Drug Information

Drug General Information
Drug ID
D06FFD
Former ID
DNC005454
Drug Name
1,2-Bis-(4-bromo-phenyl)-ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C14H8Br2O2
Canonical SMILES
C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
InChI
1S/C14H8Br2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
NYCBYBDDECLFPE-UHFFFAOYSA-N
PubChem Compound ID
96430
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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