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]
Structure		Download 2D MOL 3D MOL
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 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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