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

1. Beswick P, Bingham S, Bountra C, Brown T, Browning K, Campbell I, Chessell I, Clayton N, Collins S, Corfield J et al.. (2004)
Identification of 2,3-diaryl-pyrazolo[1,5-b]pyridazines as potent and selective cyclooxygenase-2 inhibitors.
Bioorg. Med. Chem. Lett., 14 (21): 5445-8. [PMID:15454242]
2. Boswell DJ, Ostergaard K, Philipson RS, Hodge RA, Blum D, Brown JC, Quessy SN. (2008)
Evaluation of GW406381 for treatment of osteoarthritis of the knee: two randomized, controlled studies.
Medscape J Med, 10 (11): 259. [PMID:19099009]
3. Varner J, Lomax M, Blum D, Quessy S. (2009)
A randomized, controlled, dose-ranging study investigating single doses of GW406381, naproxen sodium, or placebo in patients with acute pain after third molar tooth extraction.
Clin J Pain, 25 (7): 577-83. [PMID:19692798]