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]
Structure
Download
2D MOL

3D MOL
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.

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