Drug Information

Drug General Information
Drug ID
D06VGD
Former ID
DNC007859
Drug Name
ACENAPHTHOQUINONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529103]
Formula
C12H6O2
Canonical SMILES
C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
InChI
1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
PubChem Compound ID
6724
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.

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