Ligand id: 9400

Name: AZ3146

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 83.06
Molecular weight 452.25
XLogP 2.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
In a kinase profile screen AZ3146 inhibited TTK by >80% [1]. FAK, JNK1, JNK2 and KIT are potential off-targets being inhibited by 43%, 68%, 64% and 58% respectively. All other tested kinases were inhibited by <40%.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TTK protein kinase Hs Inhibitor Inhibition ~7.5 pIC50 - 1
pIC50 ~7.5 (IC50 ~3.5x10-8 M) [1]
Description: In vitro assay using a His-tagged catalytic domain fragment of MPS1 (amino acids 510–857).