Drug Information

Drug General Information
Drug ID
D0BB2U
Former ID
DNC005464
Drug Name
4-(2-Oxo-2-phenyl-acetyl)-benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C15H10O4
Canonical SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)O
InChI
1S/C15H10O4/c16-13(10-4-2-1-3-5-10)14(17)11-6-8-12(9-7-11)15(18)19/h1-9H,(H,18,19)
InChIKey
MWJHDSAAGSURCA-UHFFFAOYSA-N
PubChem Compound ID
2385968
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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