GSK1059615   Click here for help

GtoPdb Ligand ID: 9826

Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES O=C1NC(=O)C(=Cc2ccc3c(c2)c(ccn3)c2ccncc2)S1
Isomeric SMILES O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1
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-
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Molecular structure representations generated using Open Babel