0 | pyridoisoquinoline | |
| (-)-usnic acid | [no description available] | medium | 1 | 0 | usnic acid | EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor |
| acetylleucyl-leucyl-norleucinal | [no description available] | medium | 1 | 0 | aldehyde;
tripeptide | cysteine protease inhibitor |
| resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
| tacrolimus | [no description available] | medium | 1 | 0 | macrolide lactam | bacterial metabolite;
immunosuppressive agent |
| lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant;
plant metabolite |
| zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug;
environmental contaminant;
xenobiotic |
| roflumilast | [no description available] | medium | 1 | 0 | aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound | anti-asthmatic drug;
phosphodiesterase IV inhibitor |
| L-cycloserine | [no description available] | medium | 1 | 0 | 4-amino-1,2-oxazolidin-3-one | anti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor |
| h 89 | [no description available] | medium | 1 | 0 | N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide | |
| bevirimat | [no description available] | medium | 1 | 0 | dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid | HIV-1 maturation inhibitor;
metabolite |
| benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde;
carbamate ester;
tripeptide | proteasome inhibitor |
| tenofovir | [no description available] | medium | 1 | 0 | nucleoside analogue;
phosphonic acids | antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor |
| posaconazole | [no description available] | medium | 1 | 0 | aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles | trypanocidal drug |
| gw 257406x | [no description available] | medium | 1 | 0 | | |
| shikonin | [no description available] | medium | 1 | 0 | hydroxy-1,4-naphthoquinone | |
| 4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide | [no description available] | medium | 1 | 0 | tropane alkaloid | |
| cmx 001 | [no description available] | medium | 1 | 0 | | |
| amd 8664 | [no description available] | medium | 1 | 0 | | |
| bay 41-4109 | [no description available] | medium | 1 | 0 | | |
| bay 57-1293 | [no description available] | medium | 1 | 0 | | |
| 2'-c-methylcytidine | [no description available] | medium | 1 | 0 | | |
| isoxanthohumol | [no description available] | medium | 1 | 0 | flavanones | |
| 4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide | [no description available] | medium | 1 | 0 | aromatic ether | |
| mecarbinate | [no description available] | medium | 1 | 0 | | |
| acetyl-aspartyl-glutamyl-valyl-aspartal | [no description available] | medium | 1 | 0 | tetrapeptide | protease inhibitor |
| octotropine methylbromide | [no description available] | medium | 1 | 0 | | |
| mercaptopurine | [no description available] | medium | 1 | 0 | aryl thiol;
purines;
thiocarbonyl compound | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| jrf 12 | [no description available] | medium | 1 | 0 | | |
| 3,4'-dihydroxyflavone | [no description available] | medium | 1 | 0 | | |
| 3-(3,4-dimethoxyphenyl)propenoic acid | [no description available] | medium | 1 | 0 | methoxycinnamic acid | |
| isoferulic acid | [no description available] | medium | 1 | 0 | ferulic acids | antioxidant;
biomarker;
metabolite |
| cyclouridine | [no description available] | medium | 1 | 0 | | |
| curcumin | [no description available] | medium | 2 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
| nbd 556 | [no description available] | medium | 1 | 0 | | |
| thioguanine anhydrous | [no description available] | medium | 1 | 0 | 2-aminopurines | anticoronaviral agent;
antimetabolite;
antineoplastic agent |
| 4,5,6,7-tetrachloroindan-1,3-dione | [no description available] | medium | 1 | 0 | | |
| srpin340 | [no description available] | medium | 1 | 0 | | |
| pr-619 | [no description available] | medium | 1 | 0 | | |
| p5091 | [no description available] | medium | 1 | 0 | | |
| trovirdine | [no description available] | medium | 1 | 0 | | |
| fti 277 | [no description available] | medium | 1 | 0 | | |
| u 0126 | [no description available] | medium | 1 | 0 | aryl sulfide;
dinitrile;
enamine;
substituted aniline | antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent |
| vicriviroc | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes | |
| telaprevir | [no description available] | medium | 1 | 0 | cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| orlistat | [no description available] | medium | 1 | 0 | beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative | anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor |
| dasatinib | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
| yya-021 | [no description available] | medium | 1 | 0 | | |
| sb 415286 | [no description available] | medium | 1 | 0 | C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline | antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent |
| sitagliptin | [no description available] | medium | 1 | 0 | triazolopyrazine;
trifluorobenzene | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic |
| tak-220 | [no description available] | medium | 1 | 0 | | |
| jtk-303 | [no description available] | medium | 1 | 0 | aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone | HIV-1 integrase inhibitor |
| nbd 557 | [no description available] | medium | 1 | 0 | | |
| 5'-o-caffeoylquinic acid | [no description available] | medium | 1 | 0 | cinnamate ester;
cyclitol carboxylic acid | plant metabolite |
| luteolin-7-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone | antioxidant;
plant metabolite |
| cyclosporine | [no description available] | medium | 1 | 0 | | |
| harmine | [no description available] | medium | 1 | 0 | harmala alkaloid | anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite |
| eprosartan | [no description available] | medium | 1 | 0 | dicarboxylic acid;
imidazoles;
thiophenes | angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic |
| mycophenolate mofetil | [no description available] | medium | 1 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
| entacapone | [no description available] | medium | 1 | 0 | 2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor |
| amentoflavone | [no description available] | medium | 1 | 0 | biflavonoid;
hydroxyflavone;
ring assembly | angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite |
| baicalein | [no description available] | medium | 1 | 0 | trihydroxyflavone | angiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger |
| genkwanin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | metabolite |
| hyperoside | [no description available] | medium | 1 | 0 | beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone | hepatoprotective agent;
plant metabolite |
| mangostin | [no description available] | medium | 1 | 0 | aromatic ether;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite |
| 3-methylquercetin | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone | anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite |
| kaempferide | [no description available] | medium | 1 | 0 | 7-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone | antihypertensive agent;
metabolite |
| orientin | [no description available] | medium | 1 | 0 | 3'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone | antioxidant;
metabolite |
| scutellarein | [no description available] | medium | 1 | 0 | tetrahydroxyflavone | metabolite |
| trans-2,3',4,5'-tetrahydroxystilbene | [no description available] | medium | 1 | 0 | stilbenoid | |
| polydatin | [no description available] | medium | 1 | 0 | beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid | anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator |
| chicoric acid | [no description available] | medium | 1 | 0 | organooxygen compound | geroprotector;
HIV-1 integrase inhibitor |
| acteoside | [no description available] | medium | 1 | 0 | catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol | anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite |
| dorzolamide | [no description available] | medium | 1 | 0 | sulfonamide;
thiophenes | antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
| topiramate | [no description available] | medium | 1 | 0 | cyclic ketal;
ketohexose derivative;
sulfamate ester | anticonvulsant;
sodium channel blocker |
| benzyloxycarbonyl-phe-ala-fluormethylketone | [no description available] | medium | 1 | 0 | | |
| n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester | [no description available] | medium | 1 | 0 | carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester | EC 3.4.23.46 (memapsin 2) inhibitor |
| casticin | [no description available] | medium | 1 | 0 | dihydroxyflavone;
tetramethoxyflavone | apoptosis inducer;
plant metabolite |
| 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | medium | 1 | 0 | dihydroxyflavone;
monomethoxyflavone | antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor |
| (E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside | [no description available] | medium | 1 | 0 | beta-D-glucoside;
resorcinols;
stilbenoid | anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor |
| tyrphostin ag 555 | [no description available] | medium | 1 | 0 | | |
| pd 151746 | [no description available] | medium | 1 | 0 | | |
| lisinopril | [no description available] | medium | 1 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| verteporfin | [no description available] | medium | 1 | 0 | | |
| batimastat | [no description available] | medium | 1 | 0 | hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide | angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor |
| indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide | HIV protease inhibitor |
| solanesol | [no description available] | medium | 1 | 0 | nonaprenol;
primary alcohol | plant metabolite |
| pepstatin | [no description available] | medium | 1 | 0 | pentapeptide;
secondary carboxamide | bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor |
| l 685458 | [no description available] | medium | 1 | 0 | carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic |
| bms 806 | [no description available] | medium | 1 | 0 | | |
| benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone | [no description available] | medium | 1 | 0 | | |
| tulobuterol hydrochloride | [no description available] | medium | 1 | 0 | organic molecular entity | |
| salubrinal | [no description available] | medium | 1 | 0 | aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas | |
| germacrone | [no description available] | medium | 1 | 0 | germacrane sesquiterpenoid;
olefinic compound | androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component |
| (2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid | [no description available] | medium | 1 | 0 | | |
| lithospermic acid | [no description available] | medium | 1 | 0 | | |
| laq824 | [no description available] | medium | 1 | 0 | | |
| ekb 569 | [no description available] | medium | 1 | 0 | aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile | protein kinase inhibitor |
| rilpivirine | [no description available] | medium | 1 | 0 | aminopyrimidine;
nitrile | EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor |
