dofetilide

Ligand id: 2604

Name: dofetilide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 121.57
Molecular weight 441.14
XLogP 2.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Gómez-Varela D, Contreras-Jurado C, Furini S, García-Ferreiro R, Stühmer W, Pardo LA. (2006)
Different relevance of inactivation and F468 residue in the mechanisms of hEag1 channel blockage by astemizole, imipramine and dofetilide.
FEBS Lett.580 (21): 5059-66. [PMID:16949586]
2. Singleton DH, Boyd H, Steidl-Nichols JV, Deacon M, Groot MJ, Price D, Nettleton DO, Wallace NK, Troutman MD, Williams C et al.. (2007)
Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.
J. Med. Chem.50 (13): 2931-41. [PMID:17536794]