dofetilide   Click here for help

GtoPdb Ligand ID: 2604

Synonyms: Tikosyn® | UK-68798
Approved drug
dofetilide is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Dofetilide blocks potassium voltage-gated channels (HERGs).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 121.57
Molecular weight 441.14
XLogP 2.14
No. Lipinski's rules broken 1
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Canonical SMILES CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C
Isomeric SMILES CN(CCc1ccc(cc1)NS(=O)(=O)C)CCOc1ccc(cc1)NS(=O)(=O)C
InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
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]