| (1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one | [no description available] | medium | 1 | 0 | germacranolide | |
| 4,5-di-O-caffeoylquinic acid | [no description available] | medium | 1 | 0 | quinic acid | |
| indigo carmine | [no description available] | medium | 1 | 0 | | |
| artesunate | [no description available] | medium | 1 | 0 | artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid | antimalarial;
antineoplastic agent;
ferroptosis inducer |
| (3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | [no description available] | medium | 1 | 0 | oligopeptide | |
| vildagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| belinostat | [no description available] | medium | 1 | 0 | hydroxamic acid;
olefinic compound;
sulfonamide | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| hdac-42 | [no description available] | medium | 1 | 0 | amidobenzoic acid | |
| chlorhexidine | [no description available] | medium | 1 | 0 | biguanides;
monochlorobenzenes | antibacterial agent;
antiinfective agent |
| gs-7340 | [no description available] | medium | 1 | 0 | 6-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester | antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug |
| iniparib | [no description available] | medium | 1 | 0 | carbonyl compound;
organohalogen compound | |
| n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide | [no description available] | medium | 1 | 0 | | |
| pri-2205 | [no description available] | medium | 1 | 0 | | |
| mk 0752 | [no description available] | medium | 1 | 0 | | |
| givinostat | [no description available] | medium | 1 | 0 | carbamate ester | |
| pd 144418 | [no description available] | medium | 1 | 0 | | |
| bicyclol | [no description available] | medium | 1 | 0 | | |
| midostaurin | [no description available] | medium | 1 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
| ly 450139 | [no description available] | medium | 1 | 0 | peptide | |
| mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline | antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent |
| rivaroxaban | [no description available] | medium | 1 | 0 | aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| sb 3ct compound | [no description available] | medium | 1 | 0 | aromatic ether | |
| ginsenoside rb1 | [no description available] | medium | 1 | 0 | ginsenoside;
glycoside;
tetracyclic triterpenoid | anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger |
| rucaparib | [no description available] | medium | 1 | 0 | azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound | antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| 6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- | [no description available] | medium | 1 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
| cetilistat | [no description available] | medium | 1 | 0 | benzoxazine | |
| ym 201636 | [no description available] | medium | 1 | 0 | aromatic amide | |
| linagliptin | [no description available] | medium | 1 | 0 | aminopiperidine;
quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| azd 6244 | [no description available] | medium | 1 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| odanacatib | [no description available] | medium | 1 | 0 | | |
| apilimod | [no description available] | medium | 1 | 0 | | |
| apixaban | [no description available] | medium | 1 | 0 | aromatic ether;
lactam;
piperidones;
pyrazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| betrixaban | [no description available] | medium | 1 | 0 | benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor |
| edoxaban | [no description available] | medium | 1 | 0 | chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine | anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor |
| saracatinib | [no description available] | medium | 1 | 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 |
| n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide | [no description available] | medium | 1 | 0 | tripeptide;
ureas | antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic |
| ly 411575 | [no description available] | medium | 1 | 0 | dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol | EC 3.4.23.46 (memapsin 2) inhibitor |
| galidesivir | [no description available] | medium | 1 | 0 | | |
| PB28 | [no description available] | medium | 1 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
| degrasyn | [no description available] | medium | 1 | 0 | | |
| epoxomicin | [no description available] | medium | 1 | 0 | morpholines;
tripeptide | proteasome inhibitor |
| bms 477118 | [no description available] | medium | 1 | 0 | adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| pha 680632 | [no description available] | medium | 1 | 0 | | |
| tmc 353121 | [no description available] | medium | 1 | 0 | | |
| amd 070 | [no description available] | medium | 1 | 0 | aminoquinoline | |
| danoprevir | [no description available] | medium | 1 | 0 | | |
| bms-626529 | [no description available] | medium | 1 | 0 | | |
| bms-663068 | [no description available] | medium | 1 | 0 | | |
| amenamevir | [no description available] | medium | 1 | 0 | | |
| vx 765 | [no description available] | medium | 1 | 0 | dipeptide | |
| Dihydrotanshinone I | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
| alogliptin | [no description available] | medium | 1 | 0 | nitrile;
piperidines;
primary amino compound;
pyrimidines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent |
| fr 180204 | [no description available] | medium | 1 | 0 | pyrazoles;
ring assembly | |
| quisinostat | [no description available] | medium | 1 | 0 | indoles | |
| carfilzomib | [no description available] | medium | 1 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
| hcv 796 | [no description available] | medium | 1 | 0 | | |
| resminostat | [no description available] | medium | 1 | 0 | | |
| zk 756326 | [no description available] | medium | 1 | 0 | aromatic ether | |
| balapiravir | [no description available] | medium | 1 | 0 | | |
| trametinib | [no description available] | medium | 1 | 0 | acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector |
| deoxyarbutin | [no description available] | medium | 1 | 0 | | |
| abexinostat | [no description available] | medium | 1 | 0 | benzofurans | |
| silvestrol | [no description available] | medium | 1 | 0 | dioxanes;
ether;
methyl ester;
organic heterotricyclic compound | antineoplastic agent;
metabolite |
| narlaprevir | [no description available] | medium | 1 | 0 | azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas | anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor |
| teneligliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| dextrothyroxine | [no description available] | medium | 1 | 0 | | |
| veliparib | [no description available] | medium | 1 | 0 | benzimidazoles | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| pf 03491390 | [no description available] | medium | 1 | 0 | | |
| alloin | [no description available] | medium | 1 | 0 | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite |
| mdv 3100 | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound | androgen antagonist;
antineoplastic agent |
| bms-650032 | [no description available] | medium | 1 | 0 | oligopeptide | |
| rg 7128 | [no description available] | medium | 1 | 0 | | |
| oritavancin | [no description available] | medium | 1 | 0 | disaccharide derivative;
glycopeptide;
semisynthetic derivative | antibacterial drug;
antimicrobial agent |
| pevonedistat | [no description available] | medium | 1 | 0 | cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate | antineoplastic agent;
apoptosis inducer |
| uk 453,061 | [no description available] | medium | 1 | 0 | aromatic ether | |
| N-(2-aminophenyl)-2-pyrazinecarboxamide | [no description available] | medium | 1 | 0 | aromatic amide | |
| tegobuvir | [no description available] | medium | 1 | 0 | | |
| pf-429242 | [no description available] | medium | 1 | 0 | | |
| olaparib | [no description available] | medium | 1 | 0 | cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| cx 4945 | [no description available] | medium | 1 | 0 | | |
| pci 34051 | [no description available] | medium | 1 | 0 | indolecarboxamide | |
| lomibuvir | [no description available] | medium | 1 | 0 | thiophenecarboxylic acid | |
| delanzomib | [no description available] | medium | 1 | 0 | C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative | antineoplastic agent;
apoptosis inducer;
proteasome inhibitor |
| pitavastatin(1-) | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid anion | |
| GRL-0617 | [no description available] | medium | 1 | 0 | benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline | anticoronaviral agent;
protease inhibitor |
| N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester | [no description available] | medium | 1 | 0 | carbamate ester | |
| niraparib | [no description available] | medium | 1 | 0 | 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent |
| jzl 184 | [no description available] | medium | 1 | 0 | benzodioxoles | |
| gsk 650394 | [no description available] | medium | 1 | 0 | phenylpyridine | |
| oprozomib | [no description available] | medium | 1 | 0 | | |
| az 960 | [no description available] | medium | 1 | 0 | | |
| golgicide a | [no description available] | medium | 1 | 0 | diastereoisomeric mixture | cis-Golgi ArfGEF GBF inhibitor |
| cobicistat | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas | P450 inhibitor |
| bms-790052 | [no description available] | medium | 1 | 0 | biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative | antiviral drug;
nonstructural protein 5A inhibitor |
| ixazomib | [no description available] | medium | 1 | 0 | benzamides;
boronic acids;
dichlorobenzene;
glycine derivative | antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor |
| ucph 101 | [no description available] | medium | 1 | 0 | | |
| 5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine | [no description available] | medium | 1 | 0 | aryl sulfide;
thienopyrimidine | |
| baricitinib | [no description available] | medium | 1 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
| KOM70144 | [no description available] | medium | 1 | 0 | acetamides;
benzamides;
naphthalenes;
secondary carboxamide | anticoronaviral agent;
protease inhibitor |
| e-52862 | [no description available] | medium | 1 | 0 | | |
| ly2811376 | [no description available] | medium | 1 | 0 | | |
| anagliptin | [no description available] | medium | 1 | 0 | amino acid amide | |
| gardiquimod | [no description available] | medium | 1 | 0 | | |
| grazoprevir | [no description available] | medium | 1 | 0 | aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative | antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent |
| abt-450 | [no description available] | medium | 1 | 0 | | |
| letermovir | [no description available] | medium | 1 | 0 | | |
| sofosbuvir | [no description available] | medium | 1 | 0 | isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester | antiviral drug;
hepatitis C protease inhibitor;
prodrug |
| 5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine | [no description available] | medium | 1 | 0 | benzoxazole | |
| blz 945 | [no description available] | medium | 1 | 0 | | |
