VS-5584   

GtoPdb Ligand ID: 8382

Synonyms: SB 2343 | SB2343 | VS5584
Compound class: Synthetic organic
Comment: VS-5584 (SB2343) is a potent and selective dual PI3K (phosphatidylinositol 3-kinase)/mTOR (mechanistic target of rapamycin) kinase inhibitor [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 107.87
Molecular weight 354.19
XLogP 1.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
Isomeric SMILES Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
InChI InChI=1S/C17H22N8O/c1-10(2)25-11(3)21-14-13(12-8-19-16(18)20-9-12)22-17(23-15(14)25)24-4-6-26-7-5-24/h8-10H,4-7H2,1-3H3,(H2,18,19,20)
InChI Key QYBGBLQCOOISAR-UHFFFAOYSA-N
No information available.
Summary of Clinical Use
VS-5584 progressed to Phase 1 clinical trials in hematologic and non-hematologic cancers, although the two trials were terminated. The sponsor of the studies (Verastem, Inc) terminated them proceeding from a decision to de-prioritize VS-5584 development.