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

Identification

Generic Name
GSK-356278
DrugBank Accession Number
DB12542
Background

Gsk356278 has been used in trials studying the treatment and basic science of Anxiety Disorders, Huntington Disease, Depressive Disorder, Huntingtons Disease, and Depressive Disorder, Major, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 439.54
Monoisotopic: 439.179044247
Chemical Formula
C21H25N7O2S
Synonyms
Not Available
External IDs
  • GSK356278

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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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 pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyridines
Sub Class
Not Available
Direct Parent
Pyrazolopyridines
Alternative Parents
2,4,5-trisubstituted thiazoles / Secondary alkylarylamines / Aminopyridines and derivatives / Oxanes / Pyrazoles / Heteroaromatic compounds / 1,3,4-oxadiazoles / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds
show 1 more
Substituents
1,3,4-oxadiazole / 2,4,5-trisubstituted 1,3-thiazole / Amine / Aminopyridine / Aromatic heteropolycyclic compound / Azacycle / Azole / Dialkyl ether / Ether / Heteroaromatic compound
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
1QTA9P992C
CAS number
720704-34-7
InChI Key
AWDJJMXJUOHGLC-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)
IUPAC Name
5-{5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-ethyl-N-(oxan-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
SMILES
CCN1N=CC2=C(NC3CCOCC3)C(=CN=C12)C1=NN=C(CC2=C(C)N=C(C)S2)O1

References

General References
Not Available
PubChem Compound
10252640
PubChem Substance
347828768
ChemSpider
8428126
ZINC
ZINC000038428932

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHuntington's Disease (HD)1
1CompletedTreatmentDepressive Disorder and Anxiety Disorders1
1CompletedTreatmentHuntington's Disease (HD)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 Solubility0.0701 mg/mLALOGPS
logP3.14ALOGPS
logP0.37ChemAxon
logS-3.8ALOGPS
pKa (Strongest Basic)3.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area103.78 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity141.72 m3·mol-1ChemAxon
Polarizability47.03 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:47 / Updated at June 12, 2020 16:53