| azd3839 | [no description available] | medium | 1 | 0 | | |
| pf 3084014 | [no description available] | medium | 1 | 0 | | |
| unc 0638 | [no description available] | medium | 1 | 0 | quinazolines | |
| gs-9620 | [no description available] | medium | 1 | 0 | | |
| n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide | [no description available] | medium | 1 | 0 | | |
| bms 708163 | [no description available] | medium | 1 | 0 | oxadiazole;
ring assembly | |
| jq1 compound | [no description available] | medium | 1 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
| 1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone | [no description available] | medium | 1 | 0 | | |
| gsk525762a | [no description available] | medium | 1 | 0 | benzodiazepine | |
| ML240 | [no description available] | medium | 1 | 0 | aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound | antineoplastic agent |
| birinapant | [no description available] | medium | 1 | 0 | dipeptide | |
| ly2886721 | [no description available] | medium | 1 | 0 | | |
| nms-p118 | [no description available] | medium | 1 | 0 | | |
| tubastatin a | [no description available] | medium | 1 | 0 | hydroxamic acid;
pyridoindole;
tertiary amino compound | EC 3.5.1.98 (histone deacetylase) inhibitor |
| pracinostat | [no description available] | medium | 1 | 0 | benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound | antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
| spautin-1 | [no description available] | medium | 1 | 0 | | |
| ldn 57444 | [no description available] | medium | 1 | 0 | | |
| gsk1210151a | [no description available] | medium | 1 | 0 | imidazoquinoline | |
| i-bet726 | [no description available] | medium | 1 | 0 | | |
| acy-1215 | [no description available] | medium | 1 | 0 | pyrimidinecarboxylic acid | |
| cudc-907 | [no description available] | medium | 1 | 0 | | |
| mobic | [no description available] | medium | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
| tipranavir | [no description available] | medium | 1 | 0 | sulfonamide | antiviral drug;
HIV protease inhibitor |
| tasquinimod | [no description available] | medium | 1 | 0 | | |
| gsk1265744 | [no description available] | medium | 1 | 0 | difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide | HIV-1 integrase inhibitor |
| abt-267 | [no description available] | medium | 1 | 0 | aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor |
| abt-333 | [no description available] | medium | 1 | 0 | aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide | antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor |
| rgfp966 | [no description available] | medium | 1 | 0 | | |
| rg2833 | [no description available] | medium | 1 | 0 | | |
| pi-1840 | [no description available] | medium | 1 | 0 | | |
| acy-738 | [no description available] | medium | 1 | 0 | | |
| pelabresib | [no description available] | medium | 1 | 0 | monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide | antineoplastic agent;
bromodomain-containing protein 4 inhibitor |
| gs-5806 | [no description available] | medium | 1 | 0 | | |
| doravirine | [no description available] | medium | 1 | 0 | | |
| gn6958 | [no description available] | medium | 1 | 0 | | |
| vx-787 | [no description available] | medium | 1 | 0 | | |
| ledipasvir | [no description available] | medium | 1 | 0 | azaspiro compound;
benzimidazole;
bridged compound;
carbamate ester;
carboxamide;
fluorenes;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organofluorine compound | antiviral drug;
hepatitis C protease inhibitor |
| gs-5816 | [no description available] | medium | 1 | 0 | carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor |
| g007-lk | [no description available] | medium | 1 | 0 | | |
| 4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide | [no description available] | medium | 1 | 0 | | |
| selinexor | [no description available] | medium | 1 | 0 | | |
| verdinexor | [no description available] | medium | 1 | 0 | | |
| cb-839 | [no description available] | medium | 1 | 0 | | |
| mk-8742 | [no description available] | medium | 1 | 0 | carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly | antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent |
| atglistatin | [no description available] | medium | 1 | 0 | | |
| xen445 | [no description available] | medium | 1 | 0 | | |
| santacruzamate a | [no description available] | medium | 1 | 0 | organonitrogen compound;
organooxygen compound | |
| ldc4297 | [no description available] | medium | 1 | 0 | aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound | antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| enasidenib | [no description available] | medium | 1 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| s 8932 | [no description available] | medium | 1 | 0 | aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine | anticoronaviral agent;
antiviral drug;
prodrug |
| entecavir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol | antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
| acyclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antimetabolite;
antiviral drug |
| nu 1025 | [no description available] | medium | 1 | 0 | phenols;
quinazolines | EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| didanosine | [no description available] | medium | 1 | 0 | purine 2',3'-dideoxyribonucleoside | antimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor |
| ganciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
oxopurine | antiinfective agent;
antiviral drug |
| valacyclovir | [no description available] | medium | 1 | 0 | L-valyl ester | antiviral drug |
| penciclovir | [no description available] | medium | 1 | 0 | 2-aminopurines;
propane-1,3-diols | antiviral drug |
| 4-hydroxyquinazoline | [no description available] | medium | 1 | 0 | quinazolines | |
| tegaserod | [no description available] | medium | 1 | 0 | carboxamidine;
guanidines;
hydrazines;
indoles | gastrointestinal drug;
serotonergic agonist |
| norclozapine | [no description available] | medium | 1 | 0 | dibenzodiazepine;
organochlorine compound;
piperazines | delta-opioid receptor agonist;
metabolite;
serotonergic antagonist |
| pemetrexed | [no description available] | medium | 1 | 0 | N-acyl-L-glutamic acid;
pyrrolopyrimidine | antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor |
| aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles | antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist |
| azilsartan | [no description available] | medium | 1 | 0 | 1,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid | angiotensin receptor antagonist;
antihypertensive agent |
| hesperadin | [no description available] | medium | 1 | 0 | | |
| 6-bromoindirubin-3'-acetoxime | [no description available] | medium | 1 | 0 | | |
| n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide | [no description available] | medium | 1 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
| XL413 | [no description available] | medium | 1 | 0 | benzofuropyrimidine;
organochlorine compound;
pyrrolidines | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
| me0328 | [no description available] | medium | 1 | 0 | | |
| nvp-tnks656 | [no description available] | medium | 1 | 0 | | |
| gingerol | [no description available] | medium | 1 | 0 | beta-hydroxy ketone;
guaiacols | antineoplastic agent;
plant metabolite |
| falcarindiol | [no description available] | medium | 1 | 0 | organic molecular entity | metabolite |
| silver | [no description available] | medium | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
| alkenes | [no description available] | medium | 1 | 0 | | |
| zolmitriptan | [no description available] | medium | 3 | 0 | oxazolidinone;
tryptamines | anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent |
| psilocybin | [no description available] | medium | 1 | 0 | organic phosphate;
tertiary amino compound;
tryptamine alkaloid | fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist |
| ketamine | [no description available] | medium | 1 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
| lysergic acid diethylamide | [no description available] | medium | 1 | 0 | ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound | dopamine agonist;
hallucinogen;
serotonergic agonist |
| pasireotide | [no description available] | medium | 1 | 0 | homodetic cyclic peptide;
peptide hormone | antineoplastic agent |
| oxazolidin-2-one | [no description available] | medium | 3 | 0 | carbamate ester;
oxazolidinone | metabolite |
| sumatriptan | [no description available] | medium | 2 | 0 | sulfonamide;
tryptamines | serotonergic agonist;
vasoconstrictor agent |
| cocaine | [no description available] | medium | 1 | 0 | benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid | adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic |
| lidocaine | [no description available] | medium | 1 | 0 | benzenes;
monocarboxylic acid amide;
tertiary amino compound | anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic |
| dihydroergotamine | [no description available] | medium | 1 | 0 | ergot alkaloid;
semisynthetic derivative | dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent |
| nifedipine | [no description available] | medium | 1 | 0 | C-nitro compound;
dihydropyridine;
methyl ester | calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent |
| 3-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | hydroxybenzyl alcohol;
phenols | metabolite |
| 4-hydroxybenzyl alcohol | [no description available] | low | 0 | 0 | benzyl alcohols;
phenols | plant metabolite |
| 4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite |
| 4-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid;
phenols | metabolite |
| 4-vinylguaiacol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
pheromone;
plant metabolite |
| 4-hydroxyphenylglyoxylic acid | [no description available] | low | 0 | 0 | phenols | |
| melilotic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite |
| n-acetylserotonin | [no description available] | low | 0 | 0 | acetamides;
N-acylserotonin;
phenols | antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist |
| 4-hydroxyphenylpyruvic acid | [no description available] | low | 0 | 0 | 2-oxo monocarboxylic acid;
phenols | human metabolite |
| phenol | [no description available] | low | 0 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
| vanillin | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite |
| 8-hydroxy-2-(di-n-propylamino)tetralin | [no description available] | low | 0 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
| vanilmandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
aromatic ether;
phenols | human metabolite |
| 3-hydroxybenzylhydrazine | [no description available] | low | 0 | 0 | phenols | |
| 3-methoxytyramine | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound | biomarker;
human blood serum metabolite;
human urinary metabolite |
| 4-hydroxybenzoic acid hydrazide | [no description available] | low | 0 | 0 | carbohydrazide;
phenols | |
| 3-hydroxy-4-methoxyphenethylamine | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound | human metabolite;
rat metabolite |
| 4-nonylphenol | [no description available] | low | 0 | 0 | phenols | environmental contaminant |
