Drug General Information
Drug ID	D05ZCX
Former ID	DNC007856
Drug Name	Thieno[3,2-e][1]benzothiophene-4,5-dione
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529103]
Structure		Download 2D MOL 3D MOL
Formula	C10H4O2S2
Canonical SMILES	C1=CSC2=C1C3=C(C(=O)C2=O)SC=C3
InChI	1S/C10H4O2S2/c11-7-8(12)10-6(2-4-14-10)5-1-3-13-9(5)7/h1-4H
InChIKey	MOUQKENTDKBOQJ-UHFFFAOYSA-N
PubChem Compound ID	44435802
Target and Pathway
Target(s)	Liver carboxylesterase	Target Info	Inhibitor	[529103]
KEGG Pathway	Drug metabolism - other enzymes
	Metabolic pathways
Pathway Interaction Database	E2F transcription factor network
WikiPathways	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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