GSK-1059615
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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-1059615
- DrugBank Accession Number
- DB11962
- Background
GSK1059615 has been used in trials studying the treatment of Lymphoma, Solid Tumours, Endometrial Cancer, Solid Tumor Cancer, and Metastatic Breast Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 333.37
Monoisotopic: 333.05719778 - Chemical Formula
- C18H11N3O2S
- Synonyms
- Not Available
- External IDs
- GSK-615
- GSK1059615
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ASerine/threonine-protein kinase mTOR inhibitorHumans APhosphatidylinositol 3-kinase catalytic subunit type 3 inhibitorHumans - 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Bipyridines and oligopyridines
- Direct Parent
- Bipyridines and oligopyridines
- Alternative Parents
- Quinolines and derivatives / Thiazolidinediones / Benzenoids / Heteroaromatic compounds / Dicarboximides / Thiocarbamic acid derivatives / Azacyclic compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives show 1 more
- Substituents
- Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Bipyridine / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound show 8 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 07YMO87363
- CAS number
- 958852-01-2
- InChI Key
- QDITZBLZQQZVEE-YBEGLDIGSA-N
- InChI
- InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
- IUPAC Name
- (5Z)-5-{[4-(pyridin-4-yl)quinolin-6-yl]methylidene}-1,3-thiazolidine-2,4-dione
- SMILES
- O=C1NC(=O)\C(S1)=C\C1=CC=C2N=CC=C(C3=CC=NC=C3)C2=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 23582824
- PubChem Substance
- 347828286
- ChemSpider
- 24747368
- ChEMBL
- CHEMBL3544966
- ZINC
- ZINC000043176569
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Terminated Treatment Solid Tumors 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 0.00404 mg/mL ALOGPS logP 2.71 ALOGPS logP 2.44 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 7.9 Chemaxon pKa (Strongest Basic) 4.97 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 71.95 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 93.12 m3·mol-1 Chemaxon Polarizability 33.27 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0bu3-0197000000-2580d614ee718cef6e7b Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-2dbf8594680f4c7290df Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0039000000-928de3b7406b43463632 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0091000000-dfeb933af88b655b3f11 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-5091000000-42122facbd833ec5cf5b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03xr-0091000000-7182df19460ad084b8e8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01wo-2090000000-ac5f949f1d97d62cff06 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]- 186.5810821 predictedDarkChem Lite v0.1.0 [M-H]- 177.27945 predictedDeepCCS 1.0 (2019) [M+H]+ 186.5021821 predictedDarkChem Lite v0.1.0 [M+H]+ 179.63747 predictedDeepCCS 1.0 (2019) [M+Na]+ 186.3169821 predictedDarkChem Lite v0.1.0 [M+Na]+ 186.68123 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsSerine/threonine-protein kinase mTOR
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Tfiiic-class transcription factor binding
- Specific Function
- Serine/threonine protein kinase which is a central regulator of cellular metabolism, growth and survival in response to hormones, growth factors, nutrients, energy and stress signals. MTOR directly...
- Gene Name
- MTOR
- Uniprot ID
- P42345
- Uniprot Name
- Serine/threonine-protein kinase mTOR
- Molecular Weight
- 288889.05 Da
References
- Xie J, Li Q, Ding X, Gao Y: GSK1059615 kills head and neck squamous cell carcinoma cells possibly via activating mitochondrial programmed necrosis pathway. Oncotarget. 2017 Feb 7;8(31):50814-50823. doi: 10.18632/oncotarget.15135. eCollection 2017 Aug 1. [Article]
- Bei S, Li F, Li H, Li J, Zhang X, Sun Q, Feng L: Inhibition of gastric cancer cell growth by a PI3K-mTOR dual inhibitor GSK1059615. Biochem Biophys Res Commun. 2019 Mar 26;511(1):13-20. doi: 10.1016/j.bbrc.2019.02.032. Epub 2019 Feb 11. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Protein kinase activity
- Specific Function
- Catalytic subunit of the PI3K complex that mediates formation of phosphatidylinositol 3-phosphate; different complex forms are believed to play a role in multiple membrane trafficking pathways: PI3...
- Gene Name
- PIK3C3
- Uniprot ID
- Q8NEB9
- Uniprot Name
- Phosphatidylinositol 3-kinase catalytic subunit type 3
- Molecular Weight
- 101548.63 Da
References
- Yang CY, Liu CR, Chang IY, OuYang CN, Hsieh CH, Huang YL, Wang CI, Jan FW, Wang WL, Tsai TL, Liu H, Tseng CP, Chang YS, Wu CC, Chang KP: Cotargeting CHK1 and PI3K Synergistically Suppresses Tumor Growth of Oral Cavity Squamous Cell Carcinoma in Patient-Derived Xenografts. Cancers (Basel). 2020 Jun 29;12(7). pii: cancers12071726. doi: 10.3390/cancers12071726. [Article]
Drug created at October 20, 2016 21:05 / Updated at May 06, 2022 19:16