Drug General Information
Drug ID	D01XGP
Former ID	DNC007854
Drug Name	1,2-indanedione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529103]
Structure		Download 2D MOL 3D MOL
Formula	C9H6O2
Canonical SMILES	C1C2=CC=CC=C2C(=O)C1=O
InChI	1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2
InChIKey	WFFZGYRTVIPBFN-UHFFFAOYSA-N
PubChem Compound ID	123358
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[529103]
	Cholinesterase	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	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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.