GW406381

Ligand id: 9850

Name: GW406381

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 81.94
Molecular weight 393.11
XLogP 4.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
IUPAC Name
2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[5,1-f]pyridazine
Synonyms
compound 8 [PMID: 15454242] | GW-406381
Comments
GW406381 is a cyclooxygenase inhibitor that is selective for the COX2 isozyme, that has clinical potential for the treatment of inflammatory pain [1].
Database Links
BindingDB Ligand 50153982
ChEMBL Ligand CHEMBL364804
GtoPdb PubChem SID 363894144
PubChem CID 9832687
Search Google for chemical match using the InChIKey NXMZBNYLCVTRGB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NXMZBNYLCVTRGB
Search UniChem for chemical match using the InChIKey NXMZBNYLCVTRGB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NXMZBNYLCVTRGB