ezetimibe

Ligand id: 6816

Name: ezetimibe

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 60.77
Molecular weight 409.15
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Garcia-Calvo M, Lisnock J, Bull HG, Hawes BE, Burnett DA, Braun MP, Crona JH, Davis Jr HR, Dean DC, Detmers PA et al.. (2005)
The target of ezetimibe is Niemann-Pick C1-Like 1 (NPC1L1).
Proc. Natl. Acad. Sci. U.S.A.102 (23): 8132-7. [PMID:15928087]
2. Oswald S, König J, Lütjohann D, Giessmann T, Kroemer HK, Rimmbach C, Rosskopf D, Fromm MF, Siegmund W. (2008)
Disposition of ezetimibe is influenced by polymorphisms of the hepatic uptake carrier OATP1B1.
Pharmacogenet. Genomics18 (7): 559-68. [PMID:18551036]