Drug Information

Drug General Information
Drug ID
D0M9RL
Former ID
DNC012498
Drug Name
2-(3'-Allyl-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
C18H18O2
Canonical SMILES
CC(C1=CC=C(C=C1)C2=CC(=CC=C2)CC=C)C(=O)O
InChI
1S/C18H18O2/c1-3-5-14-6-4-7-17(12-14)16-10-8-15(9-11-16)13(2)18(19)20/h3-4,6-13H,1,5H2,2H3,(H,19,20)
InChIKey
NOUUHOHFFJKTMS-UHFFFAOYSA-N
PubChem Compound ID
44336367
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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