NAV

GSK-1521498

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

Identification

Generic Name
GSK-1521498
DrugBank Accession Number
DB12886
Background

GSK1521498 has been used in trials studying the treatment of Obesity and Alcoholism.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 402.449
Monoisotopic: 402.165602986
Chemical Formula
C24H20F2N4
Synonyms
Not Available
External IDs
  • GSK1521498
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenyl-1,2,4-triazoles / Indanes / Phenylmethylamines / Benzylamines / Fluorobenzenes / Aralkylamines / Aryl fluorides / Heteroaromatic compounds / Dialkylamines / Azacyclic compounds
show 2 more
Substituents
1,2,4-triazole / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzylamine / Biphenyl
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
W0UTB622GK
CAS number
1007573-18-3
InChI Key
WIEDUMBCZQRGSY-UHFFFAOYSA-N
InChI
InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)
IUPAC Name
N-{[3,5-difluoro-3'-(1H-1,2,4-triazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}-2,3-dihydro-1H-inden-2-amine
SMILES
FC1=CC(=CC(F)=C1CNC1CC2=CC=CC=C2C1)C1=CC=CC(=C1)C1=NNC=N1

References

General References
Not Available
PubChem Compound
24737629
PubChem Substance
347829041
ChemSpider
32701351

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentObesity1
1CompletedBasic ScienceObesity1
1CompletedTreatmentAlcohol Dependency2

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 Solubility0.00111 mg/mLALOGPS
logP4.26ALOGPS
logP5.53Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)10.58Chemaxon
pKa (Strongest Basic)8.11Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area53.6 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity125.5 m3·mol-1Chemaxon
Polarizability43.02 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0udi-0030900000-111e31207b0e373c16bb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0090100000-c5fc79c68311cfab0e2a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-1439700000-63fa35bea24fc196be42
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uyi-3029400000-e1495ba3404286139c7f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fxx-1269100000-e44704f67bba05ce3584
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-6197100000-f2d7aae16c2e90c46c22
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-188.15663
predicted
DeepCCS 1.0 (2019)
[M+H]+190.51463
predicted
DeepCCS 1.0 (2019)
[M+Na]+197.38316
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:01 / Updated at June 12, 2020 16:53