NAV

Edasalonexent

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

Identification

Generic Name
Edasalonexent
DrugBank Accession Number
DB15010
Background

Edasalonexent is under investigation in clinical trial NCT01511900 (A Multiple Ascending Dose Study of CAT-1004 in Patients With Type 2 Diabetes).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 490.688
Monoisotopic: 490.31954322
Chemical Formula
C31H42N2O3
Synonyms
  • Edasalonexent
External IDs
  • CAT 1004
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
AF3Z6434KS
CAS number
1204317-86-1
InChI Key
JQLBBYLGWHUHRW-KUBAVDMBSA-N
InChI
InChI=1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
IUPAC Name
(4Z,7Z,10Z,13Z,16Z,19Z)-N-{2-[(2-hydroxyphenyl)formamido]ethyl}docosa-4,7,10,13,16,19-hexaenamide
SMILES
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCNC(=O)C1=C(O)C=CC=C1

References

General References
Not Available
ChemSpider
52083214
ChEMBL
CHEMBL3786673
ZINC
ZINC000117210587

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentDuchenne Muscular Dystrophy (DMD)1
3TerminatedTreatmentDuchenne Muscular Dystrophy (DMD)1
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedNot AvailableType 2 Diabetes Mellitus1
1CompletedBasic ScienceAssessment of Mechanistic Blood Biomarkers in Healthy Humans1

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 Solubility0.000243 mg/mLALOGPS
logP6.74ALOGPS
logP7.39Chemaxon
logS-6.3ALOGPS
pKa (Strongest Acidic)8.19Chemaxon
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.43 Å2Chemaxon
Rotatable Bond Count18Chemaxon
Refractivity158.15 m3·mol-1Chemaxon
Polarizability56.54 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0fl3-1907600000-0f53a7cf21d5a09e146a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0201900000-f75c951d5b49204683c8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dj-2916600000-45f3aae97f605411f2b4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-007o-9806400000-9270fd1e0d705b625c50
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-8229600000-f59343ef04b7ae8ae08d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ka-4928300000-98327ddd168eaf09b80d
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 14:42 / Updated at February 21, 2021 18:55