Drug Information

Drug General Information
Drug ID
D03HZT
Former ID
DNC005453
Drug Name
1,2-Bis-(2-chloro-phenyl)-ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C14H8Cl2O2
Canonical SMILES
C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
InChI
1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKey
VOSNNSVWVJFJCR-UHFFFAOYSA-N
PubChem Compound ID
89076
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [527510]
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
Ref 527510J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Ref 527510J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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