Drug Information

Drug General Information
Drug ID
D0N8YZ
Former ID
DNC005474
Drug Name
1-(3,4-Dimethyl-phenyl)-2-phenyl-ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527510]
Formula
C16H14O2
Canonical SMILES
CC1=C(C=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C
InChI
1S/C16H14O2/c1-11-8-9-14(10-12(11)2)16(18)15(17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
UJARQLWFLLIFBN-UHFFFAOYSA-N
PubChem Compound ID
2427416
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.