Substance | Relationship Strength | Studies | Trials | Classes | Roles |
acridone acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9. | 2.17 | 1 | 0 | acridines; cyclic ketone | |
ethacridine Ethacridine: A topically applied anti-infective agent. | 2.17 | 1 | 0 | acridines | |
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. | 2.17 | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
camphor, (+-)-isomer [no description available] | 2.17 | 1 | 0 | bornane monoterpenoid; cyclic monoterpene ketone | plant metabolite |
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. | 2.17 | 1 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
clemizole clemizole: was heading 1966-94 (see under BENZIMIDAZOLES 1966-90); use BENZIMIDAZOLES to search CLEMIZOLE 1966-94; a histamine H1- blocker used to treat allergies. clemizole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a pyrrolidin-1-ylmethyl and a 4-chlorobenzyl groups at positions 2 and 1 respectively. | 3.31 | 1 | 0 | benzimidazoles; monochlorobenzenes; pyrrolidines | histamine antagonist |
clotrimazole [no description available] | 2.15 | 1 | 0 | conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes | antiinfective agent; environmental contaminant; xenobiotic |
econazole Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.. econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.. 1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. | 2.15 | 1 | 0 | dichlorobenzene; ether; imidazoles; monochlorobenzenes | |
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group. | 2.17 | 1 | 0 | aromatic ether; hydrazone; nitrile; organofluorine compound | ATP synthase inhibitor; geroprotector; ionophore |
itraconazole [no description available] | 2.15 | 1 | 0 | piperazines | |
kojic acid [no description available] | 2.13 | 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 |
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes. | 2.15 | 1 | 0 | dichlorobenzene; ether; imidazoles | |
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. | 2.17 | 1 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source | 2.17 | 1 | 0 | benzimidazoles; pyridazinone | cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent |
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME. | 2.17 | 1 | 0 | diarylmethane | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | 2.15 | 1 | 0 | aromatic primary alcohol; furans; indazoles | antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. | 2 | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
camphene camphene : A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. | 2.13 | 1 | 0 | carbobicyclic compound; monoterpene | fragrance; plant metabolite |
n-isopropyl-n-phenyl-4-phenylenediamine N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group. | 2.17 | 1 | 0 | N-substituted diamine | allergen; antioxidant |
3-amino-9-ethylcarbazole 3-amino-9-ethylcarbazole: RN given refers to parent cpd | 2.17 | 1 | 0 | carbazoles | |
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil. | 2.17 | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
2,4,6-trichlorophenyl 4-nitrophenyl ether 2,4,6-trichlorophenyl 4-nitrophenyl ether: structure | 2.17 | 1 | 0 | aromatic ether; C-nitro compound; chlorobenzenes | EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
2-phenylthiazolidine-4-carboxylic acid 2-phenylthiazolidine-4-carboxylic acid: RN given refers to cpd without isomeric designation | 2.17 | 1 | 0 | | |
mibefradil Mibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE. | 2.15 | 1 | 0 | tetralins | T-type calcium channel blocker |
benz(cd)indol-2(1h)-one benz(cd)indol-2(1H)-one: structure in first source | 2.17 | 1 | 0 | | |
tetraphenylcyclopentadienone tetraphenylcyclopentadienone: singlet oxygen trapping agent | 2.17 | 1 | 0 | stilbenoid | |
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available] | 2.17 | 1 | 0 | 1,2,4-triazines | |
honokiol [no description available] | 2.17 | 1 | 0 | biphenyls | |
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7. | 2.17 | 1 | 0 | benzenes; phenanthrolines | chelator |
2-phenyl-4,5-dichloro-3-pyridazinone [no description available] | 2.17 | 1 | 0 | | |
n-benzylmaleimide [no description available] | 2.17 | 1 | 0 | | |
phenylglycine nitrile phenylglycine nitrile: structure in first source | 2.17 | 1 | 0 | | |
4,5-dimethyl-1,2-phenylenediamine 4,5-dimethyl-1,2-phenylenediamine: RN given refers to parent cpd | 2.17 | 1 | 0 | | |
mmv665852 MMV665852: an antischistosomal agent | 2.17 | 1 | 0 | | |
n-(2-methoxyphenyl)maleimide N-(2-methoxyphenyl)maleimide: structure given in first source | 2.17 | 1 | 0 | | |
2-aminoperimidine 2-aminoperimidine: inhibits bacterial NhaA Na/H+ antiporters; structure in first source | 2.17 | 1 | 0 | | |
1,3-bis(3-chlorophenyl)urea [no description available] | 2.17 | 1 | 0 | ureas | |
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source | 2.17 | 1 | 0 | | |
ml 204 ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | 3.31 | 1 | 0 | | |
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione [no description available] | 2.17 | 1 | 0 | 1,4-naphthoquinones | |
N-butyl-1H-benzimidazol-2-amine [no description available] | 3.31 | 1 | 0 | benzimidazoles | |
mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | 2.17 | 1 | 0 | | |
1,3-bis(3,5-dichlorophenyl)urea 1,3-bis(3,5-dichlorophenyl)urea: COH - City of Hope; has antineoplastic activity | 2.17 | 1 | 0 | | |
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively. | 2.17 | 1 | 0 | | |
cinnamoylglycine cinnamoylglycine: structure given in first source. N-cinnamoylglycine : An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl). | 2.17 | 1 | 0 | N-acylglycine | metabolite |
4-(4-ethoxyphenyl)-4-oxobutanoic acid [no description available] | 2.17 | 1 | 0 | aromatic ketone | |
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available] | 2.17 | 1 | 0 | pyrazoles; ring assembly | |
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide [no description available] | 2.17 | 1 | 0 | aromatic amide | |