| acetaminophen | [no description available] | low | 0 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
| albuterol | [no description available] | low | 0 | 0 | phenols;
phenylethanolamines;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic |
| capsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| dienestrol | [no description available] | low | 0 | 0 | olefinic compound;
phenols | xenoestrogen |
| edrophonium | [no description available] | low | 0 | 0 | phenols;
quaternary ammonium ion | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
| etilefrine | [no description available] | low | 0 | 0 | phenols | |
| fluorescite | [no description available] | low | 0 | 0 | benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye | fluorescent dye;
radioopaque medium |
| formoterol fumarate | [no description available] | low | 0 | 0 | formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound | |
| labetalol | [no description available] | low | 0 | 0 | benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound | |
| ly 171883 | [no description available] | low | 0 | 0 | acetophenones;
aromatic ether;
phenols;
tetrazoles | anti-asthmatic drug;
leukotriene antagonist |
| mesalamine | [no description available] | low | 0 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
| norfenefrine | [no description available] | low | 0 | 0 | phenols | |
| ns 1619 | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
benzimidazoles;
phenols | potassium channel opener |
| oxymetazoline | [no description available] | low | 0 | 0 | carboxamidine;
imidazolines;
phenols | alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent |
| oxyphenbutazone | [no description available] | low | 0 | 0 | phenols;
pyrazolidines | antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite |
| aminosalicylic acid | [no description available] | low | 0 | 0 | aminobenzoic acid;
phenols | antitubercular agent |
| phenolphthalein | [no description available] | low | 0 | 0 | phenols | |
| phenolsulfonphthalein | [no description available] | low | 0 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone | acid-base indicator;
diagnostic agent;
two-colour indicator |
| Phenyliodoundecynoate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| propofol | [no description available] | low | 0 | 0 | phenols | anticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative |
| psilocin | [no description available] | low | 0 | 0 | hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid | drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist |
| raloxifene | [no description available] | low | 0 | 0 | 1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols | bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
| resorcinol monoacetate | [no description available] | low | 0 | 0 | phenols;
phenyl acetates | antibacterial agent;
dermatologic drug |
| salicylamide | [no description available] | low | 0 | 0 | phenols;
salicylamides | antirheumatic drug;
non-narcotic analgesic |
| salmeterol xinafoate | [no description available] | low | 0 | 0 | ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound | |
| salicylsalicylic acid | [no description available] | low | 0 | 0 | benzoate ester;
benzoic acids;
phenols;
salicylates | antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug |
| sb 202190 | [no description available] | low | 0 | 0 | imidazoles;
organofluorine compound;
phenols;
pyridines | apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
| sulfobromophthalein | [no description available] | low | 0 | 0 | 2-benzofurans;
organobromine compound;
organosulfonic acid;
phenols | dye |
| 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 |
| phentolamine | [no description available] | low | 0 | 0 | imidazoles;
phenols;
substituted aniline;
tertiary amino compound | alpha-adrenergic antagonist;
vasodilator agent |
| estrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols | antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite |
| 17-desoxyestradiol | [no description available] | low | 0 | 0 | 3-hydroxy steroid;
phenolic steroid;
phenols | estrogen |
| n-methyl-4-aminophenol | [no description available] | low | 0 | 0 | phenols | allergen |
| phenylephrine | [no description available] | low | 0 | 0 | phenols;
phenylethanolamines;
secondary amino compound | alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent |
| isoamyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| glycol salicylate | [no description available] | low | 0 | 0 | phenols;
primary alcohol;
salicylates | |
| 2-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| 2-isopropylphenol | [no description available] | low | 0 | 0 | phenols | |
| 2-sec-butylphenol | [no description available] | low | 0 | 0 | phenols | |
| thymol | [no description available] | low | 0 | 0 | monoterpenoid;
phenols | volatile oil component |
| 2-ethylphenol | [no description available] | low | 0 | 0 | phenols | |
| pyrogallol 1,3-dimethyl ether | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols | plant metabolite |
| acetyleugenol | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| creosol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| synephrine | [no description available] | low | 0 | 0 | ethanolamines;
phenethylamine alkaloid;
phenols | alpha-adrenergic agonist;
plant metabolite |
| propylparaben | [no description available] | low | 0 | 0 | benzoate ester;
paraben;
phenols | antifungal agent;
antimicrobial agent |
| 3,4-dimethylphenol | [no description available] | low | 0 | 0 | phenols | |
| 2,5-xylenol | [no description available] | low | 0 | 0 | phenols | animal metabolite;
volatile oil component |
| 2,4-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant;
bacterial metabolite;
marine metabolite |
| sulfosalicylic acid | [no description available] | low | 0 | 0 | arenesulfonic acid;
benzoic acids;
phenols | metabolite |
| butylphen | [no description available] | low | 0 | 0 | phenols | allergen |
| 4-isopropylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent |
| 2,4-dimethylphenol | [no description available] | low | 0 | 0 | aromatic fungicide;
phenols | disinfectant;
volatile oil component |
| 3,5-xylenol | [no description available] | low | 0 | 0 | phenols | xenobiotic metabolite |
| oxyphenisatin acetate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| bromphenol blue | [no description available] | low | 0 | 0 | 2,1-benzoxathiole;
arenesulfonate ester;
organobromine compound;
phenols;
sultone | acid-base indicator;
dye;
two-colour indicator |
| phenyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols;
salicylates | ultraviolet filter |
| homosalate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| benzyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-ethylhexyl salicylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2'-hydroxyacetophenone | [no description available] | low | 0 | 0 | monohydroxyacetophenone;
phenols | flavouring agent |
| 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 |
| p-cresyl acetate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3-hydroxyanisole | [no description available] | low | 0 | 0 | monomethoxybenzene;
phenols | |
| mequinol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | metabolite |
| ethamivan | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-hydroxyphenyllactic acid | [no description available] | low | 0 | 0 | 2-hydroxy carboxylic acid;
phenols | bacterial metabolite;
human metabolite |
| plumbagin | [no description available] | low | 0 | 0 | hydroxy-1,4-naphthoquinone;
phenols | anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite |
| topanol 354 | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| carvacrol | [no description available] | low | 0 | 0 | botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols | agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component |
| phloroglucinol dimethyl ether | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | phenols | anti-arrhythmia drug;
antioxidant;
cardiovascular drug;
fungal metabolite;
geroprotector;
plant metabolite;
protective agent |
| syringic acid | [no description available] | low | 0 | 0 | benzoic acids;
dimethoxybenzene;
phenols | plant metabolite |
| methoxyhydroxyphenylglycol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| paeonol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | metabolite |
| 2-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
phenols | human metabolite;
mouse metabolite |
| 2-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides;
phenols | anti-inflammatory agent;
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
platelet aggregation inhibitor;
xenobiotic metabolite |
| 3-ethylphenol | [no description available] | low | 0 | 0 | phenols | |
| 3-hydroxybenzeneacetic acid | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols | human xenobiotic metabolite |
| 3-hydroxyacetanilide | [no description available] | low | 0 | 0 | acetamides;
phenols | non-narcotic analgesic |
| isovanillin | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | animal metabolite;
antidiarrhoeal drug;
antifungal agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
HIV protease inhibitor;
plant metabolite |
| 4-Ethoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| bulbocapnine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
oxacycle;
phenols | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
EC 1.4.3.22 (diamine oxidase) inhibitor;
plant metabolite |
| 2-propylphenol | [no description available] | low | 0 | 0 | phenols | flavouring agent;
plant metabolite |
| 4-cyanophenol | [no description available] | low | 0 | 0 | phenols | EC 1.4.3.4 (monoamine oxidase) inhibitor |
| 2-(2'-hydroxyphenyl)benzoxazole | [no description available] | low | 0 | 0 | 1,3-benzoxazoles;
phenols | geroprotector |
| ethyl n-alpha-acetyl-tyrosinate | [no description available] | low | 0 | 0 | acetamides;
ethyl ester;
L-tyrosine derivative;
phenols | |
| fenadiazole | [no description available] | low | 0 | 0 | 1,3,4-oxadiazoles;
biaryl;
phenols | sedative |
| amylmetacresol | [no description available] | low | 0 | 0 | phenols | antiseptic drug |
| 4-chloro-2-cresol | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenols | |
| isobarbaloin | [no description available] | low | 0 | 0 | anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols | laxative;
metabolite |
| dinoterb | [no description available] | low | 0 | 0 | C-nitro compound;
phenols | |
| 4-n-Butylphenol | [no description available] | low | 0 | 0 | phenols | |
| bromoxynil | [no description available] | low | 0 | 0 | dibromobenzene;
hydroxynitrile;
phenols | environmental contaminant;
herbicide;
xenobiotic |
| 2-allylphenol | [no description available] | low | 0 | 0 | phenols | antifungal agrochemical |
| 4-octylphenol | [no description available] | low | 0 | 0 | phenols | metabolite;
surfactant;
xenoestrogen |
| 3-methoxy-4-hydroxyphenylethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| acetosyringone | [no description available] | low | 0 | 0 | acetophenones;
dimethoxybenzene;
phenols | anti-asthmatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite |
| bis(4-oxyphenyl)sulfide | [no description available] | low | 0 | 0 | phenols | |
