NAV

Nifekalant

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Nifekalant
DrugBank Accession Number
DB16008
Background

Nifekalant is under investigation in clinical trial NCT03855826 (Evaluation of the Efficacy and Safety of Nifekalant Hydrochloride (NIF) Injection).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 405.455
Monoisotopic: 405.201218989
Chemical Formula
C19H27N5O5
Synonyms
  • 6-((2-((2-Hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyluracil
  • Nifekalant
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Nifekalant hydrochlorideTPP5R0MDQS130656-51-8YPVGGQKNWAKOPX-UHFFFAOYSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
5VZ7GZM43E
CAS number
130636-43-0
InChI Key
OEBPANQZQGQPHF-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3
IUPAC Name
6-({2-[(2-hydroxyethyl)[3-(4-nitrophenyl)propyl]amino]ethyl}amino)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILES
CN1C(=O)C=C(NCCN(CCO)CCCC2=CC=C(C=C2)[N+]([O-])=O)N(C)C1=O

References

General References
Not Available
ChemSpider
4331
BindingDB
50151866
ChEBI
94575
ChEMBL
CHEMBL360861
ZINC
ZINC000000538083
Wikipedia
Nifekalant

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusTreatmentAtrial Fibrillation1
4Unknown StatusTreatmentVentricular Fibrillation / Ventricular Tachycardia (VT)1
3RecruitingTreatmentComplications; Cardiac, Postoperative / New-onset Atrial Fibrillation (NOAF)1
Not AvailableUnknown StatusNot AvailableVentricular Fibrillation / Ventricular Tachycardia (VT)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.169 mg/mLALOGPS
logP1.68ALOGPS
logP1.25Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)15.59Chemaxon
pKa (Strongest Basic)8.81Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area119.26 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity118.07 m3·mol-1Chemaxon
Polarizability43.3 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-216.8980141
predicted
DarkChem Lite v0.1.0
[M+H]+216.6609141
predicted
DarkChem Lite v0.1.0

Drug created at December 10, 2020 22:59 / Updated at February 21, 2021 18:55