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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Thus far in vitro and in vivo activity has only been reported in meeting abstracts (see references 71-73 in [1], or generated via PubChem Bioassay. PubChem Bioassay results report Ki values of 1nM (ALK), 1.58nM (TrkA, NTRK1), 2.51nM (TrkB, NTRK2) and 1.58nM (TrkC, NTRK3).