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
DrugBank groups approved
IUPAC Name
5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
International Nonproprietary Names
INN number INN
8082 etoricoxib
Synonyms
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
Search PubMed clinical trials etoricoxib
Search PubMed titles etoricoxib
Search PubMed titles/abstracts etoricoxib
Wikipedia Etoricoxib
ZINC ZINC00579472
Comments
There is no information regarding approval for medicinal use of atoricoxib on the US FDA website. Individual national agencies may have granted marketing approval.