compound 6j [PMID: 27219676]

Ligand id: 9230

Name: compound 6j [PMID: 27219676]

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 75.94
Molecular weight 492.19
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
In a kinase screening panel, 6j exhibited binding affinity values (Kd) of 18, 22, and 100nM for the TRKC, TRKB and TRKA enzymes repectively [5]. These were the highest affinity values detected apart from DDR1.
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
discoidin domain receptor tyrosine kinase 1 Inhibitor Inhibition 8.3 pKd - 5
pKd 8.3 (Kd 4.7x10-9 M) [5]
Description: Binding affinity
discoidin domain receptor tyrosine kinase 1 Inhibitor Inhibition 8.0 pIC50 - 5
pIC50 8.0 (IC50 9.4x10-9 M) [5]
Description: Inhibition of kinase activity in a TR-FRET assay