Drug Information

Drug General Information
Drug ID
D01VRB
Former ID
DNC009037
Drug Name
4,5-Bis(4-chlorophenyl)isothiazole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529881]
Formula
C15H9Cl2NS
Canonical SMILES
C1=CC(=CC=C1C2=C(SN=C2)C3=CC=C(C=C3)Cl)Cl
InChI
1S/C15H9Cl2NS/c16-12-5-1-10(2-6-12)14-9-18-19-15(14)11-3-7-13(17)8-4-11/h1-9H
InChIKey
FCOMTKBRAKMDNZ-UHFFFAOYSA-N
PubChem Compound ID
44564456
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [529881]
Prostaglandin G/H synthase 2 Target Info Inhibitor [529881]
BioCyc Pathway C20 prostanoid biosynthesisPWY66-393:Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
C20 prostanoid biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Platelet activation
Serotonergic synapsehsa00590:Arachidonic acid metabolism
NF-kappa B signaling pathway
VEGF signaling pathway
TNF signaling pathway
Retrograde endocannabinoid signaling
Serotonergic synapse
Ovarian steroidogenesis
Oxytocin signaling pathway
Regulation of lipolysis in adipocytes
Leishmaniasis
Pathways in cancer
Chemical carcinogenesis
MicroRNAs in cancer
Small cell lung cancer
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_13:IL1 Signaling Pathway
TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL5 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathwayP00019:Endothelin signaling pathway
Inflammation mediated by chemokine and cytokine signaling pathway
Toll receptor signaling pathway
CCKR signaling map ST
Pathway Interaction Database Calcineurin-regulated NFAT-dependent transcription in lymphocytes
S1P1 pathway
C-MYB transcription factor network
Signaling mediated by p38-alpha and p38-beta
Calcium signaling in the CD4+ TCR pathway
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Phase 1 - Functionalization of compounds
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP98:Prostaglandin Synthesis and Regulation
Aryl Hydrocarbon Receptor
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
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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