Lanabecestat
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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
- Weight
- Average: 412.537
Monoisotopic: 412.226311538 - Chemical Formula
- C26H28N4O
- Synonyms
- Lanabecestat
- External IDs
- LY3314814
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 58177815
- BindingDB
- 136735
- ChEMBL
- CHEMBL3989948
- Wikipedia
- Lanabecestat
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Alzheimer's Disease (AD) 2 2, 3 Terminated Treatment Alzheimer's Disease (AD) 1 1 Completed Basic Science Healthy Volunteers (HV) 5 1 Completed Other Healthy Volunteers (HV) 1 1 Withdrawn Basic Science Healthy 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
Property Value Source Water Solubility 0.0026 mg/mL ALOGPS logP 4.46 ALOGPS logP 4.67 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 4.67 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.86 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 120.18 m3·mol-1 Chemaxon Polarizability 48.22 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0003900000-2a67c51bb002b539ac9e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0000900000-99330e69afb366a034f6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03e9-0009600000-961513d52968630c3079 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0006900000-38e7c0fabf9ab65b93f3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-02mj-0019000000-b920be2f8c4491d2ea74 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05n0-2189100000-30d47b6caa5247131412 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:28 / Updated at February 21, 2021 18:54