| ID Source | ID |
|---|---|
| PubMed CID | 7590 |
| CHEMBL ID | 3183476 |
| CHEBI ID | 180411 |
| SCHEMBL ID | 112999 |
| MeSH ID | M0512261 |
| Synonym |
|---|
| CHEBI:180411 |
| nsc 406259 |
| alpha-toluic acid, ethyl ester |
| fema no. 2452 |
| ethyl alpha-toluate |
| brn 0509140 |
| einecs 202-993-8 |
| ai3-00654 |
| nsc8894 |
| 101-97-3 |
| ethyl phenylethanoate |
| phenylacetic acid, ethyl ester |
| ethyl 2-phenylethanoate |
| .alpha.-toluic acid, ethyl ester |
| ethyl .alpha.-toluate |
| ethyl phenacetate |
| nsc-8894 |
| ethyl benzeneacetate |
| ethyl phenylacetate |
| wln: 2ov1r |
| acetic acid, phenyl-, ethyl ester |
| phenyl-acetic acid, ethyl ester |
| ethyl 2-phenylacetate |
| phenylacetic acid ethyl ester |
| phenyl-acetic acid ethyl ester |
| benzeneacetic acid, ethyl ester |
| phenyl-acetic acid,ethyl ester |
| inchi=1/c10h12o2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7h,2,8h2,1h |
| nsc-406259 |
| nsc406259 |
| ethyl phenylacetate, >=98%, fcc, fg |
| ethyl phenylacetate, reagentplus(r), 99% |
| P0122 |
| AKOS000120516 |
| A800492 |
| NCGC00248178-01 |
| NCGC00254714-01 |
| cas-101-97-3 |
| tox21_300810 |
| dtxsid6044353 , |
| dtxcid4024353 |
| unii-v6cnz04d8o |
| v6cnz04d8o , |
| hsdb 8382 |
| ec 202-993-8 |
| 4-09-00-01618 (beilstein handbook reference) |
| FT-0626358 |
| ethyl phenylacetate [mi] |
| ethyl phenylacetate [fcc] |
| ethyl .alpha.-phenylacetate |
| ethyl phenylacetate [inci] |
| ethyl phenylacetate [fhfi] |
| ethyl-2-phenylacetate |
| SCHEMBL112999 |
| 2-phenylacetic acid ethyl ester |
| CHEMBL3183476 |
| ethyl phenylacetate, analytical standard |
| F0001-0055 |
| mfcd00009178 |
| D77783 |
| ethyl phenylacetate, natural, 98%, fg |
| ethyl phenylacetate, vetec(tm) reagent grade, 97.5% |
| alpha -toluic acid, ethyl ester |
| fema 2452 |
| ethyl alpha -toluate |
| CS-W016087 |
| Q27291591 |
| HY-W015371 |
| epha ester |
| ethyl alpha-phenylacetate |
| flavor and extract manufacturers' association no. 2452 |
| PD158318 |
| Class | Description |
|---|---|
| benzenes | Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| hypoxia-inducible factor 1 alpha subunit | Homo sapiens (human) | Potency | 0.1949 | 3.1890 | 29.8841 | 59.4836 | AID1224846 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 0.0015 | 0.0030 | 41.6115 | 22,387.1992 | AID1159553 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 61.6448 | 0.0010 | 19.4141 | 70.9645 | AID743191 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 2 (28.57) | 29.6817 |
| 2010's | 3 (42.86) | 24.3611 |
| 2020's | 2 (28.57) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|---|
| phenyl acetate | [no description available] | medium | 2 | 0 | benzenes; phenyl acetates | |
| phenylacetic acid | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid; phenylacetic acids | allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin |
| phenylalanine | [no description available] | medium | 2 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| isoleucine | [no description available] | medium | 1 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
| arabitol | [no description available] | medium | 1 | 0 | arabinitol | |
| 2-phenylethyl acetate | [no description available] | medium | 1 | 0 | acetate ester | metabolite; Saccharomyces cerevisiae metabolite |
| serine | [no description available] | medium | 1 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
| mannitol | [no description available] | medium | 1 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
| glycine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
| proline | [no description available] | medium | 1 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
| threonine | [no description available] | medium | 1 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; 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 |
| glutamic acid | [no description available] | medium | 1 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
| melamine formaldehyde | [no description available] | medium | 1 | 0 | ||
| iodine | [no description available] | medium | 1 | 0 | diatomic iodine | nutrient |
| benzonitrile | [no description available] | medium | 1 | 0 | benzenes; nitrile | |
| quinone | [no description available] | medium | 1 | 0 | 1,4-benzoquinones | cofactor; human xenobiotic metabolite; mouse metabolite |
| catechol | [no description available] | medium | 1 | 0 | catechols | allelochemical; genotoxin; plant metabolite |
| 3-phenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antifungal agent; human metabolite; plant metabolite |