nootkatone nootkatone: RN given refers to cpd without isomeric designation; structure given in first source. (+)-nootkatone : A sesquiterpenoid that is 4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one which is substituted by methyl groups at positions 4 and 4a, and by an isopropenyl group at position 6 (the 4R,4aS,6R stereoisomer). | 2.13 | 1 | 0 | carbobicyclic compound; enone; sesquiterpenoid | fragrance; insect repellent; plant metabolite |
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide [no description available] | 2.17 | 1 | 0 | benzamides | |
3-(4-morpholinyl)-4-(2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarboxamide [no description available] | 2.17 | 1 | 0 | pyrazolopyridine | |
caryophyllene oxide caryophyllene oxide: has butyrylcholinesterase inhibitory activity; structure in first source. epoxide : Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. | 2.13 | 1 | 0 | epoxide | metabolite |
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole [no description available] | 2.17 | 1 | 0 | sulfonamide | |
4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester [no description available] | 2.17 | 1 | 0 | methoxybenzoic acid | |
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available] | 2.17 | 1 | 0 | benzimidazoles | |
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester [no description available] | 2.17 | 1 | 0 | aromatic ether | |
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available] | 2.17 | 1 | 0 | benzoxazole | |
3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole [no description available] | 2.17 | 1 | 0 | tetralins | |
6-hydroxy-4-methyl-2-phenyl-2,3-dihydropyridazin-3-one [no description available] | 2.17 | 1 | 0 | pyridazinone | |
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea : An member of the class of phenylureas that is urea having 4-chlorophenyl and 4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl groups attached at positions 1 and 3 respectively. | 2.17 | 1 | 0 | 1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes | |
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide [no description available] | 2.17 | 1 | 0 | carbonyl compound; organohalogen compound | |
bi-78d3 [no description available] | 2.17 | 1 | 0 | aryl sulfide | |
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide N-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide: activates the plant defense response; structure in first source. tiadinil : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid with the amino group of 3-chloro-4-methylaniline. It is a fungicide used particularly for the control of fungal diseases in rice. | 2.17 | 1 | 0 | anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles | antifungal agrochemical |
N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide [no description available] | 2.17 | 1 | 0 | (trifluoromethyl)benzenes | |
2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile [no description available] | 2.17 | 1 | 0 | phenylpyridine | |
2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine [no description available] | 2.17 | 1 | 0 | aryl sulfide | |
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester [no description available] | 2.17 | 1 | 0 | thiophenecarboxylic acid | |
1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea [no description available] | 2.17 | 1 | 0 | ureas | |
4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine [no description available] | 2.17 | 1 | 0 | isoquinolines | |
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone [no description available] | 2.17 | 1 | 0 | quinazolines | |
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone [no description available] | 2.17 | 1 | 0 | benzimidazoles | |
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate [no description available] | 2.17 | 1 | 0 | organic molecular entity | |
7-chloro-N-(phenylmethyl)-4-quinolinamine [no description available] | 2.17 | 1 | 0 | aminoquinoline | |
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine [no description available] | 2.17 | 1 | 0 | aminoquinoline | |
quercetin [no description available] | 3.31 | 1 | 0 | 7-hydroxyflavonol; pentahydroxyflavone | antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger |
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia. | 3.31 | 1 | 0 | trihydroxyflavone | antineoplastic agent; metabolite |
luteolin [no description available] | 3.31 | 1 | 0 | 3'-hydroxyflavonoid; tetrahydroxyflavone | angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist |
kaempferol [no description available] | 3.31 | 1 | 0 | 7-hydroxyflavonol; flavonols; tetrahydroxyflavone | antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite |
galangin 5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source. galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells. | 3.31 | 1 | 0 | 7-hydroxyflavonol; trihydroxyflavone | antimicrobial agent; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; plant metabolite |
myricetin [no description available] | 3.31 | 1 | 0 | 7-hydroxyflavonol; hexahydroxyflavone | antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite |
cyclosporine ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF | 2 | 1 | 0 | homodetic cyclic peptide | anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite |
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester [no description available] | 3.31 | 1 | 0 | pyrazoles; ring assembly | |
2-acetylpyridine thiosemicarbazone 2-acetylpyridine thiosemicarbazone: RN given refers to parent cpd | 2.17 | 1 | 0 | | |
alpha-cyperone alpha-cyperone: isolated from the rhizomes of Cyperus rotundus; structure in first source | 2.13 | 1 | 0 | | |
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source | 2.17 | 1 | 0 | | |
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist | 2.17 | 1 | 0 | | |
valencene valencene: structure in first source. (+)-valencene : A carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer). | 2.13 | 1 | 0 | carbobicyclic compound; polycyclic olefin; sesquiterpene | |
ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: structure in first source | 3.31 | 1 | 0 | | |