Edonerpic

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

Identification

Generic Name
Edonerpic
DrugBank Accession Number
DB05938
Background

Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 291.41
Monoisotopic: 291.129300094
Chemical Formula
C16H21NO2S
Synonyms
  • Edonerpic
External IDs
  • J2.972.359A
  • T-817

Pharmacology

Indication

Investigated for use/treatment in alzheimer's disease.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

T-817MA has neuroprotective properties. Toyama Chemical has demonstrated that T-817MA prevents neurodegeneration induced by Amyloid-b protein. Accumulation of Amyloid-b protein is considered to be central to the pathogenesis of Alzheimer's disease. The neuroprotective properties of T-817MA were also observed in a mutant tau induced Alzheimer's disease model. Besides these neuroprotective properties, T-817MA also promotes neurite outgrowth.

TargetActionsOrganism
UAmyloid beta A4 proteinNot AvailableHumans
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
Edonerpic maleate0LB9F7I5P3519187-97-4RLUCYBFCLXANSO-BTJKTKAUSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiophenes
Sub Class
1-benzothiophenes
Direct Parent
1-benzothiophenes
Alternative Parents
Benzenoids / Thiophenes / Heteroaromatic compounds / Trialkylamines / Secondary alcohols / Azetidines / 1,2-aminoalcohols / Dialkyl ethers / Azacyclic compounds / Hydrocarbon derivatives
Substituents
1,2-aminoalcohol / 1-benzothiophene / Alcohol / Amine / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Benzenoid / Dialkyl ether / Ether
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QY49O94S2W
CAS number
519187-23-6
InChI Key
HQNACSFBDBYLJP-UHFFFAOYSA-N
InChI
InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2
IUPAC Name
1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-ol
SMILES
OC1CN(CCCOCCC2=CC3=C(SC=C3)C=C2)C1

References

General References
  1. Hirata K, Yamaguchi H, Takamura Y, Takagi A, Fukushima T, Iwakami N, Saitoh A, Nakagawa M, Yamada T: A novel neurotrophic agent, T-817MA [1-{3-[2-(1-benzothiophen-5-yl) ethoxy] propyl}-3-azetidinol maleate], attenuates amyloid-beta-induced neurotoxicity and promotes neurite outgrowth in rat cultured central nervous system neurons. J Pharmacol Exp Ther. 2005 Jul;314(1):252-9. Epub 2005 Mar 29. [Article]
  2. Yamashita D, Shiotani A, Kanzaki S, Nakagawa M, Ogawa K: Neuroprotective effects of T-817MA against noise-induced hearing loss. Neurosci Res. 2008 May;61(1):38-42. doi: 10.1016/j.neures.2008.01.009. Epub 2008 Jan 29. [Article]
  3. Seo T, Sumiyoshi T, Tsunoda M, Tanaka K, Uehara T, Matsuoka T, Itoh H, Kurachi M: T-817MA, a novel neurotrophic compound, ameliorates phencyclidine-induced disruption of sensorimotor gating. Psychopharmacology (Berl). 2008 Apr;197(3):457-64. doi: 10.1007/s00213-007-1057-8. Epub 2008 Feb 5. [Article]
ChemSpider
8077600

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentMild Cognitive Impairment (MCI)1
1CompletedBasic ScienceHealthy Volunteers (HV) / Hepatic Impairment1

Pharmacoeconomics

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

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0404 mg/mLALOGPS
logP2.82ALOGPS
logP2.29Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)14.79Chemaxon
pKa (Strongest Basic)7.24Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area32.7 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity82.6 m3·mol-1Chemaxon
Polarizability33.5 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-0006-0090000000-a3804cd813ce7aa3dcee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udl-9070000000-872326beb242e6abc8fa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0960000000-8a8a810ba2628c7c1fc1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-7290000000-97938970697d36d857f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-0900000000-77c0cb07a0c5ed7d8850
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-6900000000-9514c23e2dea4857f762
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Transition metal ion binding
Specific Function
Functions as a cell surface receptor and performs physiological functions on the surface of neurons relevant to neurite growth, neuronal adhesion and axonogenesis. Involved in cell mobility and tra...
Gene Name
APP
Uniprot ID
P05067
Uniprot Name
Amyloid beta A4 protein
Molecular Weight
86942.715 Da

Drug created at November 18, 2007 18:28 / Updated at February 21, 2021 18:51