Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0D7FN
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| Former ID |
DNC005478
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| Drug Name |
1-(4-Nitro-phenyl)-2-phenyl-ethane-1,2-dione
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| Synonyms |
4-Nitrobenzil; 1-(4-nitrophenyl)-2-phenylethane-1,2-dione; 22711-24-6; Benzil, 4-nitro-; p-Nitrobenzil; Ethanedione, (4-nitrophenyl)phenyl-; NSC139153; Benzil-based compound, 27; AC1Q5B1C; AC1L5ZN0; SCHEMBL1370034; CHEMBL192589; BDBM22749; CTK4F0012; 4-Nitrobibenzyl-alpha,beta-dione; DTXSID10300826; GPDKREBNFFEDHW-UHFFFAOYSA-N; MolPort-000-146-024; ZX-AT021384; ZINC2555760; STK325617; SBB101571; AKOS004902243; OR28786; NSC-139153; MCULE-2855880102; ACM22711246; KB-147450; DB-045974; FT-0605764; ST51043016
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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 |
C14H9NO4
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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| InChI |
1S/C14H9NO4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H
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| InChIKey |
GPDKREBNFFEDHW-UHFFFAOYSA-N
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| CAS Number |
CAS 22711-24-6
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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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