GSK-356278
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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-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
- Weight
- Average: 439.54
Monoisotopic: 439.179044247 - Chemical Formula
- C21H25N7O2S
- Synonyms
- Not Available
- External IDs
- GSK356278
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.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
- External Links
- PubChem Compound
- 10252640
- PubChem Substance
- 347828768
- ChemSpider
- 8428126
- ZINC
- ZINC000038428932
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Basic Science Huntington's Disease (HD) 1 1 Completed Treatment Depressive Disorder and Anxiety Disorders 1 1 Completed Treatment Huntington'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
Property Value Source Water Solubility 0.0701 mg/mL ALOGPS logP 3.14 ALOGPS logP 0.37 Chemaxon logS -3.8 ALOGPS pKa (Strongest Basic) 3.32 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 103.78 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 141.72 m3·mol-1 Chemaxon Polarizability 47.03 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 splash10-0006-0000900000-a32592d3c585e7f16473 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0100900000-5b91daf781c134cb29a7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0000900000-4e4211ca8c6c96973a76 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0439700000-f9d14f41bc369684169c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-002f-0319400000-7a7e33acbf5dfe1035fb Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-022i-3923600000-d8a29405553d4d11356b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 230.3224398 predictedDarkChem Lite v0.1.0 [M-H]- 195.7917 predictedDeepCCS 1.0 (2019) [M+H]+ 230.6584398 predictedDarkChem Lite v0.1.0 [M+H]+ 198.14969 predictedDeepCCS 1.0 (2019) [M+Na]+ 230.5899398 predictedDarkChem Lite v0.1.0 [M+Na]+ 204.593 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:47 / Updated at June 12, 2020 16:53