Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0BB2U
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| Former ID |
DNC005464
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| Drug Name |
4-(2-Oxo-2-phenyl-acetyl)-benzoic acid
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| Synonyms |
4-(2-oxo-2-phenylacetyl)benzoic acid; 72857-25-1; 4-(2-Oxo-2-phenyl-acetyl)-benzoic acid; MLS000775407; SMR000368487; Opera_ID_465; Benzil-based compound, 14; AC1M5V1J; CHEMBL370059; SCHEMBL2156860; 4-(oxophenylacetyl)benzoic acid; BDBM22736; CTK5D6959; DTXSID10368385; MolPort-000-510-282; HMS2753L08; 4-[oxo(phenyl)acetyl]benzoic acid; ZINC3269660; ZX-AL000632; STK246909; SBB039312; AKOS000267727; MCULE-7710064147; Benzoic acid,4-(2-oxo-2-phenylacetyl)-; KB-237683; ST50160330
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H10O4
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)O
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| InChI |
1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
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| InChIKey |
MWJHDSAAGSURCA-UHFFFAOYSA-N
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| CAS Number |
CAS 72857-25-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15. | |||
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