Drug General Information
Drug ID	D0WX6R
Former ID	DNC007852
Drug Name	5,6-dinitroacenaphthoquinone
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529103]
Structure		Download 2D MOL 3D MOL
Formula	C12H4N2O6
Canonical SMILES	C1=CC(=C2C(=CC=C3C2=C1C(=O)C3=O)[N+](=O)[O-])[N+](=O)[O<br />-]
InChI	1S/C12H4N2O6/c15-11-5-1-3-7(13(17)18)10-8(14(19)20)4-2-6(9(5)10)12(11)16/h1-4H
InChIKey	HKNXJYVCBQHLBT-UHFFFAOYSA-N
PubChem Compound ID	3477013
Target and Pathway
Target(s)	Cholinesterase	Target Info	Inhibitor	[529103]
	Acetylcholinesterase	Target Info	Inhibitor	[529103]
	Liver carboxylesterase	Target Info	Inhibitor	[529103]
KEGG Pathway	Glycerophospholipid metabolism
	Cholinergic synapsehsa00983: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 pathwayP00042:Muscarinic acetylcholine receptor 1 and 3 signaling pathway
	Nicotinic acetylcholine receptor signaling pathway
Pathway Interaction Database	ATF-2 transcription factor networke2f_pathway:E2F transcription factor network
PathWhiz Pathway	Phospholipid Biosynthesis
WikiPathways	Irinotecan PathwayWP727:Monoamine Transport
	Biogenic Amine Synthesis
	Acetylcholine Synthesis
	Integrated Pancreatic Cancer PathwayWP2884:NRF2 pathway
	Nuclear Receptors Meta-Pathway
	Heroin metabolism
	Irinotecan Pathway
	Fluoropyrimidine Activity
	Phase I biotransformations, non P450
References
Ref 529103	J 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 529103	J 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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