Ligand id: 7955

Name: alpelisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 129.45
Molecular weight 441.14
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
A Phase I/II clinical trial (NCT01602315) is underway for recurrent or metastatic head and neck squamous cell carcinoma in patients who are resistant, ineligible or intolerant to platinum-based chemotherapy, with the Phase II component using a combination of alpelisib and cetuximab. An additional Phase II trial (NCT02144038) is assessing alpelisib in combination with the pan-PIM kinase inhibitor LGH447 [2] as a potential anti-multiple myeloma therapy.
Mechanism Of Action and Pharmacodynamic Effects
Alpelisib selectively inhibits PIK3 in the PI3K/AKT kinase (or protein kinase B) signaling pathway, thereby inhibiting the activation of the PI3K signaling pathway. This may result in inhibition of tumour cell growth and survival in susceptible tumour cell populations.