Vernakalant (CED0010885)

Record Information
Version1.0
Creation Date2026-04-04 14:04:06 UTC
Update Date2026-08-20 06:43:08 UTC
Accession NumberCHEM075211
Identification
Common NameVernakalant
ClassSmall Molecule
Description
Vernakalant is an organic compound with the formula C20H31N1O4 and an average molecular weight of 349.47 g/mol. Vernakalant belongs to the tyrosols and derivatives, a subclass of phenols within the organic compounds. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as a class I and III antiarrhythmic, with intravenous administration as the recorded route of exposure. Vernakalant acts on four recorded protein targets, serving as a blocker of the sodium channel protein type 5 subunit alpha (SCN5A), the potassium voltage-gated channel subfamily A member 5 (KCNA5), the A-type voltage-gated potassium channel KCND3, and the voltage-gated inwardly rectifying potassium channel KCNH2.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H31N1O4
Average Molecular Mass349.471 g/mol
Monoisotopic Mass349.225 g/mol
CAS Registry Number794466-70-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=C(OC)C=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=C1
InChI IdentifierInChI=1S/C20H31NO4/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/t16-,17-,18-/m1/s1
InChI KeyVBHQKCBVWWUUKN-KZEPCWSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
815.0Log mg/kg[460:1400]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
285Antiarrhythmics, class i and iiiHealthcare, pharmaceuticals & veterinary productsNot Available
Pathways
1 pathway
Vernakalant Drug Metabolism Action Pathway
Vernakalant Drug Metabolism Action Pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePotassium voltage-gated channel subfamily B member 1P15387Rattus norvegicusPredicted (SEA)0.0778492
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)170.178
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)80.3404
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)171.035
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)467.329
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)264.22
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)384.731
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)319.571
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)187.072
Click to view 3D structurePotassium voltage-gated channel subfamily A member 5P22460HumansPredicted (SEA)4.20386
D(1A) dopamine receptor structureClick to view 3D structureD(1A) dopamine receptorP21728HumansPredicted (SEA)253.01
Click to view 3D structureSodium/hydrogen exchanger isoform 3Q9XSD0Sus scrofaPredicted (SEA)1.16774
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)286.407
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)264.22
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)151.339
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)538.95
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)228.955
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)178.041
Peptidyl-prolyl cis-trans isomerase FKBP5 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase FKBP5Q13451HumansPredicted (SEA)4.7488
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)296.683
Click to view 3D structureOuter-membrane lipoprotein carrier proteinP61316Escherichia coli (strain K12)Predicted (SEA)4.28171
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)416.805
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)824.501
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)217.666
Click to view 3D structureAlpha-1D adrenergic receptorP23944Rattus norvegicusPredicted (SEA)94.6646
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available