NAV

Latrepirdine

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

Identification

Generic Name
Latrepirdine
DrugBank Accession Number
DB11725
Background

Latrepirdine has been investigated for the treatment of Alzheimer's Disease and Huntington's Disease.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 319.452
Monoisotopic: 319.204847817
Chemical Formula
C21H25N3
Synonyms
  • Dimebon
  • Latrepirdine
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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
PathwayCategory
Latrepirdine H1-Antihistamine ActionDrug action
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
N-alkylindoles
Direct Parent
N-alkylindoles
Alternative Parents
3-alkylindoles / Methylpyridines / Aralkylamines / Substituted pyrroles / Benzenoids / Heteroaromatic compounds / Trialkylamines / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
3-alkylindole / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Heteroaromatic compound / Hydrocarbon derivative / Indole / Methylpyridine
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
OD9237K1Z6
CAS number
3613-73-8
InChI Key
JNODQFNWMXFMEV-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3
IUPAC Name
5-(2-{2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}ethyl)-2-methylpyridine
SMILES
CN1CCC2=C(C1)C1=CC(C)=CC=C1N2CCC1=CC=C(C)N=C1

References

General References
Not Available
Human Metabolome Database
HMDB0240240
PubChem Compound
197033
PubChem Substance
347828086
ChemSpider
170644
BindingDB
50305261
ChEBI
92976
ChEMBL
CHEMBL589390
ZINC
ZINC000008144259
Wikipedia
Latrepirdine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAlzheimer's Disease (AD)3
3CompletedTreatmentHuntington's Disease (HD)1
3TerminatedTreatmentAlzheimer's Disease (AD)4
3TerminatedTreatmentHuntington's Disease (HD)1
3TerminatedTreatmentModerate to Severe Alzheimer's Disease1

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 Solubility0.0171 mg/mLALOGPS
logP3.52ALOGPS
logP3.41Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)7.17Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area21.06 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity100.72 m3·mol-1Chemaxon
Polarizability38.6 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-00di-0009000000-6abd3c9581026f1f8e8b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-ef006f85e14e902076dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-4429000000-ed0b1709c6d51b8b14d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0829000000-353f3c5bd127054c1046
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ej-0920000000-ebcaa4093a7a7d6810b3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0v4u-3491000000-fd4d36df4910bce176f7
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]-190.3877118
predicted
DarkChem Lite v0.1.0
[M-H]-191.3712118
predicted
DarkChem Lite v0.1.0
[M-H]-174.99055
predicted
DeepCCS 1.0 (2019)
[M+H]+190.6768118
predicted
DarkChem Lite v0.1.0
[M+H]+191.5644118
predicted
DarkChem Lite v0.1.0
[M+H]+177.34856
predicted
DeepCCS 1.0 (2019)
[M+Na]+190.6158118
predicted
DarkChem Lite v0.1.0
[M+Na]+190.9224118
predicted
DarkChem Lite v0.1.0
[M+Na]+183.77773
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:42 / Updated at February 21, 2021 18:53