NAV

Reldesemtiv

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

Identification

Generic Name
Reldesemtiv
DrugBank Accession Number
DB15256
Background

Reldesemtiv is under investigation in clinical trial NCT03160898 (A Study to Evaluate Efficacy, Safety and Tolerability of CK-2127107 in Patients With Amyotrophic Lateral Sclerosis (ALS)).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 384.391
Monoisotopic: 384.15101555
Chemical Formula
C19H18F2N6O
Synonyms
  • CK-2127107
  • CK2127107
  • Reldesemtiv
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
4S0HBYW6QE
CAS number
1345410-31-2
InChI Key
MQXWPWOCXGARRK-HJGJAMNPSA-N
InChI
InChI=1S/C19H18F2N6O/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26)/t13-,19-
IUPAC Name
1-[2-({[(1r,3r)-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methyl}amino)pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
SMILES
NC(=O)C1=CN(C=C1)C1=CN=C(NC[C@@]2(C[C@H](F)C2)C2=NC=CC=C2F)N=C1

References

General References
Not Available
ChemSpider
75531291
ChEMBL
CHEMBL4297600

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentAmyotrophic Lateral Sclerosis (ALS)2
2CompletedTreatmentAmyotrophic Lateral Sclerosis (ALS)1
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD)1
2CompletedTreatmentSpinal Muscular Atrophy (SMA)1
1TerminatedTreatmentPhysical Impairment1

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 Solubility0.054 mg/mLALOGPS
logP1.96ALOGPS
logP1.57Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.19Chemaxon
pKa (Strongest Basic)3.28Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area98.72 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity110.39 m3·mol-1Chemaxon
Polarizability38.18 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-0009000000-86f49140fdd0e1680cf8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-2009000000-0ee20584b8e24b99f865
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-3bba20ffad44134a3ae5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-7009000000-b009a6d05d8c230303da
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1945000000-97e4ab992e2518c7dc70
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-1419000000-476debc1e9db5270cf5d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:05 / Updated at July 18, 2023 22:57