GSK-239512

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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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.
DrugInteraction
AmphetamineAmphetamine may decrease the sedative activities of GSK-239512.
BenzphetamineBenzphetamine may decrease the sedative activities of GSK-239512.
Benzylpenicilloyl polylysineGSK-239512 may decrease effectiveness of Benzylpenicilloyl polylysine as a diagnostic agent.
BetahistineThe therapeutic efficacy of Betahistine can be decreased when used in combination with GSK-239512.
DextroamphetamineDextroamphetamine 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
ChemSpider
8152484
BindingDB
50444496
ChEMBL
CHEMBL3092650
ZINC
ZINC000003961802

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentRelapsing Remitting Multiple Sclerosis (RRMS)1
2CompletedTreatmentSchizophrenia1
1CompletedOtherMultiple Sclerosis1
1CompletedTreatmentAlzheimer'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
PropertyValueSource
Water Solubility0.236 mg/mLALOGPS
logP3.98ALOGPS
logP3.36Chemaxon
logS-3.2ALOGPS
pKa (Strongest Basic)9.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area45.67 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity109.75 m3·mol-1Chemaxon
Polarizability42.99 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/MSsplash10-004i-0009000000-029c2785c52a310d644f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-7d9572cbe314f9d65db1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fbi-0009000000-00a834a26b85077d6208
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-057i-0009000000-d61a9f82ee1674918f9d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0mdv-1009000000-59bc2a7dcdc62602d700
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-009i-2369000000-df577e0f6c28d0fcd8bb
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 14:51 / Updated at June 12, 2020 16:53