NAV

Lanabecestat

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

Identification

Generic Name
Lanabecestat
DrugBank Accession Number
DB14814
Background

Lanabecestat is under investigation in clinical trial NCT03499041 (A Study of LY3314814 in Participants With Liver Impairment).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 412.537
Monoisotopic: 412.226311538
Chemical Formula
C26H28N4O
Synonyms
  • Lanabecestat
External IDs
  • LY3314814
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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
X8SPJ492VF
CAS number
1383982-64-6
InChI Key
WKDNQONLGXOZRG-HRNNMHKYSA-N
InChI
InChI=1S/C26H28N4O/c1-4-5-18-12-21(16-28-15-18)19-6-7-20-14-25(10-8-22(31-3)9-11-25)26(23(20)13-19)29-17(2)24(27)30-26/h6-7,12-13,15-16,22H,8-11,14H2,1-3H3,(H2,27,30)/t22-,25-,26-/m0/s1
IUPAC Name
(1r,1'R,4R)-4-methoxy-5''-methyl-6'-[5-(prop-1-yn-1-yl)pyridin-3-yl]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine
SMILES
CO[C@H]1CC[C@@]2(CC3=CC=C(C=C3[C@@]22N=C(C)C(N)=N2)C2=CC(=CN=C2)C#CC)CC1

References

General References
Not Available
ChemSpider
58177815
BindingDB
136735
ChEMBL
CHEMBL3989948
Wikipedia
Lanabecestat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentAlzheimer's Disease (AD)2
2, 3TerminatedTreatmentAlzheimer's Disease (AD)1
1CompletedBasic ScienceHealthy Volunteers (HV)5
1CompletedOtherHealthy Volunteers (HV)1
1WithdrawnBasic ScienceHealthy Volunteers (HV)1

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 Solubility0.0026 mg/mLALOGPS
logP4.46ALOGPS
logP4.67Chemaxon
logS-5.2ALOGPS
pKa (Strongest Basic)4.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area72.86 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity120.18 m3·mol-1Chemaxon
Polarizability48.22 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-03di-0003900000-2a67c51bb002b539ac9e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-99330e69afb366a034f6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03e9-0009600000-961513d52968630c3079
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0006900000-38e7c0fabf9ab65b93f3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-02mj-0019000000-b920be2f8c4491d2ea74
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05n0-2189100000-30d47b6caa5247131412
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 14:28 / Updated at February 21, 2021 18:54