Drug General Information
Drug ID
D0G7RA
Former ID
DNC013863
Drug Name
4-(4-Chlorophenyl)-5-p-tolyl-3H-1,2-dithiol-3-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529881]
Structure
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2D MOL

3D MOL

Formula
C16H11ClOS2
Canonical SMILES
CC1=CC=C(C=C1)C2=C(C(=O)SS2)C3=CC=C(C=C3)Cl
InChI
1S/C16H11ClOS2/c1-10-2-4-12(5-3-10)15-14(16(18)20-19-15)11-6-8-13(17)9-7-11/h2-9H,1H3
InChIKey
NLGIFTIQVVCDPR-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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