compound 1o [PMID: 24210504]

Ligand id: 8143

Name: compound 1o [PMID: 24210504]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 98.03
Molecular weight 429.23
XLogP 1.97
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
Compound 1o is over 100-fold selective for GRK5 compared to GRK2 [1]. Reported off-targets include receptor tyrosine kinases c-MET (HGFR), ALK and FLT3 [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
G protein-coupled receptor kinase 5 Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 5.9x10-8 M) [1]
beta adrenergic receptor kinase 1 Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 4.6x10-7 M) [1]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MET proto-oncogene, receptor tyrosine kinase Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]