bimiralisib   Click here for help

GtoPdb Ligand ID: 8383

Synonyms: PQR-309 | PQR309
PDB Ligand
Compound class: Synthetic organic
Comment: Bimiralisib (PQR309) is a novel dual inhibitor of phosphoinositol 3-kinase (PI3K) and mechanistic target of rapamycin (mTOR) kinases, with expected utility as an anti-cancer agent (see AACR poster #2664, 2015).
The discovery of PQR309 is claimed in patent WO-2010052569-A2, where it is compound 54 (in structure tables) and Example P11 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 102.52
Molecular weight 411.16
XLogP 1.83
No. Lipinski's rules broken 0
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Canonical SMILES Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Isomeric SMILES Nc1ncc(c(c1)C(F)(F)F)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
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Summary of Clinical Use Click here for help
PQR309 is being evaluated in Phase 1 clinical trials in patients with various advanced solid tumors (NCT01940133) and relapsed or refractory lymphomas (NCT02249429).
Mechanism Of Action and Pharmacodynamic Effects Click here for help
The PI3K signaling pathway is frequently activated in tumors and promotes oncogenic cell transformation, proliferation and tumor growth. Pharmaceutical companies are actively developing novel and selective PI3K inhibitors, such as PQR309, for use in oncology.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT01940133 A Study to Investigate Safety, Pharmacokinetics (PK) and Pharmacodynamics (PD) of PQR309 Phase 1 Interventional PIQUR Therapeutics AG
NCT02249429 Open-Label, Non Randomized Phase 2 Study With Safety Run-In Phase 2 Interventional PIQUR Therapeutics AG