nifekalant 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
potassium channel blockers 1923 130636-43-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • nifekalant
  • Molecular weight: 405.46
  • Formula: C19H27N5O5
  • CLOGP: 2.05
  • LIPINSKI: 0
  • HAC: 10
  • HDO: 2
  • TPSA: 121.94
  • ALOGS: -3.38
  • ROTB: 11

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 1.96 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 20.89 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.09 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.52 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KIT,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 56
kinase-selectivity-class AXL,BRAF,CAMK2D,CDK9,DDR1,GRK2,MAPK12,MAPK7,MARK4,MET,PRKDC,SIK2,STK33,TEK,TTK 15
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000889 Anti-Arrhythmia Agents
MeSH PA D002317 Cardiovascular Agents
CHEBI has role CHEBI:38070 anti-arrhythmia drug

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.02 Basic
pKa2 2.89 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Potassium voltage-gated channel subfamily H member 2 Ion channel IC50 5 CHEMBL
Solute carrier family 22 member 2 Transporter IC50 4.99 CHEMBL
Multidrug and toxin extrusion protein 1 Transporter IC50 6.19 CHEMBL
Multidrug and toxin extrusion protein 2 Transporter IC50 5.57 CHEMBL

External reference:

IDSource
C2350374 UMLSCUI
CHEBI:94575 CHEBI
CHEMBL360861 ChEMBL_ID
DB16008 DRUGBANK_ID
C076259 MESH_SUPPLEMENTAL_RECORD_UI
4486 PUBCHEM_CID
7478 INN_ID
5VZ7GZM43E UNII
5VZ7GZM43E INXIGHT DRUGS

Pharmaceutical products:

None