| hydroxyphenytoin | [no description available] | low | 0 | 0 | imidazolidine-2,4-dione;
phenols | metabolite |
| 2-(2-hydroxyphenyl)benzothiazole | [no description available] | low | 0 | 0 | benzothiazoles;
phenols | geroprotector |
| cue-lure | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| methyl vanillate | [no description available] | low | 0 | 0 | aromatic ether;
benzoate ester;
phenols | antioxidant;
plant metabolite |
| 2-isopropoxyphenol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| raspberry ketone | [no description available] | low | 0 | 0 | methyl ketone;
phenols | androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite |
| laurolitsine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
phenols | HIV-1 integrase inhibitor;
metabolite |
| 4-n-Pentylphenol | [no description available] | low | 0 | 0 | phenols | |
| zingerone | [no description available] | low | 0 | 0 | methyl ketone;
monomethoxybenzene;
phenols | anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent |
| 4-ethylphenol | [no description available] | low | 0 | 0 | phenols | fungal xenobiotic metabolite |
| butylated hydroxytoluene | [no description available] | low | 0 | 0 | phenols | antioxidant;
ferroptosis inhibitor;
food additive;
geroprotector |
| 2,6-di-tert-butylphenol | [no description available] | low | 0 | 0 | alkylbenzene;
phenols | antioxidant |
| dimethophrine | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-vinyl-2,6-dimethoxyphenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | low | 0 | 0 | chromanol;
monocarboxylic acid;
phenols | antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor |
| closantel | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols | |
| fomesafen | [no description available] | low | 0 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols | agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide |
| naxagolide | [no description available] | low | 0 | 0 | organic heterotricyclic compound;
phenols;
tertiary amino compound | anticonvulsant;
antiparkinson drug;
dopamine agonist |
| 4-vinylphenol | [no description available] | low | 0 | 0 | phenols | human urinary metabolite;
human xenobiotic metabolite |
| 4-ethylguaiacol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| salicylhydroxamic acid | [no description available] | low | 0 | 0 | hydroxamic acid;
phenols | antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug |
| guaethol | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
volatile organic compound | flavouring agent |
| cresatin | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-trifluoromethylphenol | [no description available] | low | 0 | 0 | (trifluoromethyl)benzenes;
phenols | drug metabolite;
marine xenobiotic metabolite |
| 3-pentadecylphenol | [no description available] | low | 0 | 0 | phenols | |
| chavicol | [no description available] | low | 0 | 0 | phenols;
phenylpropanoid | |
| ibopamine | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-methoxyestradiol | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols | estrogen;
human metabolite;
rat metabolite |
| 2-hydroxy-4-methoxybenzaldehyde | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| methyl syringate | [no description available] | low | 0 | 0 | benzoate ester;
dimethoxybenzene;
phenols | plant metabolite |
| vanitiolide | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| tubulosine | [no description available] | low | 0 | 0 | beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound | |
| rubrofusarin | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
phenols;
polyketide | biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
fungal metabolite |
| dauricine | [no description available] | low | 0 | 0 | aromatic ether;
bisbenzylisoquinoline alkaloid;
isoquinolines;
phenols;
tertiary amino compound | plant metabolite |
| 2,5-di-tert-butyl-4-hydroxyanisole | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| methyl gentisate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-hydroxyindole | [no description available] | low | 0 | 0 | hydroxyindoles;
phenols | |
| benzoyltyrosine ethyl ester | [no description available] | low | 0 | 0 | benzamides;
ethyl ester;
L-tyrosine derivative;
phenols | chromogenic compound |
| methyl 3-(4-hydroxyphenyl)propionate | [no description available] | low | 0 | 0 | methyl ester;
phenols | nitrification inhibitor;
plant growth regulator |
| 4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene | [no description available] | low | 0 | 0 | phenols | |
| acetaminophen mercapturate | [no description available] | low | 0 | 0 | acetamides;
organic sulfide;
phenols;
S-substituted N-acetyl-L-cysteine | drug metabolite;
human urinary metabolite;
rat metabolite |
| adriamycinol | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline antibiotic;
aromatic ether;
deoxy hexoside;
p-quinones;
phenols;
polyol;
tetracenequinones | cardiotoxic agent;
drug metabolite |
| 3-hydroxymandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid;
phenols | human metabolite |
| n-acetyltyrosine, (dl)-isomer | [no description available] | low | 0 | 0 | N-acetyl-amino acid;
phenols;
tyrosine derivative | human urinary metabolite |
| 2-tyrosine | [no description available] | low | 0 | 0 | non-proteinogenic alpha-amino acid;
phenols;
phenylalanine derivative | |
| 2-amino-5-chlorophenol | [no description available] | low | 0 | 0 | monochlorobenzenes;
phenols;
primary amino compound | |
| beta-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
plant metabolite |
| alpha-peltatin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
organic heterotetracyclic compound;
phenols | antineoplastic agent;
metabolite |
| laudanine | [no description available] | low | 0 | 0 | aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
phenols;
racemate | |
| tyrphostin 8 | [no description available] | low | 0 | 0 | phenols | |
| 4-hydroxymexiletine | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| sugiol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
cyclic terpene ketone;
meroterpenoid;
phenols | antineoplastic agent;
antioxidant;
antiviral agent;
plant metabolite;
radical scavenger |
| gamma-glutamyltyrosine | [no description available] | low | 0 | 0 | dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide | human metabolite |
| 6-paradol | [no description available] | low | 0 | 0 | ketone;
monomethoxybenzene;
phenols | |
| 2-hydroxy-5-methoxybenzaldehyde | [no description available] | low | 0 | 0 | benzaldehydes;
monomethoxybenzene;
phenols | |
| 4-(4-hydroxyphenyl)-2-butanol | [no description available] | low | 0 | 0 | phenols | |
| tetrangulol | [no description available] | low | 0 | 0 | p-quinones;
phenols;
tetraphenes | bacterial metabolite |
| terphenyllin | [no description available] | low | 0 | 0 | dimethoxybenzene;
para-terphenyl;
phenols | Aspergillus metabolite;
mycotoxin |
| 2,3-bis(4-hydroxyphenyl)-propionitrile | [no description available] | low | 0 | 0 | nitrile;
phenols | estrogen receptor agonist |
| 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid | [no description available] | low | 0 | 0 | dihydroxy monocarboxylic acid;
phenols | human urinary metabolite |
| sn 38 | [no description available] | low | 0 | 0 | delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol | antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor |
| ly 117018 | [no description available] | low | 0 | 0 | 1-benzothiophenes;
aromatic ketone;
N-alkylpyrrolidine;
phenols | bone density conservation agent;
estrogen receptor antagonist;
estrogen receptor modulator |
| 5-hydroxypropafenone | [no description available] | low | 0 | 0 | phenols | |
| 4'-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 3-chloro-4-hydroxyphenylacetic acid | [no description available] | low | 0 | 0 | hydroxy monocarboxylic acid;
monochlorobenzenes;
phenols | mammalian metabolite |
| eseroline | [no description available] | low | 0 | 0 | phenols;
pyrroloindole | human xenobiotic metabolite;
opioid analgesic |
| hydrangenol | [no description available] | low | 0 | 0 | dihydroisocoumarins;
phenols | anti-allergic agent;
plant metabolite |
| maculosin | [no description available] | low | 0 | 0 | dipeptide;
homodetic cyclic peptide;
phenols;
pyrrolopyrazine | metabolite |
| 2-o-methylpyrogallol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| dopamine 3-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate;
phenols;
primary amino compound;
zwitterion | human blood serum metabolite;
human urinary metabolite |
| estriol-16 alpha-glucuronide | [no description available] | low | 0 | 0 | 17beta-hydroxy steroid;
3-hydroxy steroid;
beta-D-glucosiduronic acid;
phenols;
steroid glucosiduronic acid | human urinary metabolite |
| emodin anthrone | [no description available] | low | 0 | 0 | anthracenone;
phenols | fungal metabolite |
| 4'-demethylpodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | metabolite |
| 4'-demethylepipodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
organic heterotetracyclic compound;
phenols | antineoplastic agent |
| dopamine 4-o-sulfate | [no description available] | low | 0 | 0 | aryl sulfate;
phenols;
primary amino compound;
zwitterion | human blood serum metabolite;
human urinary metabolite |
| rubimaillin | [no description available] | low | 0 | 0 | benzochromene;
methyl ester;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
NF-kappaB inhibitor;
plant metabolite |
| desvenlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
phenols;
tertiary amino compound | antidepressant;
drug metabolite;
marine xenobiotic metabolite |
| ay 25545 | [no description available] | low | 0 | 0 | acetate ester;
aromatic ether;
C-glycosyl compound;
naphthoisochromene;
olefinic compound;
phenols;
tertiary amine | antimicrobial agent;
antineoplastic agent;
bacterial metabolite |
| tilivalline | [no description available] | low | 0 | 0 | indole alkaloid;
indoles;
phenols;
pyrrolobenzodiazepine | bacterial metabolite;
microtubule-stabilising agent;
toxin |
| 4-acetamidophenyl-2-thiophenecarboxylate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| yakuchinone-a | [no description available] | low | 0 | 0 | ketone;
monomethoxybenzene;
phenols | antineoplastic agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
metabolite |
| cd 437 | [no description available] | low | 0 | 0 | adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols | apoptosis inducer;
retinoic acid receptor gamma agonist |
| aclacinomycin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion | antimicrobial agent;
antineoplastic agent;
metabolite |
| n-methylserotonin | [no description available] | low | 0 | 0 | phenols;
tryptamines | human metabolite;
plant metabolite |
| endocrocin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
trihydroxyanthraquinone | metabolite |
| actinodaphine | [no description available] | low | 0 | 0 | aporphine alkaloid;
aromatic ether;
organic heteropentacyclic compound;
phenols;
secondary amino compound | antibacterial agent;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite;
platelet aggregation inhibitor;
topoisomerase inhibitor |
| sulochrin | [no description available] | low | 0 | 0 | benzophenones;
carboxylic ester;
phenols | metabolite |
