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
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Kv11.1 Primary target of this compound Hs Channel blocker Inhibition 8.2 pKi - 2
pKi 8.2 (Ki 6.4x10-9 M) [2]
Kv10.1 Hs Channel blocker - 7.5 pIC50 - 1
pIC50 7.5 [1]