VERNAKALANT HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 7G4J1ZD9UQ
Parent Compound: VERNAKALANT

Structure

InChI Key JMHYCBFEEFHTMK-IIUXMCBISA-N
Smiles COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl
InChI
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32ClNO4
Molecular Weight 385.93
AlogP 2.64
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 51.16
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
HERG blocker BLOCKER EMA FDA PubMed PubMed

Target Conservation

Protein: Voltage-gated potassium channel subunit Kv1.5
Description: Potassium voltage-gated channel subfamily A member 5
Organism : Homo sapiens
P22460 ENSG00000130037
Protein: Kir3.1/Kir3.4
Description: G protein-activated inward rectifier potassium channel 4
Organism : Homo sapiens
P48544 ENSG00000120457
Protein: Kir3.1/Kir3.4
Description: G protein-activated inward rectifier potassium channel 1
Organism : Homo sapiens
P48549 ENSG00000162989
Protein: HERG
Description: Potassium voltage-gated channel subfamily H member 2
Organism : Homo sapiens
Q12809 ENSG00000055118
Protein: Sodium channel protein type V alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Voltage-gated potassium channel subunit Kv4.3
Description: Potassium voltage-gated channel subfamily D member 3
Organism : Homo sapiens
Q9UK17 ENSG00000171385

Cross References

Resources Reference
ChEMBL CHEMBL2107383
FDA SRS 7G4J1ZD9UQ
PubChem 9930048
SureChEMBL SCHEMBL439679
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