Ligand id: 9427

Name: empesertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 123.07
Molecular weight 559.17
XLogP 5.12
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Wengner AM, Siemeister G, Koppitz M, Schulze V, Kosemund D, Klar U, Stoeckigt D, Neuhaus R, Lienau P, Bader B et al.. (2016)
Novel Mps1 Kinase Inhibitors with Potent Antitumor Activity.
Mol. Cancer Ther., 15 (4): 583-92. [PMID:26832791]