Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0T5XC
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| Former ID |
DNC005475
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| Drug Name |
1-(4-Methoxy-phenyl)-2-phenyl-ethane-1,2-dione
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| Synonyms |
4-Methoxybenzil; p-Methoxybenzil; BENZIL, 4-METHOXY-; 22711-21-3; Ethanedione, (4-methoxyphenyl)phenyl-; NSC 39465; 1-(4-methoxyphenyl)-2-phenylethane-1,2-dione; BRN 2052507; NTINAJCDYRYMML-UHFFFAOYSA-N; NSC39465; Dibenzoyl, 4-methoxy; AC1L1LPW; Benzil-based compound, 20; 4-08-00-02532 (Beilstein Handbook Reference); SCHEMBL2156563; CHEMBL192474; BDBM22742; DTXSID40177245; MolPort-001-788-309; 4-Methoxybibenzyl-alpha,beta-dione; ZINC1671392; STK863335; NSC-39465; BBL023172; NSC602911; AKOS000298817; NSC-602911; MCULE-6173981634
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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 |
C15H12O3
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| Canonical SMILES |
COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2
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| InChI |
1S/C15H12O3/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3
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| InChIKey |
NTINAJCDYRYMML-UHFFFAOYSA-N
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| CAS Number |
CAS 22711-21-3
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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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