compound 17 [PMID: 23642479]

Ligand id: 8161

Name: compound 17 [PMID: 23642479]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 56.27
Molecular weight 373.04
XLogP 4.18
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 17 has similar potency across CLK1, -2, and -4, and DYRK1A and -1B. It has no inhibitory effect on CLK3 [1]. We tag CLK1 as primary target for data metrics purposes, and this is not intended to indicate 'sole' target activity in this case.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CDC like kinase 1 Inhibitor Inhibition 8.7 pIC50 - 1
pIC50 8.7 (IC50 2x10-9 M) [1]
CDC like kinase 4 Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 1A Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 1B Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
CDC like kinase 2 Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.3x10-8 M) [1]