flurbiprofen

Ligand id: 4194

Name: flurbiprofen

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 244.09
XLogP 5.51
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Bayly CI, Black WC, L├ęger S, Ouimet N, Ouellet M, Percival MD. (1999)
Structure-based design of COX-2 selectivity into flurbiprofen.
Bioorg. Med. Chem. Lett.9 (3): 307-12. [PMID:10091674]
2. Voilley N, de Weille J, Mamet J, Lazdunski M. (2001)
Nonsteroid anti-inflammatory drugs inhibit both the activity and the inflammation-induced expression of acid-sensing ion channels in nociceptors.
J. Neurosci.21 (20): 8026-33. [PMID:11588175]
3. Warner TD, Giuliano F, Vojnovic I, Bukasa A, Mitchell JA, Vane JR. (1999)
Nonsteroid drug selectivities for cyclo-oxygenase-1 rather than cyclo-oxygenase-2 are associated with human gastrointestinal toxicity: a full in vitro analysis.
Proc. Natl. Acad. Sci. U.S.A.96 (13): 7563-8. [PMID:10377455]