Drug Information

Drug General Information
Drug ID
D0K6PO
Former ID
DNC007858
Drug Name
Acenanthrene-9,10-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C16H8O2
Canonical SMILES
C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
InChI
1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
InChIKey
YAIBDWAANBTYIA-UHFFFAOYSA-N
PubChem Compound ID
316765
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.