NAV

GSK-1059615

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
3D
Similar Structures
Weight
Average: 333.37
Monoisotopic: 333.05719778
Chemical Formula
C18H11N3O2S
Synonyms
Not Available
External IDs
  • GSK-615
  • GSK1059615
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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
TargetActionsOrganism
ASerine/threonine-protein kinase mTOR
inhibitor
Humans
APhosphatidylinositol 3-kinase catalytic subunit type 3
inhibitor
Humans
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
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
PubChem Compound
23582824
PubChem Substance
347828286
ChemSpider
24747368
ChEMBL
CHEMBL3544966
ZINC
ZINC000043176569

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentSolid Tumors1

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 Solubility0.00404 mg/mLALOGPS
logP2.71ALOGPS
logP2.44Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)7.9Chemaxon
pKa (Strongest Basic)4.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area71.95 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity93.12 m3·mol-1Chemaxon
Polarizability33.27 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0bu3-0197000000-2580d614ee718cef6e7b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-2dbf8594680f4c7290df
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0039000000-928de3b7406b43463632
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0091000000-dfeb933af88b655b3f11
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-5091000000-42122facbd833ec5cf5b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03xr-0091000000-7182df19460ad084b8e8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01wo-2090000000-ac5f949f1d97d62cff06
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]-186.5810821
predicted
DarkChem Lite v0.1.0
[M-H]-177.27945
predicted
DeepCCS 1.0 (2019)
[M+H]+186.5021821
predicted
DarkChem Lite v0.1.0
[M+H]+179.63747
predicted
DeepCCS 1.0 (2019)
[M+Na]+186.3169821
predicted
DarkChem Lite v0.1.0
[M+Na]+186.68123
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Serine/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
  1. 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]
  2. 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]
Details2. Phosphatidylinositol 3-kinase catalytic subunit type 3
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
  1. 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