Drug Information

Drug General Information
Drug ID
D0JQ1T
Former ID
DNC012488
Drug Name
2-[4-(1H-Indol-5-yl)-phenyl]-propionic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525446]
Structure
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2D MOL

3D MOL
Formula
C17H15NO2
Canonical SMILES
CC(C1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3)C(=O)O
InChI
1S/C17H15NO2/c1-11(17(19)20)12-2-4-13(5-3-12)14-6-7-16-15(10-14)8-9-18-16/h2-11,18H,1H3,(H,19,20)
InChIKey
NSKFZVRZALCZND-UHFFFAOYSA-N
PubChem Compound ID
44336354
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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