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]
Structure		Download 2D MOL 3D MOL
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 527510	J 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 527510	J 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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