Drug Information

Drug General Information
Drug ID
D0JH7C
Former ID
DNC007857
Drug Name
1,10-phenanthroline-5,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C12H6N2O2
Canonical SMILES
C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1
InChI
1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChIKey
KCALAFIVPCAXJI-UHFFFAOYSA-N
PubChem Compound ID
72810
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [529103]
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 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.
Ref 529103J Med Chem. 2007 Nov 15;50(23):5727-34. Epub 2007 Oct 17.Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.