| benzene | [no description available] | low | 0 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| gallopamil | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| mandelic acid | [no description available] | low | 0 | 0 | 2-hydroxy monocarboxylic acid; benzenes | antibacterial agent; human xenobiotic metabolite |
| 4-phenyl-3-furoxancarbonitrile | [no description available] | low | 0 | 0 | 1,2,5-oxadiazole; benzenes; N-oxide; nitrile | geroprotector; nitric oxide donor; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent |
| bencyclane | [no description available] | low | 0 | 0 | benzenes | |
| benzamidine | [no description available] | low | 0 | 0 | benzenes; carboxamidine | serine protease inhibitor |
| benzyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes; isothiocyanate | antibacterial drug |
| benzylhydrochlorothiazide | [no description available] | low | 0 | 0 | benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide | |
| carbetapentane | [no description available] | low | 0 | 0 | benzenes | |
| carbidopa | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| cetraxate | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| chlorpropham | [no description available] | low | 0 | 0 | benzenes; carbamate ester; monochlorobenzenes | herbicide; plant growth retardant |
| cimaterol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| clofilium | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| diphenidol | [no description available] | low | 0 | 0 | benzenes; piperidines; tertiary alcohol | antiemetic |
| cycloadiphenine | [no description available] | low | 0 | 0 | benzenes | |
| fenipentol | [no description available] | low | 0 | 0 | benzenes | |
| 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester | [no description available] | low | 0 | 0 | benzenes | |
| lidocaine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
| isocarboxazid | [no description available] | low | 0 | 0 | benzenes | |
| labetalol | [no description available] | low | 0 | 0 | benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound | |
| methadone | [no description available] | low | 0 | 0 | benzenes; diarylmethane; ketone; tertiary amino compound | |
| 3-Hydroxy-alpha-methyl-DL-tyrosine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| metolachlor | [no description available] | low | 0 | 0 | aromatic amide; benzenes; ether; organochlorine compound | |
| nafoxidine | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| nicardipine | [no description available] | low | 0 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
| phenprobamate | [no description available] | low | 0 | 0 | benzenes | |
| sulfabenzamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide antibiotic; sulfonamide | antibacterial drug; antimicrobial drug |
| sulfacytine | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| sulfamonomethoxine | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| sulfaquinoxaline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 2-phenylcyclopropan-1-amine | [no description available] | low | 0 | 0 | benzenes; cyclopropanes; primary amine | |
| tyropanoate | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| tolazoline hydrochloride | [no description available] | low | 0 | 0 | benzenes | |
| mebanazine | [no description available] | low | 0 | 0 | benzenes | |
| phencyclidine | [no description available] | low | 0 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
| caramiphen | [no description available] | low | 0 | 0 | benzenes | |
| acetyl sulfisoxazole | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 2-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | human xenobiotic metabolite |
| diphenyl | [no description available] | low | 0 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| styrene glycol | [no description available] | low | 0 | 0 | benzenes | |
| sulfaethidole | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| iophenoxic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| benzotrichloride | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; volatile organic compound | carcinogenic agent |
| benzal chloride | [no description available] | low | 0 | 0 | benzenes | |
| benzoyl chloride | [no description available] | low | 0 | 0 | acyl chloride; benzenes | carcinogenic agent |
| methylphenylsulfide | [no description available] | low | 0 | 0 | aryl sulfide; benzenes | |
| methyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| phenyl isocyanate | [no description available] | low | 0 | 0 | benzenes; isocyanates | allergen; hapten |
