polmacoxib

Ligand id: 8316

Name: polmacoxib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 94.84
Molecular weight 361.08
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfonamide
International Nonproprietary Names
INN number INN
9898 polmacoxib
Synonyms
Acelex® (S. Korea) | CG-100649 | CG100649
Database Links
CAS Registry No. 301692-76-2
ChEMBL Ligand CHEMBL166863
PubChem CID 9841854
RCSB PDB Ligand 949
Search Google for chemical match using the InChIKey IJWPAFMIFNSIGD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IJWPAFMIFNSIGD
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Search UniChem for chemical match using the InChIKey IJWPAFMIFNSIGD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IJWPAFMIFNSIGD
Wikipedia Polmacoxib
Comments
Polmacoxib is a first-in-class dual COX2/carbonic anhydrase I/II inhibitor, a potential non-steroidal anti-inflammatory drug (NSAID) with postulated attenuated cardiovascular risk compared to selective COX2 inhibiting NSAIDs [1].