Drug Information

Drug General Information
Drug ID
D0Q2YJ
Former ID
DNC007853
Drug Name
Phenanthrene-9,10-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C14H8O2
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
InChI
1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey
YYVYAPXYZVYDHN-UHFFFAOYSA-N
PubChem Compound ID
6763
Target and Pathway
Target(s) Cholinesterase Target Info Inhibitor [529103]
Liver carboxylesterase Target Info Inhibitor [529103]
KEGG Pathway Drug metabolism - other enzymes
Metabolic pathways
PANTHER Pathway Muscarinic acetylcholine receptor 1 and 3 signaling pathway
Muscarinic acetylcholine receptor 2 and 4 signaling pathway
Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database E2F transcription factor network
WikiPathways Irinotecan PathwayWP2884: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.