| 3-phenylpropanal | [no description available] | low | 0 | 0 | aldehyde; benzenes | flavouring agent; plant metabolite |
| 1,4-diethylbenzene | [no description available] | low | 0 | 0 | benzenes | |
| benzyl cyanide | [no description available] | low | 0 | 0 | benzenes; nitrile | animal metabolite; pheromone |
| pivalylbenzhydrazine | [no description available] | low | 0 | 0 | benzenes | |
| mexacarbate | [no description available] | low | 0 | 0 | benzenes | |
| carbutamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| methaphenilene | [no description available] | low | 0 | 0 | benzenes | |
| biphenylacetylene | [no description available] | low | 0 | 0 | arylacetylene; benzenes | fluorochrome |
| beclamide | [no description available] | low | 0 | 0 | benzenes | |
| mepiperphenidol | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| glybuthiazol | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| phenylacetylene | [no description available] | low | 0 | 0 | benzenes | |
| sulfanilylurea | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| metahexamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| nitrosobenzene | [no description available] | low | 0 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
| triphenylphosphine | [no description available] | low | 0 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
| 2-cyanophenol | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| bensulide | [no description available] | low | 0 | 0 | benzenes | |
| 1-phenylcyclohex-1-ene | [no description available] | low | 0 | 0 | benzenes | |
| diphenyl disulfide | [no description available] | low | 0 | 0 | benzenes | |
| 2-phenylpropanol | [no description available] | low | 0 | 0 | benzenes | |
| methyl phenyl sulfoxide | [no description available] | low | 0 | 0 | benzenes; sulfoxide | |
| 2,6-dimethoxybenzoic acid | [no description available] | low | 0 | 0 | benzenes; carbonyl compound | |
| phenylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| pyrazon | [no description available] | low | 0 | 0 | benzenes; organochlorine compound; primary amino compound; pyridazinone | environmental contaminant; herbicide; xenobiotic |
| 3-phenylpropylamine | [no description available] | low | 0 | 0 | benzenes; phenylalkylamine; primary amino compound | |
| aminorex | [no description available] | low | 0 | 0 | benzenes | |
| 5-phenylvaleric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| bitoscanate | [no description available] | low | 0 | 0 | benzenes | |
| 3-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | antibacterial agent; bacterial xenobiotic metabolite |
| teclozan | [no description available] | low | 0 | 0 | benzenes | |
| dioxacarb | [no description available] | low | 0 | 0 | benzenes | |
| fenestrel | [no description available] | low | 0 | 0 | benzenes | |
| propham | [no description available] | low | 0 | 0 | benzenes; carbamate ester | herbicide; plant growth retardant |
| cyanophenphos | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N'-methyl-N,N-diphenylurea | [no description available] | low | 0 | 0 | benzenes | |
| dibenzo-18-crown-6 | [no description available] | low | 0 | 0 | benzenes; crown ether | phase-transfer catalyst |
| clobutinol | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| ripazepam | [no description available] | low | 0 | 0 | benzenes | |
| u 40481 | [no description available] | low | 0 | 0 | benzenes; formamidines | marine xenobiotic metabolite |
| iprodione | [no description available] | low | 0 | 0 | benzenes; dichlorophenyl dicarboximide fungicide; imidazole fungicide; imidazolidine-2,4-dione; ureas | antifungal agrochemical; nematicide |
| clorsulon | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| ibutilide | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| prosulfocarb | [no description available] | low | 0 | 0 | benzenes; monothiocarbamic ester | environmental contaminant; herbicide; xenobiotic |
| Isopropyl phenylacetate | [no description available] | low | 0 | 0 | benzenes | |
| 4-methyl-1-phenylpentan-2-ol | [no description available] | low | 0 | 0 | benzenes | |
| magnesium salicylate | [no description available] | low | 0 | 0 | benzenes; carbonyl compound | |
| plerixafor | [no description available] | low | 0 | 0 | azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound | anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant |
| tribuzone | [no description available] | low | 0 | 0 | benzenes | |
