GSK2292767   Click here for help

GtoPdb Ligand ID: 10633

Synonyms: compound 2 [PMID: 30532965] | compound 3 [PMID: 26301626] | GSK-2292767
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK2292767 is a selective PI3Kδ inhibitor that was developed as a back-up compound to clinical lead nemiralisib (GSK2269557) [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 143.85
Molecular weight 512.18
XLogP 2.78
No. Lipinski's rules broken 0
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Canonical SMILES COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2CC(C)OC(C2)C)c2c(c1)[nH]nc2
Isomeric SMILES COc1ncc(cc1NS(=O)(=O)C)c1cc(c2ncc(o2)CN2C[C@H](C)O[C@@H](C2)C)c2c(c1)[nH]nc2
InChI InChI=1S/C24H28N6O5S/c1-14-11-30(12-15(2)34-14)13-18-9-26-23(35-18)19-5-16(6-21-20(19)10-27-28-21)17-7-22(29-36(4,31)32)24(33-3)25-8-17/h5-10,14-15,29H,11-13H2,1-4H3,(H,27,28)/t14-,15+
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Molecular structure representations generated using Open Babel