Drug Information

Drug General Information
Drug ID
D03WOU
Former ID
DNC012872
Drug Name
1,2-Di-naphthalen-2-yl-ethane-1,2-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527692]
Formula
C22H14O2
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)C(=O)C3=CC4=CC=CC=C4C=C3
InChI
1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
InChIKey
CUUMQBIJNWGQLU-UHFFFAOYSA-N
PubChem Compound ID
3274712
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [527692]
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 527692J Med Chem. 2005 Aug 25;48(17):5543-50.Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety.
Ref 527692J Med Chem. 2005 Aug 25;48(17):5543-50.Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety.