GSK-239512
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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
- GSK-239512
- DrugBank Accession Number
- DB15120
- Background
GSK-239512 is under investigation in clinical trial NCT00474513 (An Imaging Study to Investigate the Distribution of GSK239512 in the Brain.).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 377.488
Monoisotopic: 377.210327121 - Chemical Formula
- C23H27N3O2
- Synonyms
- Not Available
- External IDs
- GSK239512
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAmphetamine Amphetamine may decrease the sedative activities of GSK-239512. Benzphetamine Benzphetamine may decrease the sedative activities of GSK-239512. Benzylpenicilloyl polylysine GSK-239512 may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent. Betahistine The therapeutic efficacy of Betahistine can be decreased when used in combination with GSK-239512. Dextroamphetamine Dextroamphetamine may decrease the sedative activities of GSK-239512. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4I7U5C459M
- CAS number
- 720691-69-0
- InChI Key
- YFRBKEVUUCQYOW-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
- IUPAC Name
- 1-{6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]pyridin-3-yl}pyrrolidin-2-one
- SMILES
- O=C1CCCN1C1=CC=C(OC2=CC3=C(CCN(CC3)C3CCC3)C=C2)N=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8152484
- BindingDB
- 50444496
- ChEMBL
- CHEMBL3092650
- ZINC
- ZINC000003961802
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Alzheimer's Disease (AD) 1 2 Completed Treatment Relapsing Remitting Multiple Sclerosis (RRMS) 1 2 Completed Treatment Schizophrenia 1 1 Completed Other Multiple Sclerosis 1 1 Completed Treatment Alzheimer's Disease (AD) 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 0.236 mg/mL ALOGPS logP 3.98 ALOGPS logP 3.36 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 9.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 45.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 109.75 m3·mol-1 Chemaxon Polarizability 42.99 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 splash10-004i-0009000000-029c2785c52a310d644f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-7d9572cbe314f9d65db1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fbi-0009000000-00a834a26b85077d6208 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-057i-0009000000-d61a9f82ee1674918f9d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0mdv-1009000000-59bc2a7dcdc62602d700 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-009i-2369000000-df577e0f6c28d0fcd8bb 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 14:51 / Updated at June 12, 2020 16:53