| isohomovanillic acid | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
phenylacetic acids | metabolite |
| 3,5-diiodothyropropionic acid | [no description available] | low | 0 | 0 | aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols | |
| 4-hydroxybenzyl isothiocyanate | [no description available] | low | 0 | 0 | phenols | |
| 4'-demethyldesoxypodophyllotoxin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes;
phenols | antineoplastic agent;
antioxidant;
immunosuppressive agent;
plant metabolite |
| myricanone | [no description available] | low | 0 | 0 | aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols | antineoplastic agent;
plant metabolite |
| pannarin | [no description available] | low | 0 | 0 | aldehyde;
aromatic ether;
depsidones;
organic heterotricyclic compound;
organochlorine compound;
phenols | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lichen metabolite |
| gingerdione | [no description available] | low | 0 | 0 | beta-diketone;
monomethoxybenzene;
phenols | |
| etilefrine hydrochloride | [no description available] | low | 0 | 0 | phenols | |
| 8-gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monomethoxybenzene;
phenols | |
| 10-gingerol | [no description available] | low | 0 | 0 | beta-hydroxy ketone;
monomethoxybenzene;
phenols | |
| pluviatolide | [no description available] | low | 0 | 0 | aromatic ether;
benzodioxoles;
butan-4-olide;
lignan;
phenols | plant metabolite |
| nordihydrocapsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| erysodine | [no description available] | low | 0 | 0 | aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols | antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide |
| isomhpg | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| rubrofusarin B | [no description available] | low | 0 | 0 | aromatic ether;
benzochromenone;
naphtho-gamma-pyrone;
phenols;
polyketide | Aspergillus metabolite |
| top 53 | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
organic heterotetracyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 2,5-dihydroxybenzyl alcohol | [no description available] | low | 0 | 0 | aromatic primary alcohol;
phenols | antineoplastic agent;
antioxidant;
apoptosis inhibitor;
fungal metabolite |
| n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide | [no description available] | low | 0 | 0 | anilide fungicide;
aromatic amide;
dichlorobenzene;
monocarboxylic acid amide;
phenols | antifungal agrochemical;
EC 1.14.13.72 (methylsterol monooxygenase) inhibitor;
sterol biosynthesis inhibitor |
| deferasirox | [no description available] | low | 0 | 0 | benzoic acids;
monocarboxylic acid;
phenols;
triazoles | iron chelator |
| succinobucol | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| fonsecin | [no description available] | low | 0 | 0 | aromatic ether;
cyclic hemiketal;
heptaketide;
naphtho-gamma-pyrone;
phenols | Aspergillus metabolite;
marine metabolite |
| 4-allyl-2,6-dimethoxyphenol | [no description available] | low | 0 | 0 | dimethoxybenzene;
phenols;
phenylpropanoid | |
| lariciresinol | [no description available] | low | 0 | 0 | aromatic ether;
lignan;
oxolanes;
phenols;
primary alcohol | antifungal agent;
plant metabolite |
| 4-(2-Amino-1,3-thiazol-4-yl)phenol | [no description available] | low | 0 | 0 | phenols | |
| 3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| maackiain | [no description available] | low | 0 | 0 | phenols;
pterocarpans | |
| 2-methoxyestrone | [no description available] | low | 0 | 0 | 17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols | human metabolite;
mouse metabolite |
| metoprolol tartrate | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| ferruginol | [no description available] | low | 0 | 0 | abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols | antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent |
| abyssinone i | [no description available] | low | 0 | 0 | monohydroxyflavanone;
phenols | apoptosis inhibitor;
plant metabolite |
| abyssinone v | [no description available] | low | 0 | 0 | 4'-hydroxyflavanones;
phenols;
trihydroxyflavanone | metabolite |
| oxyacanthine | [no description available] | low | 0 | 0 | bisbenzylisoquinoline alkaloid;
isoquinolines;
macrocycle;
phenols;
tertiary amino compound | |
| agnuside | [no description available] | low | 0 | 0 | benzoate ester;
beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monosaccharide derivative;
phenols;
terpene glycoside | anti-inflammatory agent;
cyclooxygenase 2 inhibitor;
plant metabolite;
pro-angiogenic agent |
| cleomiscosin a | [no description available] | low | 0 | 0 | aromatic ether;
delta-lactone;
organic heterotricyclic compound;
phenols;
primary alcohol | anti-inflammatory agent;
metabolite |
| pyochelin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
thiazolidines | metabolite;
siderophore |
| yersiniabactin | [no description available] | low | 0 | 0 | monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines | bacterial metabolite;
siderophore |
| sr 12813 | [no description available] | low | 0 | 0 | organic phosphonate;
phenols | pregnane X receptor agonist |
| 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 |
| stigmatellin | [no description available] | low | 0 | 0 | aromatic ether;
chromones;
olefinic compound;
phenols | bacterial metabolite;
quinol oxidation site inhibitor |
| afimoxifene | [no description available] | low | 0 | 0 | phenols;
tertiary amino compound | antineoplastic agent;
estrogen receptor antagonist;
metabolite |
| 3-hydroxyhippuric acid | [no description available] | low | 0 | 0 | N-acylglycine;
phenols | metabolite |
| aclarubicin | [no description available] | low | 0 | 0 | aminoglycoside;
anthracycline;
methyl ester;
phenols;
polyketide;
tetracenequinones;
trisaccharide derivative;
zwitterion | antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
| 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 |
| chavibetol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| piperlactam s | [no description available] | low | 0 | 0 | alkaloid;
aromatic ether;
gamma-lactam;
organic heterotetracyclic compound;
phenols | anti-inflammatory agent;
antioxidant;
plant metabolite |
| 2-hydroxycinnamic acid | [no description available] | low | 0 | 0 | 2-coumaric acid;
phenols | antioxidant;
metabolite |
| 2'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | anti-inflammatory agent |
| 6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile | [no description available] | low | 0 | 0 | phenols | |
| 5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| monastrol | [no description available] | low | 0 | 0 | enoate ester;
ethyl ester;
phenols;
racemate;
thioureas | antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor |
| dezocine | [no description available] | low | 0 | 0 | phenols;
primary amino compound | opioid analgesic |
| 3-methoxy-4-hydroxyphenylglycol sulfate | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| 5-hydroxydiclofenac | [no description available] | low | 0 | 0 | dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound | allergen;
drug metabolite |
| 4-hydroxyphenethylene glycol | [no description available] | low | 0 | 0 | phenols | |
| 5-hydroxybenzimidazole | [no description available] | low | 0 | 0 | benzimidazoles;
phenols | bacterial metabolite;
human metabolite;
rat metabolite |
| 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| n,o-didesmethylvenlafaxine | [no description available] | low | 0 | 0 | cyclohexanols;
phenols;
secondary amino compound | drug metabolite;
marine xenobiotic metabolite |
| 2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| 1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole | [no description available] | low | 0 | 0 | phenols;
pyrazoles | estrogen receptor agonist |
| 6-iodonordihydrocapsaicin | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| 3-(4-hydroxyphenyl)-1-propane | [no description available] | low | 0 | 0 | 4-hydroxycinnamyl alcohol;
phenols;
phenylpropanoid | monolignol |
| sinapaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes;
dimethoxybenzene;
phenols | antifungal agent;
plant metabolite |
| isobutrin | [no description available] | low | 0 | 0 | beta-D-glucoside;
chalcones;
monosaccharide derivative;
phenols | anti-inflammatory agent;
hepatoprotective agent;
plant metabolite |
| euxanthone | [no description available] | low | 0 | 0 | phenols;
xanthones | metabolite;
plant metabolite |
| swerchirin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | hypoglycemic agent;
metabolite |
| shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| 4-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | antihypertensive agent;
plant metabolite |
| 4'-hydroxychalcone | [no description available] | low | 0 | 0 | chalcones;
phenols | anti-inflammatory agent;
antineoplastic agent |
| olvanil | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| n-cinnamoyltyramine | [no description available] | low | 0 | 0 | cinnamamides;
phenols;
secondary carboxamide | allelochemical;
antimicrobial agent;
phytoalexin;
platelet aggregation inhibitor |
| methyl brevifolincarboxylate | [no description available] | low | 0 | 0 | cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols | EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent |
| 3-deoxysappanchalcone | [no description available] | low | 0 | 0 | chalcones;
monomethoxybenzene;
phenols | metabolite |
| rhamnazin | [no description available] | low | 0 | 0 | aromatic ether;
dimethoxyflavone;
phenols;
trihydroxyflavone | antineoplastic agent;
plant metabolite |
| alpha-cyano-4-hydroxycinnamic acid | [no description available] | low | 0 | 0 | monohydroxycinnamic acid;
nitrile;
phenols | MALDI matrix material |
| macluraxanthone b | [no description available] | low | 0 | 0 | phenols;
xanthones | anti-HIV agent;
antineoplastic agent;
metabolite |
| flavokawain b | [no description available] | low | 0 | 0 | chalcones;
dimethoxybenzene;
phenols | anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite |
| lichexanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| alternariol | [no description available] | low | 0 | 0 | benzochromenone;
phenols | EC 3.1.1.8 (cholinesterase) inhibitor;
metabolite;
mycotoxin |
| sorbicillin | [no description available] | low | 0 | 0 | phenols | |
| decussatin | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | plant metabolite |
| gamma-mangostin | [no description available] | low | 0 | 0 | phenols;
xanthones | antineoplastic agent;
plant metabolite;
protein kinase inhibitor |
| 1,7-dihydroxy-4-methoxyxanthone | [no description available] | low | 0 | 0 | aromatic ether;
phenols;
xanthones | metabolite;
plant metabolite |
| resiniferatoxin | [no description available] | low | 0 | 0 | carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone | analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist |
| flavasperone | [no description available] | low | 0 | 0 | aromatic ether;
naphtho-gamma-pyrone;
phenols | acyl-CoA:cholesterol acyltransferase 2 inhibitor;
antiviral agent;
Aspergillus metabolite;
marine metabolite |
| su 1498 | [no description available] | low | 0 | 0 | enamide;
monocarboxylic acid amide;
nitrile;
phenols;
secondary carboxamide | vascular endothelial growth factor receptor antagonist |
