celecoxib

Ligand Id: 2892
Ligand name celecoxib

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 86.36
Molecular weight 381.08
XLogP 5.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1998))
IUPAC Name
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
International Nonproprietary Names
INN number INN
7767 celecoxib
Synonyms
Celecox®
Onsenal®
Database Links
CAS Registry No. 169590-42-5 (source: Scifinder)
ChEBI CHEBI:41423
ChEMBL Ligand CHEMBL118
DrugBank Ligand DB00482
Human Metabolome Database HMDB05014
PubChem CID 2662
RCSB PDB Ligand CEL
Search Google for chemical match using the InChIKey RZEKVGVHFLEQIL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZEKVGVHFLEQIL
Search PubMed clinical trials celecoxib
Search PubMed titles celecoxib
Search PubMed titles/abstracts celecoxib
Wikipedia Celecoxib
Comments
Celecoxib is a non-steroidal anti-inflammatory drug (NSAID).