Ligand id: 7481

Name: lumacaftor

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 97.75
Molecular weight 452.12
XLogP 5.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Okiyoneda T, Veit G, Dekkers JF, Bagdany M, Soya N, Xu H, Roldan A, Verkman AS, Kurth M, Simon A et al.. (2013)
Mechanism-based corrector combination restores ΔF508-CFTR folding and function.
Nat. Chem. Biol., 9 (7): 444-54. [PMID:23666117]
2. Ren HY, Grove DE, De La Rosa O, Houck SA, Sopha P, Van Goor F, Hoffman BJ, Cyr DM. (2013)
VX-809 corrects folding defects in cystic fibrosis transmembrane conductance regulator protein through action on membrane-spanning domain 1.
Mol. Biol. Cell, 24 (19): 3016-24. [PMID:23924900]