Ligand id: 8290

Name: entrectinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 85.52
Molecular weight 560.27
XLogP 5.94
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
Entrectinib is being evaluated in Phase II clinical trials (NCT02097810, NCT02568267) as a potential treatment for locally advanced or metastatic solid tumors carrying NTRK1/2/3, ROS1, or ALK gene rearrangements (fusions). Additionally, the US FDA has granted the compound orphan drug (OD) designation and rare pediatric disease designation for treatment of neuroblastoma, and OD designation for TrkA+ve, TrkB+ve, TrkC+ve, ROS1+ve and ALK+ve non-small cell lung cancer (NSCLC).
Mechanism Of Action and Pharmacodynamic Effects
Entrectinib is an orally available inhibitor of the tyrosine kinases TrkA, TrkB, TrkC, ROS1, and ALK. The properties and potential utility of this compound are discussed in [3] and [1].