ivacaftor

Ligand id: 4342

Name: ivacaftor

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 78.43
Molecular weight 392.21
XLogP 6.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Eckford PD, Li C, Ramjeesingh M, Bear CE. (2012)
Cystic fibrosis transmembrane conductance regulator (CFTR) potentiator VX-770 (ivacaftor) opens the defective channel gate of mutant CFTR in a phosphorylation-dependent but ATP-independent manner.
J. Biol. Chem.287 (44): 36639-49. [PMID:22942289]
2. Van Goor F, Hadida S, Grootenhuis PD, Burton B, Cao D, Neuberger T, Turnbull A, Singh A, Joubran J, Hazlewood A et al.. (2009)
Rescue of CF airway epithelial cell function in vitro by a CFTR potentiator, VX-770.
Proc. Natl. Acad. Sci. U.S.A.106 (44): 18825-30. [PMID:19846789]