Lunasine
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Lunasine
- DrugBank Accession Number
- DB16223
- Background
Lunasine is under investigation in clinical trial NCT02709330 (ALS Reversals - Lunasin Regimen).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 288.366
Monoisotopic: 288.159419993 - Chemical Formula
- C17H22NO3
- Synonyms
- (-)-lunasine
- Lunasin
- Lunasine, (-)-
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
- 80R70AS7M1
- CAS number
- 6901-22-0
- InChI Key
- GUIBZZYABLMRRD-CQSZACIVSA-N
- InChI
- InChI=1S/C17H22NO3/c1-10(2)14-9-12-16(20-5)11-7-6-8-13(19-4)15(11)18(3)17(12)21-14/h6-8,10,14H,9H2,1-5H3/q+1/t14-/m1/s1
- IUPAC Name
- (2R)-4,8-dimethoxy-9-methyl-2-(propan-2-yl)-2H,3H-furo[2,3-b]quinolin-9-ium
- SMILES
- COC1=CC=CC2=C1[N+](C)=C1O[C@H](CC1=C2OC)C(C)C
References
- General References
- Not Available
- External Links
- ChemSpider
- 16735880
- ZINC
- ZINC000001596423
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Amyotrophic Lateral Sclerosis (ALS) 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 0.000151 mg/mL ALOGPS logP -0.02 ALOGPS logP -1.2 Chemaxon logS -6.3 ALOGPS pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 31.57 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.75 m3·mol-1 Chemaxon Polarizability 32.08 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.8718155 predictedDarkChem Lite v0.1.0 [M+H]+ 180.9148155 predictedDarkChem Lite v0.1.0 [M+Na]+ 179.8838155 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2020 18:16 / Updated at December 20, 2020 03:39