Drug General Information
Drug ID
D02PLG
Former ID
DNC013861
Drug Name
4,5-Bis(4-methoxyphenyl)-3H-1,2-dithiole-3-thione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529881]
Structure
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2D MOL

3D MOL

Formula
C17H14O2S3
Canonical SMILES
COC1=CC=C(C=C1)C2=C(SSC2=S)C3=CC=C(C=C3)OC
InChI
1S/C17H14O2S3/c1-18-13-7-3-11(4-8-13)15-16(21-22-17(15)20)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
InChIKey
CLEJIKNYKPUJCS-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [529881]
BioCyc Pathway C20 prostanoid biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapse
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 529881Bioorg Med Chem. 2009 Jan 15;17(2):558-68. Epub 2008 Dec 6.Diaryl-dithiolanes and -isothiazoles: COX-1/COX-2 and 5-LOX-inhibitory, *OH scavenging and anti-adhesive activities.
Ref 529881Bioorg Med Chem. 2009 Jan 15;17(2):558-68. Epub 2008 Dec 6.Diaryl-dithiolanes and -isothiazoles: COX-1/COX-2 and 5-LOX-inhibitory, *OH scavenging and anti-adhesive activities.

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