Drug Information

Drug General Information
Drug ID
D07AFA
Former ID
DNC014441
Drug Name
1-(4-(methylsulfonyl)phenyl)-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531135]
Structure
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2D MOL

3D MOL
Formula
C15H13NO2S
Canonical SMILES
CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CC=CC=C32
InChI
1S/C15H13NO2S/c1-19(17,18)14-8-6-13(7-9-14)16-11-10-12-4-2-3-5-15(12)16/h2-11H,1H3
InChIKey
XRGCFRFZQVGLLT-UHFFFAOYSA-N
PubChem Compound ID
11958319
Target and Pathway
Target(s) Prostaglandin G/H synthase 2 Target Info Inhibitor [531135]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
C20 prostanoid biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
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 IL1 Signaling Pathway
TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL5 Signaling Pathway
PANTHER Pathway 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 Metabolism
WikiPathways Prostaglandin Synthesis and Regulation
Arachidonic acid metabolism
Aryl Hydrocarbon Receptor
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Eicosanoid Synthesis
Selenium Micronutrient Network
References
Ref 531135J Med Chem. 2010 Sep 23;53(18):6560-71.Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones.
Ref 531135J Med Chem. 2010 Sep 23;53(18):6560-71.Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones.

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