Drug Information

Drug General Information
Drug ID
D02HSZ
Former ID
DNC014201
Drug Name
IODOINDOMETHACIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530753]
Structure
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2D MOL

3D MOL
Formula
C19H16INO4
Canonical SMILES
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)I)C=CC(=C2)OC)CC(=O)O
InChI
1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKey
CXBFZYKAVCAPSV-UHFFFAOYSA-N
PubChem Compound ID
447835
Target and Pathway
Target(s) Prostaglandin G/H synthase 1 Target Info Inhibitor [530753]
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 530753Bioorg Med Chem. 2010 Mar 15;18(6):2204-18. Epub 2010 Feb 8.In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.
Ref 530753Bioorg Med Chem. 2010 Mar 15;18(6):2204-18. Epub 2010 Feb 8.In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.

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