IBUTILIDE

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Synonyms
Status
Molecule Category Free-form
ATC C01BD05
UNII 2436VX1U9B

Structure

InChI Key ALOBUEHUHMBRLE-UHFFFAOYSA-N
Smiles CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
InChI
InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H36N2O3S
Molecular Weight 384.59
AlogP 4.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 69.64
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10-20 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10-15.14 - - -

Cross References

Resources Reference
ChEBI 5856
ChEMBL CHEMBL533
DrugBank DB00308
DrugCentral 1412
FDA SRS 2436VX1U9B
Human Metabolome Database HMDB0014453
Guide to Pharmacology 7200
KEGG C07753
PharmGKB PA449958
PubChem 60753
SureChEMBL SCHEMBL3719856
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