| phenylpropiolic acid | [no description available] | low | 0 | 0 | acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes | |
| 2-Oxo-4-phenylbutyric acid | [no description available] | low | 0 | 0 | benzenes | |
| emopamil | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| bathophenanthroline | [no description available] | low | 0 | 0 | benzenes; phenanthrolines | chelator |
| 2-aminobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 3-phenylpropyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes | |
| 4-chloro-5-sulfamoylanthranilic acid | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| phenylheptatriyne | [no description available] | low | 0 | 0 | benzenes | |
| methyl mandelate | [no description available] | low | 0 | 0 | benzenes | |
| benzylphosphonic acid | [no description available] | low | 0 | 0 | benzenes | |
| 9,10-bis(phenylethynyl)anthracene | [no description available] | low | 0 | 0 | anthracenes; arylacetylene; benzenes | fluorochrome |
| 4-phenylbutylamine | [no description available] | low | 0 | 0 | benzenes; phenylalkylamine; primary amino compound | |
| 3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| sdds | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 1-hydroxy-1-phenyl-2-propanone | [no description available] | low | 0 | 0 | benzenes; methyl ketone; secondary alpha-hydroxy ketone | |
| silomat | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| phenylisopropyladenosine | [no description available] | low | 0 | 0 | aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound | adenosine A1 receptor agonist; neuroprotective agent |
| alpha-Cyclohexylmandelic acid | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-1-phenylmethyl phosphonic acid | [no description available] | low | 0 | 0 | benzenes; phosphonic acids; primary amino compound | |
| alpha-methylphenylalanine | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| piscidic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| mitiglinide | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide | [no description available] | low | 0 | 0 | benzenes; coumarins; maleimides; tertiary amino compound | fluorescent dye |
| 4-phenylbutyl isothiocyanate | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| n-acetylphenelzine | [no description available] | low | 0 | 0 | benzenes | |
| forasartan | [no description available] | low | 0 | 0 | benzenes; pyridines; tetrazoles; triazoles | angiotensin receptor antagonist; antihypertensive agent |
| desethyloxybutynin | [no description available] | low | 0 | 0 | benzenes | |
| varespladib | [no description available] | low | 0 | 0 | aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor |
| 3,5-dihydroxyphenylpropionic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| fukiic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| monodesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| cyclodrine | [no description available] | low | 0 | 0 | benzenes | |
| didesmethylcitalopram | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| carlina oxide | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| benzyl d-glucopyranoside | [no description available] | low | 0 | 0 | benzenes; beta-D-glucoside | plant metabolite |
| cafenstrole | [no description available] | low | 0 | 0 | benzenes; sulfone; triazoles | agrochemical; antimitotic; herbicide |
| (5-Phenyl-1,2,4-triazol-3-yl)urea | [no description available] | low | 0 | 0 | benzenes | |
| pifithrin mu | [no description available] | low | 0 | 0 | benzenes | |
| 2-(2-phenylethyl)chromone | [no description available] | low | 0 | 0 | benzenes; chromones | plant metabolite |
| bms 214662 | [no description available] | low | 0 | 0 | benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes | antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
| N-bis(N-methylanilino)phosphoryl-N-methylaniline | [no description available] | low | 0 | 0 | benzenes | |
| 3-[di(propan-2-yl)phosphorylmethyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 4,5-diphenyl-1,2,3-triazole | [no description available] | low | 0 | 0 | benzenes; ring assembly; triazoles | |
| N-benzylquinazolin-4-amine | [no description available] | low | 0 | 0 | benzenes; quinazolines; secondary amino compound | |
| 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile | [no description available] | low | 0 | 0 | benzenes | |
| thiobenzamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine | [no description available] | low | 0 | 0 | aryl sulfide; benzenes; thienopyrimidine | |
