GSK1059615

Ligand id: 9826

Name: GSK1059615

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 97.25
Molecular weight 333.06
XLogP 2.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
Comments
GSK1059615 is a PI3K and mTOR dual inhibitor [1]. Some data on this compound is nested in a paper characterising GSK2126458 that we have as Omipalisib. GSK1059615 was later reported to inhibited survival and proliferation of established (SCC-9, SQ20B and A253 lines) and primary human HNSCC cells, possibly the latter via programmed necrosis pathway [2] . However,a Phase 1 dose-escalation study against solid tumors or lymphoma was terminated prematurely (July 2017) due to lack of sufficient exposure.
Database Links
CAS Registry No. 958852-01-2 (source: PubChem)
ChEMBL Ligand CHEMBL3544966
GtoPdb PubChem SID 354702297
PubChem CID 23582824
Search Google for chemical match using the InChIKey QDITZBLZQQZVEE-YBEGLDIGSA-N
Search Google for chemicals with the same backbone QDITZBLZQQZVEE
Search UniChem for chemical match using the InChIKey QDITZBLZQQZVEE-YBEGLDIGSA-N
Search UniChem for chemicals with the same backbone QDITZBLZQQZVEE

Product suppliers

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Tocris
GSK 1059615
Cat. No. 4026