NAV

PXT 3003

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

Identification

Generic Name
PXT 3003
DrugBank Accession Number
DB16745
Background

PXT 3003 is in phase 3 clinical trials for the treatment of Charcot-Marie-Tooth disease type 1A in adults.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 353.466
Monoisotopic: 353.210327121
Chemical Formula
C21H27N3O2
Synonyms
Not Available
External IDs
  • PXT 3003
  • PXT-3003
  • PXT3003
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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
Not Available
CAS number
1467047-91-1
InChI Key
WRUIDZKNUAHKTR-UHFFFAOYSA-N
InChI
InChI=1S/C21H27N3O2/c1-2-26-21(25)17-13-19(22-14-16-9-5-3-6-10-16)20(23-15-17)24-18-11-7-4-8-12-18/h3,5-6,9-10,13,15,18,22H,2,4,7-8,11-12,14H2,1H3,(H,23,24)
IUPAC Name
ethyl 5-(benzylamino)-6-(cyclohexylamino)pyridine-3-carboxylate
SMILES
CCOC(=O)C1=CC(NCC2=CC=CC=C2)=C(NC2CCCCC2)N=C1

References

General References
Not Available
ChemSpider
64885094

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentCharcot-Marie-Tooth Disease, Type Ia (Disorder)1
3Active Not RecruitingTreatmentHereditary Motor and Sensory Neuropathies1
3CompletedTreatmentCharcot-Marie-Tooth Disease, Type Ia (Disorder)1
3RecruitingTreatmentCharcot-Marie-Tooth Disease, Type Ia (Disorder)1
2CompletedTreatmentHereditary disorder / Hereditary Motor and Sensory Neuropathies / Hereditary Neuropathy With Liability to Pressure Palsies1

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 Solubility0.0115 mg/mLALOGPS
logP4.74ALOGPS
logP4.18Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)18.99Chemaxon
pKa (Strongest Basic)4.77Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area63.25 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity107 m3·mol-1Chemaxon
Polarizability40.31 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-0pb9-0019000000-55acc89a042f733e213f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-046e85dc3af89f12e977
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-2019000000-715bd2e60420bba5ad19
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pe9-0393000000-3ce1e576b0109b0b2592
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-9245000000-5d2405a030d9f231e464
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00fr-0391000000-7b1b23854fe0bf98d1cd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 02, 2021 22:42 / Updated at December 03, 2021 07:35