| 4-[(4-chloro-5-dithiazolylidene)amino]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N-methyl-N-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 3,6-dibenzyl-1,2-dihydro-1,2,4,5-tetraazine | [no description available] | low | 0 | 0 | benzenes | |
| 1-cyclohexyl-3-(2-phenylethyl)urea | [no description available] | low | 0 | 0 | benzenes | |
| 5-ethyl-1-(phenylmethyl)-1,3,5-triazinane-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-amino-N-(4-ethoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester | [no description available] | low | 0 | 0 | benzenes | |
| 1,3-bis(2-phenylethyl)thiourea | [no description available] | low | 0 | 0 | benzenes | |
| 8-methyl-2-phenyl-1,2,4-triazaspiro[4.5]decane-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 6-(2-phenylethyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | [no description available] | low | 0 | 0 | benzenes; triazolothiadiazole | |
| 4-(2-furanylmethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-(1H-imidazol-1-ylmethyl)benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,5-dimethyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-amino-3-[3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-(3-phenylpropyl)methanesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-ethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea | [no description available] | low | 0 | 0 | benzenes | |
| N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| amn082 | [no description available] | low | 0 | 0 | benzenes; diamine; diarylmethane; secondary amino compound | metabotropic glutamate receptor agonist; neuroprotective agent |
| 2-(2-furanyl)-3,5-dimethyl-4-oxido-6-phenylpyrazin-1-ium 1-oxide | [no description available] | low | 0 | 0 | benzenes | |
| N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| N1-phenethylhydrazine-1-carbothioamide | [no description available] | low | 0 | 0 | benzenes | |
| 1-hydroxy-5,5-dimethyl-2-phenyltetrahydro-4H-imidazole-4-thione | [no description available] | low | 0 | 0 | benzenes | |
| 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| N-(cyclopropylmethyl)-N'-phenylurea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[(4-chlorophenyl)methoxy]-6-methoxybenzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 2-(4-pentylphenyl)acetic acid | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| k 858 | [no description available] | low | 0 | 0 | benzenes | |
| 4-[[[4-(2-furanylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 9-oxo-N-(1-phenylethyl)-3-bicyclo[3.3.1]nonanecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N1,N4-bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-phenyl-3H-thiazole-2-thione | [no description available] | low | 0 | 0 | benzenes | |
| sulfatolamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| ifetroban | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| 1-[(2-ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea | [no description available] | low | 0 | 0 | benzenes | |
| 2-[6-amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester | [no description available] | low | 0 | 0 | benzenes; pyranopyrazole | |
| 3-phenyl-3-(1-tetrazolyl)propanoic acid | [no description available] | low | 0 | 0 | benzenes; monocarboxylic acid | |
| 3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide | [no description available] | low | 0 | 0 | benzenes | |
| 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| N'-[5-(phenylmethyl)-4,5-dihydrothiazol-2-yl]hexanehydrazide | [no description available] | low | 0 | 0 | benzenes | |
| 5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione | [no description available] | low | 0 | 0 | benzenes | |
| 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione | [no description available] | low | 0 | 0 | benzenes; thiadiazolidine | anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide | [no description available] | low | 0 | 0 | benzenes | |
| N-[2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| 1-(1-adamantyl)-3-[1-(phenylmethyl)-4-pyrazolyl]urea | [no description available] | low | 0 | 0 | benzenes | |
| neticonazole | [no description available] | low | 0 | 0 | aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide | antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
| l796778 | [no description available] | low | 0 | 0 | benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas | somatostatin receptor agonist |
| l803087 | [no description available] | low | 0 | 0 | benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide | somatostatin receptor agonist |
