Drug General Information
Drug ID	D0F5VY
Former ID	DNC007851
Drug Name	NSC-23180
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529103]
Structure		Download 2D MOL 3D MOL
Formula	C14H7NO4
Canonical SMILES	C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O
InChI	1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H
InChIKey	KNAXWOBOCVVMST-UHFFFAOYSA-N
PubChem Compound ID	94860
Target and Pathway
Target(s)	Acetylcholinesterase	Target Info	Inhibitor	[529103]
	Liver carboxylesterase	Target Info	Inhibitor	[529103]
	Cholinesterase	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	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 P450WP229:Irinotecan Pathway
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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