Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0F3RN
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| Former ID |
DNC005465
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| Drug Name |
1-(4-Chloro-phenyl)-2-phenyl-ethane-1,2-dione
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| Synonyms |
4-Chlorobenzil; 22711-23-5; 1-(4-chlorophenyl)-2-phenylethane-1,2-dione; 4-Chlorodibenzoyl; (p-Chlorophenyl)phenylethanedione; QDCKVAZDINMMHO-UHFFFAOYSA-N; 1-(4-Chlorophenyl)-2-phenylethan-1,2-dione; 1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione; 1,2-Ethanedione,1-(4-chlorophenyl)-2-phenyl-; p-Chlorbenzil; EINECS 245-169-3; ACMC-20amkt; 1-(4-Chloro-phenyl)-2-phenyl-ethane; AC1L3IMU; Benzil-based compound, 15; SCHEMBL912515; CHEMBL192180; CTK4F0011; BDBM22737; DTXSID00177246; 4-Chlorobibenzyl-alpha,beta-dione; MolPort-001-763-274
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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 |
C14H9ClO2
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| Canonical SMILES |
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)Cl
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| InChI |
1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
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| InChIKey |
QDCKVAZDINMMHO-UHFFFAOYSA-N
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| CAS Number |
CAS 22711-23-5
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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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