Ligand id: 7790

Name: alisertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 105.93
Molecular weight 518.12
XLogP 4.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Alisertib was in Phase III clinical development for the treatment of relapsed/refractory peripheral T-cell lymphoma (NCT01482962), but this study has been terminated (May 2015). A Phase II study for unresectable stage III-IV melanoma (NCT01316692) is still ongoing.
Mechanism Of Action and Pharmacodynamic Effects
Since Aurora kinase A localises to spindle poles and spindle microtubules during mitosis, it is thought to regulate spindle assembly. Aberrant expression of Aurora kinases occurs in a wide variety of cancers, including colon and breast cancers. Inhibition of Aurora kinase A by alicertib appears to disrupt the assembly of the mitotic spindle apparatus culminating in the reduced cellular proliferation [1,3].