compound 3b [PMID: 23454515]

Ligand id: 8127

Name: compound 3b [PMID: 23454515]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 134.89
Molecular weight 498.21
XLogP 1.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
dual specificity tyrosine phosphorylation regulated kinase 1A Hs Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.8x10-8 M) [1]
CDC like kinase 1 Mm Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.1x10-8 M) [1]
CDC like kinase 4 Mm Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.1x10-8 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 1B Hs Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 7.2x10-8 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 2 Hs Inhibitor Inhibition 6.9 pIC50 - 1
pIC50 6.9 (IC50 1.3x10-7 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 3 Hs Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.8x10-7 M) [1]
CDC like kinase 2 Mm Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 2.1x10-7 M) [1]
CDC like kinase 3 Mm Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.5x10-7 M) [1]