| ro 4-6790 | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| bay 11-7085 | [no description available] | low | 0 | 0 | benzenes; nitrile; sulfone | anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor |
| gluconasturtiin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid; benzenes | |
| DPI2 | [no description available] | low | 0 | 0 | benzenes; morpholines; secondary carboxamide; tertiary amino compound; thiazolidinone | ferroptosis inducer |
| l 744832 | [no description available] | low | 0 | 0 | benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol | antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector |
| glucotropeolin | [no description available] | low | 0 | 0 | aralkylglucosinolic acid; benzenes | |
| 5-(4-phenylbutoxy)psoralen | [no description available] | low | 0 | 0 | aromatic ether; benzenes; psoralens | geroprotector; immunosuppressive agent; potassium channel blocker |
| ro 25-6981 | [no description available] | low | 0 | 0 | benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound | anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist |
| bm 567 | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| varespladib methyl | [no description available] | low | 0 | 0 | aromatic ether; benzenes; indoles; methyl ester; primary carboxamide | anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug |
| npi 2358 | [no description available] | low | 0 | 0 | 2,5-diketopiperazines; benzenes; imidazoles; olefinic compound | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent |
| chlorobactene | [no description available] | low | 0 | 0 | benzenes; carotenoid phi-end group; carotenoid | bacterial metabolite |
| ws-5995 c | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| phevalin | [no description available] | low | 0 | 0 | benzenes; pyrazinone | bacterial metabolite; calpain inhibitor |
| np 031112 | [no description available] | low | 0 | 0 | benzenes; naphthalenes; thiadiazolidine | anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent |
| ym 216391 | [no description available] | low | 0 | 0 | 1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide | antineoplastic agent; bacterial metabolite |
| 3-(4-nitrophenyl)-N-(4-phenylbutyl)-5-(phenylmethyl)-4,6-dihydro-3aH-pyrrolo[3,4-d]isoxazole-6a-carboxamide | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| SYC-435 | [no description available] | low | 0 | 0 | benzenes; cyclic hydroxamic acid; pyridone | antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
| trelagliptin | [no description available] | low | 0 | 0 | benzenes; nitrile | |
| 1-hydroxy-5-nitro-N-(2-phenylethyl)-4-spiro[benzimidazole-2,1'-cyclohexane]imine | [no description available] | low | 0 | 0 | benzenes | |
| 5-methyl-5-pentyl-2-phenyl-1,2,4-triazolidine-3-thione | [no description available] | low | 0 | 0 | benzenes | |
| N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide | [no description available] | low | 0 | 0 | benzenes | |
| (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine | [no description available] | low | 0 | 0 | benzenes | |
| phenylmercuric acetate | [no description available] | low | 0 | 0 | arylmercury compound; benzenes | |
| sm 164 | [no description available] | low | 0 | 0 | benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles | antineoplastic agent; apoptosis inducer; radiosensitizing agent |
| 5-Methyl-1-phenyl-3-hexanyl sulfamate | [no description available] | low | 0 | 0 | benzenes | |
| 1-(3-methoxyphenyl)-3-(4-phenylbutyl)urea | [no description available] | low | 0 | 0 | benzenes; organic amino compound | |
| niraparib | [no description available] | low | 0 | 0 | benzenes; indazoles; piperidines; primary carboxamide | antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor |
| n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amide | [no description available] | low | 0 | 0 | benzenes | |
| 1,1,1,2,2-pentafluoro-7-phenylheptan-3-one | [no description available] | low | 0 | 0 | benzenes | |
| 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline | [no description available] | low | 0 | 0 | benzenes; sulfonamide | |
| difenacoum | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| warfarin | [no description available] | low | 0 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
| bromfenacoum | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| flocoumafen | [no description available] | low | 0 | 0 | benzenes; naphthalenes; ring assembly | |
| gsk2879552 | [no description available] | low | 0 | 0 | benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound | antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|