compound 5 [PMID: 23232060]

Ligand id: 8192

Name: compound 5 [PMID: 23232060]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 73.65
Molecular weight 429.22
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Although compound 5 is a highly potent inhibitor of TNIK, it was not screened against any other kinases, so we cannot comment on its selectivity profile, or categorically state that TNIK is its primary molecular target.
Selectivity at Human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TRAF2 and NCK interacting kinase Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]