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
SMILES / InChI / InChIKey
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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
InChI Key IXTMWRCNAAVVAI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
IUPAC Name Click here for help
N-[4-[2-[2-(4-methanesulfonamidophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfonamide
International Nonproprietary Names Click here for help
INN number INN
6756 dofetilide
Synonyms Click here for help
Tikosyn® | UK-68798
Database Links Click here for help
BindingDB Ligand 50031720
CAS Registry No. 115256-11-6
ChEBI CHEBI:4681
ChEMBL Ligand CHEMBL473
DrugBank Ligand DB00204
DrugCentral Ligand 942
GtoPdb PubChem SID 135650201
PubChem CID 71329
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Wikipedia Dofetilide

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Tocris
Dofetilide
Cat. No. 3757