Drug Information

Drug General Information
Drug ID
D02GZX
Former ID
DNC012493
Drug Name
2-(3'-Ethylsulfanyl-biphenyl-4-yl)-propionic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525446]
Structure
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2D MOL

3D MOL
Formula
C17H18O2S
Canonical SMILES
CCSC1=CC=CC(=C1)C2=CC=C(C=C2)C(C)C(=O)O
InChI
1S/C17H18O2S/c1-3-20-16-6-4-5-15(11-16)14-9-7-13(8-10-14)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
InChIKey
QGKUCOODYMVNGO-UHFFFAOYSA-N
PubChem Compound ID
9817355
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [525446]
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 525446Bioorg Med Chem Lett. 1999 Feb 8;9(3):307-12.Structure-based design of COX-2 selectivity into flurbiprofen.
Ref 525446Bioorg Med Chem Lett. 1999 Feb 8;9(3):307-12.Structure-based design of COX-2 selectivity into flurbiprofen.

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