Drug General Information
Drug ID	D0N0HK
Former ID	DNC005437
Drug Name	3,4,5,6-Tetrachloro-[1,2]benzoquinone
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527510]
Structure		Download 2D MOL 3D MOL
Formula	C6Cl4O2
Canonical SMILES	C1(=C(C(=O)C(=O)C(=C1Cl)Cl)Cl)Cl
InChI	1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey	VRGCYEIGVVTZCC-UHFFFAOYSA-N
PubChem Compound ID	73252
Target and Pathway
Target(s)	Cholinesterase	Target Info	Inhibitor	[527510]
	Acetylcholinesterase	Target Info	Inhibitor	[527510]
	Liver carboxylesterase	Target Info	Inhibitor	[527510]
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 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.
Ref 527510	J Med Chem. 2005 Apr 21;48(8):2906-15.Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

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