Drug Information

Drug General Information
Drug ID
D0D7FN
Former ID
DNC005478
Drug Name
1-(4-Nitro-phenyl)-2-phenyl-ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C14H9NO4
Canonical SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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
InChIKey
GPDKREBNFFEDHW-UHFFFAOYSA-N
PubChem Compound ID
283893
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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