Drug General Information
Drug ID
D03TLR
Former ID
DNC013856
Drug Name
5-(4-Chlorophenyl)-4-p-tolylisothiazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529881]
Structure
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2D MOL

3D MOL

Formula
C16H12ClNS
Canonical SMILES
CC1=CC=C(C=C1)C2=C(SN=C2)C3=CC=C(C=C3)Cl
InChI
1S/C16H12ClNS/c1-11-2-4-12(5-3-11)15-10-18-19-16(15)13-6-8-14(17)9-7-13/h2-10H,1H3
InChIKey
LELNOQBBNOVPJP-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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