| n-feruloylserotonin | [no description available] | low | 0 | 0 | aromatic ether;
cinnamamides;
hydroxyindoles;
phenols;
secondary carboxamide | plant metabolite |
| tyrphostin ag825 | [no description available] | low | 0 | 0 | aromatic ether;
benzothiazoles;
enamide;
nitrile;
organic sulfide;
phenols;
primary carboxamide | epidermal growth factor receptor antagonist |
| eupomatenoid 6 | [no description available] | low | 0 | 0 | benzofurans;
phenols | anti-inflammatory agent;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
NF-kappaB inhibitor;
plant metabolite |
| 7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin | [no description available] | low | 0 | 0 | organoiodine compound;
phenols;
tertiary amino compound;
tetralins | dopamine agonist |
| monorden | [no description available] | low | 0 | 0 | cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols | antifungal agent;
metabolite;
tyrosine kinase inhibitor |
| cefatrizine | [no description available] | low | 0 | 0 | amino acid amide;
carboxylic acid;
cephalosporin;
phenols;
semisynthetic derivative;
triazoles | antibacterial drug;
EC 2.7.11.20 (elongation factor 2 kinase) inhibitor |
| sibiromycin | [no description available] | low | 0 | 0 | aminoglycoside antibiotic;
hemiaminal;
phenols;
pyrrolobenzodiazepine | antineoplastic agent;
bacterial metabolite |
| (8)-shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| (10)-shogaol | [no description available] | low | 0 | 0 | enone;
monomethoxybenzene;
phenols | |
| arvanil | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound | anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist |
| 3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine;
L-alpha-amino acid zwitterion;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
phenols | plant metabolite |
| camostat | [no description available] | low | 0 | 0 | aromatic ether;
phenols | |
| jasplakinolide | [no description available] | low | 0 | 0 | cyclodepsipeptide;
phenols | actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent |
| capsiate | [no description available] | low | 0 | 0 | carboxylic ester;
monomethoxybenzene;
phenols | angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite |
| fr 148083 | [no description available] | low | 0 | 0 | aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone | antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor |
| tmc-95a | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor |
| topopyrone c | [no description available] | low | 0 | 0 | naphthochromene;
p-quinones;
phenols | antimicrobial agent;
antineoplastic agent;
antiviral agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
Penicillium metabolite |
| pi103 | [no description available] | low | 0 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
| estin | [no description available] | low | 0 | 0 | 1-benzofurans;
ether;
methyl ester;
organochlorine compound;
oxaspiro compound;
phenols | Aspergillus metabolite;
Penicillium metabolite |
| mdl 105725 | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| ustiloxin b | [no description available] | low | 0 | 0 | aromatic ether;
heterodetic cyclic peptide;
macrocycle;
phenols;
secondary alcohol;
secondary carboxamide;
sulfoxide | Aspergillus metabolite;
microtubule-destabilising agent;
mycotoxin |
| nidulalin a | [no description available] | low | 0 | 0 | methyl ester;
phenols;
xanthones | antimicrobial agent;
antineoplastic agent;
Penicillium metabolite |
| hypothemycin | [no description available] | low | 0 | 0 | aromatic ether;
diol;
enone;
epoxide;
macrolide;
phenols;
polyketide;
secondary alpha-hydroxy ketone | antifungal agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
fungal metabolite |
| vernakalant | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| elloramycin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin | antimicrobial agent;
bacterial metabolite |
| arachidonoylserotonin | [no description available] | low | 0 | 0 | N-acylserotonin;
phenols | anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule |
| avenanthramide b | [no description available] | low | 0 | 0 | amidobenzoic acid;
cinnamamides;
monohydroxybenzoic acid;
monomethoxybenzene;
phenols;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
phytoalexin |
| vilanterol | [no description available] | low | 0 | 0 | benzyl alcohols;
dichlorobenzene;
ether;
phenols;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| lactonamycin | [no description available] | low | 0 | 0 | gamma-lactone;
organic heterohexacyclic compound;
phenols;
trideoxyhexose derivative | antibacterial agent;
antimicrobial agent;
metabolite |
| nigerloxin | [no description available] | low | 0 | 0 | aromatic ether;
benzamides;
benzoic acids;
phenols;
styrenes | antioxidant;
Aspergillus metabolite;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
lipoxygenase inhibitor;
radical scavenger |
| 1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| tmc-95b | [no description available] | low | 0 | 0 | indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol | antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor |
| 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
enone;
phenols | plant metabolite |
| cardanol | [no description available] | low | 0 | 0 | phenols | |
| glyceryl ferulate | [no description available] | low | 0 | 0 | 1-monoglyceride;
aromatic ether;
enoate ester;
phenols | antioxidant;
plant metabolite;
ultraviolet filter |
| laurinterol | [no description available] | low | 0 | 0 | organobromine compound;
phenols;
sesquiterpenoid | antibacterial agent;
apoptosis inducer;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
metabolite |
| 10-isobutyryloxy-8,9-epoxythymol isobutyrate | [no description available] | low | 0 | 0 | benzoate ester;
phenols | |
| olodaterol | [no description available] | low | 0 | 0 | aromatic ether;
benzoxazine;
phenols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent |
| diversonol | [no description available] | low | 0 | 0 | phenols;
tertiary alcohol | antibacterial agent;
metabolite |
| sarpagine | [no description available] | low | 0 | 0 | indole alkaloid;
phenols;
primary alcohol;
secondary amino compound;
tertiary amino compound | |
| 1-O-feruloyl-beta-D-glucose | [no description available] | low | 0 | 0 | aromatic ether;
beta-D-glucoside;
cinnamate ester;
phenols | antioxidant;
plant metabolite |
| ligstroside | [no description available] | low | 0 | 0 | beta-D-glucoside;
diester;
methyl ester;
phenols;
pyrans;
secoiridoid glycoside | antineoplastic agent;
plant metabolite |
| shamixanthone | [no description available] | low | 0 | 0 | cyclic ketone;
phenols;
pyranoxanthene | metabolite |
| siphonazole | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| vx-770 | [no description available] | low | 0 | 0 | aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone | CFTR potentiator;
orphan drug |
| 4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol | [no description available] | low | 0 | 0 | phenols | |
| 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| respirantin | [no description available] | low | 0 | 0 | benzamides;
cyclodepsipeptide;
formamides;
phenols | antimicrobial agent;
antineoplastic agent;
metabolite |
| 3,4-dihydroxyphenylethanol-elenolic acid dialdehyde | [no description available] | low | 0 | 0 | alcohol;
phenols | |
| avilamycin a | [no description available] | low | 0 | 0 | benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone | antimicrobial agent;
bacterial metabolite |
| cathestatin b | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound | antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite |
| bromophycolide a | [no description available] | low | 0 | 0 | diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol | anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite |
| diorcinol | [no description available] | low | 0 | 0 | aromatic ether;
phenols | fungal metabolite;
marine metabolite;
metabolite |
| n-trans-feruloyloctopamine | [no description available] | low | 0 | 0 | methoxybenzenes;
phenols | |
| marinopyrrole a | [no description available] | low | 0 | 0 | aromatic ketone;
organochlorine compound;
phenols;
pyrroles | antibacterial agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
marine metabolite |
| chondramide c | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| debromoaplysiatoxin | [no description available] | low | 0 | 0 | aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal | algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist |
| (E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde | [no description available] | low | 0 | 0 | 1-benzofurans;
aldehyde;
phenols | Aspergillus metabolite;
Chaetomium metabolite;
radical scavenger |
| 1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one | [no description available] | low | 0 | 0 | diarylheptanoid;
ketone;
phenols | plant metabolite |
| hordatine a | [no description available] | low | 0 | 0 | aromatic ether;
benzofurans;
dicarboxylic acid diamide;
guanidines;
phenols | adrenergic antagonist;
metabolite |
| chondramide a | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| quinolobactin | [no description available] | low | 0 | 0 | aromatic ether;
monohydroxyquinoline;
phenols;
quinolinemonocarboxylic acid | bacterial metabolite;
siderophore |
| novobiocin | [no description available] | low | 0 | 0 | carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols | antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent |
| ilicicolin h | [no description available] | low | 0 | 0 | aromatic ketone;
carbobicyclic compound;
ilicicolin;
monohydroxypyridine;
octahydronaphthalenes;
phenols;
pyridone | antimicrobial agent;
mitochondrial respiratory-chain inhibitor |
| naloxegol | [no description available] | low | 0 | 0 | aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol | cathartic;
mu-opioid receptor antagonist |
| fertaric acid | [no description available] | low | 0 | 0 | aromatic ether;
cinnamate ester;
dicarboxylic acid;
phenols;
tetraric acid derivative | |
| callipeltin a | [no description available] | low | 0 | 0 | cyclodepsipeptide;
guanidines;
lactone;
oligopeptide;
phenols | anti-HIV-1 agent;
antifungal agent;
metabolite |
| opt 80 | [no description available] | low | 0 | 0 | carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols | antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor |
| brasilicardin a | [no description available] | low | 0 | 0 | benzoate ester;
carbotricyclic compound;
diterpenoid;
N-acetyl-D-glucosaminide;
non-proteinogenic alpha-amino acid;
phenols | antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
immunosuppressive agent |
| ML355 | [no description available] | low | 0 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
| acarbose | [no description available] | low | 0 | 0 | chondramide;
indoles;
organochlorine compound;
phenols | antineoplastic agent;
bacterial metabolite |
| pf-06687252 | [no description available] | low | 0 | 0 | azabicycloalkane;
enone;
phenols;
pyridines | |
| chondramide d | [no description available] | low | 0 | 0 | chondramide;
indoles;
phenols | antineoplastic agent;
bacterial metabolite |
| biliatresone | [no description available] | low | 0 | 0 | aromatic ether;
aromatic ketone;
benzodioxoles;
enone;
phenols | plant metabolite;
