etoricoxib

Ligand Id: 2896
Ligand name etoricoxib

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.3
Molecular weight 358.05
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
International Nonproprietary Names
INN number INN
8082 etoricoxib
Synonyms
Arcoxia®
MK 0663
MK-0663
Database Links
CAS Registry No. 202409-33-4 (source: Scifinder)
ChEBI CHEBI:6339
ChEMBL Ligand CHEMBL416146
DrugBank Ligand DB01628
PubChem CID 123619
RCSB PDB Ligand 5CH
Search Google for chemical match using the InChIKey MNJVRJDLRVPLFE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MNJVRJDLRVPLFE
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Wikipedia Etoricoxib