Drug Information
Drug General Information | Top | |||
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Drug ID |
D05EYA
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Former ID |
DNC005452
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Drug Name |
1,2-Bis-(4-chloro-phenyl)-ethane-1,2-dione
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Synonyms |
4,4'-Dichlorobenzil; 3457-46-3; 1,2-bis(4-chlorophenyl)ethane-1,2-dione; 4,4'-Dichlorodibenzoyl; BIS(4-CHLOROPHENYL)ETHANEDIONE; 1,2-Bis-(4-chloro-phenyl)-ethane-1,2-dione; Ethanedione, bis(4-chlorophenyl)-; Bis(p-chlorophenyl)ethanedione; 1,2-bis(4-chlorophenyl)-1,2-ethanedione; bis(4-chlorophenyl)ethane-1,2-dione; 88372-92-3; 1,2-Ethanedione, 1,2-bis(4-chlorophenyl)-; Benzil, 4,4'-dichloro-; dichlorbenzil; C14H8Cl2O2; NSC274; NSC 274; EINECS 222-387-7; PubChem3923; p-p'-Dichloro-benzil; Benzil,4'-dichloro-; 4,4'-Dichloro benz
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C14H8Cl2O2
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Canonical SMILES |
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Cl)Cl
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InChI |
1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
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InChIKey |
XMAWUPHYEABFDR-UHFFFAOYSA-N
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CAS Number |
CAS 3457-46-3
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PubChem Compound ID |
Target and Pathway | Top | |||
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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 | |||
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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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