toxin |
| can 508 | [no description available] | low | 0 | 0 | aromatic amine;
monoazo compound;
phenols;
pyrazoles | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
| quininib | [no description available] | low | 0 | 0 | phenols;
styrylquinoline | angiogenesis inhibitor |
| pp242 | [no description available] | low | 0 | 0 | aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine | antineoplastic agent;
mTOR inhibitor |
| dehydroluciferin | [no description available] | low | 0 | 0 | 1,3-thiazolemonocarboxylic acid;
benzothiazoles;
biaryl;
phenols | animal metabolite;
luciferin |
| sotorasib | [no description available] | low | 0 | 0 | acrylamides;
methylpyridines;
monofluorobenzenes;
N-acylpiperazine;
phenols;
pyridopyrimidine;
tertiary amino compound;
tertiary carboxamide | antineoplastic agent |
| tilimycin | [no description available] | low | 0 | 0 | phenols;
pyrrolobenzodiazepine | alkylating agent;
apoptosis inducer;
bacterial metabolite;
toxin |
| tyrphostin a1 | [no description available] | low | 0 | 0 | methoxybenzenes | geroprotector |
| anethole trithione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| dilazep | [no description available] | low | 0 | 0 | benzoate ester;
diazepane;
diester;
methoxybenzenes | cardioprotective agent;
platelet aggregation inhibitor;
vasodilator agent |
| guaifenesin | [no description available] | low | 0 | 0 | methoxybenzenes | |
| mefexamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| mescaline | [no description available] | low | 0 | 0 | methoxybenzenes;
phenethylamine alkaloid;
primary amino compound | hallucinogen |
| mofezolac | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| thonzylamine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| thonzylamine monohydrochloride | [no description available] | low | 0 | 0 | methoxybenzenes | |
| mephenoxalone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-(2-methoxyphenyl)acetamide | [no description available] | low | 0 | 0 | acetamides;
methoxybenzenes | |
| 2-methyl-4-methoxyaniline | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 4-methyl anisole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 4-anisidine | [no description available] | low | 0 | 0 | methoxybenzenes;
primary amino compound;
substituted aniline | genotoxin;
reagent |
| 3,4,5-trimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzoic acids;
methoxybenzenes | human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
| cresidine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1,3-dimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | |
| guaiacol carbonate | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 4-methoxy-3-phenylenediamine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1,2,3-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | plant metabolite |
| propanidid | [no description available] | low | 0 | 0 | methoxybenzenes | |
| arildone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| meobentine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 4-(4-Methoxyphenyl)-2-butanone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| trithiozine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1,2,4-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | |
| g 29505 | [no description available] | low | 0 | 0 | methoxybenzenes | |
| brodimoprim | [no description available] | low | 0 | 0 | aminopyrimidine;
bromobenzenes;
methoxybenzenes | antibacterial drug;
antiinfective agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| 1,3,5-trimethoxybenzene | [no description available] | low | 0 | 0 | methoxybenzenes | biomarker;
human xenobiotic metabolite |
| 4-iodoanisole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| moprolol | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3,5-dimethoxytoluene | [no description available] | low | 0 | 0 | methoxybenzenes;
toluenes | fragrance;
plant metabolite |
| zinniol | [no description available] | low | 0 | 0 | methoxybenzenes | |
| sr 95531 | [no description available] | low | 0 | 0 | methoxybenzenes | |
| cilomilast | [no description available] | low | 0 | 0 | methoxybenzenes | |
| n-demethyltramadol | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-(3,4,5-trimethoxyphenyl)-3H-1,3,4-oxadiazol-2-one | [no description available] | low | 0 | 0 | methoxybenzenes | |
| anthricin | [no description available] | low | 0 | 0 | furonaphthodioxole;
gamma-lactone;
lignan;
methoxybenzenes | antineoplastic agent;
apoptosis inducer;
plant metabolite |
| 7-(4-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| knipholone | [no description available] | low | 0 | 0 | aromatic ketone;
dihydroxyanthraquinone;
methoxybenzenes;
methyl ketone;
polyphenol;
resorcinols | antineoplastic agent;
antioxidant;
antiplasmodial drug;
leukotriene antagonist;
metabolite |
| yatein | [no description available] | low | 0 | 0 | benzodioxoles;
butan-4-olide;
lignan;
methoxybenzenes | plant metabolite |
| 8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine | [no description available] | low | 0 | 0 | 6-aminopurines;
acetylenic compound;
methoxybenzenes;
monochlorobenzenes;
organofluorine compound | antineoplastic agent;
Hsp90 inhibitor |
| 6-amino-4-(2-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
pyranopyrazole | |
| 6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-butyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
pyranopyrazole | |
| 5-(4-methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-(2-furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-(4-Methoxyphenyl)-2-nitroethylene | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| brd32048 | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| (4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| (3-bromo-4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-propyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-azepanyl-(4-methoxyphenyl)methanethione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 1-(4-methoxyphenyl)-3-[[oxo(thiophen-2-yl)methyl]amino]thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N2,N4-bis(4-methoxyphenyl)pyrimidine-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-(4-methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N4-(4-methoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-mercapto-5-(4-methoxyphenyl)-2-oxo-1,5-diazaspiro[5.5]undec-3-ene-3-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-[2-(3-methoxyanilino)-4-thiazolyl]phenol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-cyclohexyl-2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 3-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-thiazolidinone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-(4-methoxyphenyl)-2,4-dihydrothiazolo[3,2-a][1,3,5]triazin-6-one | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-(3-methoxyphenyl)-3-[[3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-(5-chloro-2-methoxyphenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-[(2-methoxyphenyl)methyl]acetamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzene | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(4-methoxyphenyl)-5-(2-methylpropylthio)-1,3,4-oxadiazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-2-pyrrolidinone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-(2-furanylmethyl)-3-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N'-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioic acid (2,5-dioxo-3-pyrrolidinyl) ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(1-adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydroisoxazole-5-carboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-cyclohexyl-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-(4-methoxyphenyl)-N-propan-2-yl-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-(2-furanylmethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-(3-methoxyphenyl)-N-(3-pyridinyl)-4,5-dihydroisoxazole-5-carboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-amino-6-ethyl-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methyl]-4,5-dihydropyrano[3,2-c]pyridine-3-carbonitrile | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-2H-pyridine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N4-(2-furanylmethyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-[(4-ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 2-[4-(4-methoxyphenyl)-2-thiazolyl]guanidine | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-(Chloroacetyl)-5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-thien-2-yl-4,5-dihydro-1H-pyrazole | [no description available] | low | 0 | 0 | methoxybenzenes | anticoronaviral agent |
| N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 3-hydroxy-6-(hydroxymethyl)-2-[(3-methoxyphenyl)-(2-pyridinylamino)methyl]-4-pyranone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[6-amino-2-(4-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 1-amino-3-(4-chloro-2-methoxy-5-methylphenyl)thiourea | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 6-(4-methoxyphenyl)-8-methyl-4-oxo-6H-pyrimido[2,1-b][1,3]thiazine-2,7-dicarboxylic acid O7-ethyl ester O2-methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| pterostilbene | [no description available] | low | 0 | 0 | diether;
methoxybenzenes;
stilbenol | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger |
| 4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-nitropyrazole | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 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 |
| 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| cardiogenol c | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 3-amino-2-cyano-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(5-chloro-2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]hexanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-3-methylbutanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]pentanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| aegeline | [no description available] | low | 0 | 0 | methoxybenzenes | |
| N-[(2-methoxyphenyl)methyl]-4-[[[2-(4-methyl-1-piperidinyl)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-1-cyclohexanecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| antrocamphin a | [no description available] | low | 0 | 0 | methoxybenzenes | anti-inflammatory agent;
metabolite |
| 2-[[4-(5-chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(3-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[[4-(4-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 4-[[4-(2-methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-1-butanol | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| [(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]-[5-[(4-chloro-2-methoxyphenoxy)methyl]-3-isoxazolyl]methanone | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-3-isoxazolecarboxamide | [no description available] | low | 0 | 0 | methoxybenzenes | |
| 1-(3-methoxyphenyl)-2-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine | [no description available] | low | 0 | 0 | methoxybenzenes;
substituted aniline | |
| 2-[(4-methoxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one | [no description available] | low | 0 | 0 | methoxybenzenes | |
| bemotrizinol | [no description available] | low | 0 | 0 | methoxybenzenes | |