Drug Information

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]
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 529103J 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 529103J 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.