GSK-356278

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

Identification

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Name
GSK-356278
Accession Number
DB12542
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK356278
Categories
UNII
1QTA9P992C
CAS number
720704-34-7
Weight
Average: 439.54
Monoisotopic: 439.179044247
Chemical Formula
C21H25N7O2S
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10252640
PubChem Substance
347828768
ChemSpider
8428126

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHuntington's Disease (HD) / Huntingtons Disease1
1CompletedTreatmentAnxiety Disorders / Depressive Disorder and Anxiety Disorders / Depressive Disorders / Major Depressive Disorder (MDD)1
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

Taxonomy

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
Pyrazolopyridine / 2,4,5-trisubstituted 1,3-thiazole / Aminopyridine / Secondary aliphatic/aromatic amine / Oxane / Pyridine / 1,3,4-oxadiazole / Heteroaromatic compound / Azole / Oxadiazole
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:47 / Updated on June 04, 2019 07:39