Drug Information

Drug General Information
Drug ID
D09HWQ
Former ID
DNC012894
Drug Name
3-(4-Methanesulfonyl-phenyl)-1-phenyl-propynone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527727]
Formula
C16H12O3S
Canonical SMILES
CS(=O)(=O)C1=CC=C(C=C1)C#CC(=O)C2=CC=CC=C2
InChI
1S/C16H12O3S/c1-20(18,19)15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-8,10-11H,1H3
InChIKey
OIHHELVXIPDXIK-UHFFFAOYSA-N
PubChem Compound ID
11231439
Target and Pathway
Target(s) Prostaglandin G/H synthase 2 Target Info Inhibitor [527727]
Prostaglandin G/H synthase 1 Target Info Inhibitor [527727]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
C20 prostanoid biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-374:C20 prostanoid 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 cancerhsa00590:Arachidonic acid metabolism
Platelet activation
NetPath Pathway IL1 Signaling Pathway
TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL5 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Endothelin signaling pathway
Inflammation mediated by chemokine and cytokine signaling pathway
Toll receptor signaling pathway
CCKR signaling map STP00031:Inflammation mediated by chemokine and cytokine signaling pathway
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
Aryl Hydrocarbon Receptor
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Integrated Pancreatic Cancer Pathway
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP98:Prostaglandin Synthesis and Regulation
Phase 1 - Functionalization of compounds
Selenium Micronutrient Network
References
Ref 527727Bioorg Med Chem Lett. 2005 Nov 1;15(21):4842-5.Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases.
Ref 527727Bioorg Med Chem Lett. 2005 Nov 1;15(21):4842-5.Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases.

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