parecoxib

Ligand Id: 2895
Ligand name parecoxib

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 97.65
Molecular weight 370.1
XLogP 4.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: EMA (2009))
Is prodrug? Yes
Active form valdecoxib
IUPAC Name
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
International Nonproprietary Names
INN number INN
7816 parecoxib
Synonyms
Dynastat®
SC-69124
Database Links
CAS Registry No. 198470-84-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1206690
DrugBank Ligand DB08439
PubChem CID 119828
Search Google for chemical match using the InChIKey TZRHLKRLEZJVIJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone TZRHLKRLEZJVIJ
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Wikipedia Parecoxib
Comments
The brand Dynastat® contains parecoxib sodium (PubChem CID 15895902). Parecoxib is a water soluble prodrug of valdecoxib, a non‑steroidal anti‑inflammatory drug (NSAID).