ENCAINIDE

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Synonyms
Status
Molecule Category Free-form
ATC C01BC08
UNII SY3J0147NB
EPA CompTox DTXSID0022983

Structure

InChI Key PJWPNDMDCLXCOM-UHFFFAOYSA-N
Smiles COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1
InChI
InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28N2O2
Molecular Weight 352.48
AlogP 4.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 41.57
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 55
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 22
Rattus norvegicus
- - - - 55

Cross References

Resources Reference
ChEBI 4788
ChEMBL CHEMBL315838
DrugBank DB01228
DrugCentral 1007
FDA SRS SY3J0147NB
Human Metabolome Database HMDB0015359
KEGG C06978
PubChem 48041
SureChEMBL SCHEMBL94346
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