compound 5b [PMID: 24900464]

Ligand id: 8171

Name: compound 5b [PMID: 24900464]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 110.9
Molecular weight 371.15
XLogP 1.49
No. Lipinski's rules broken 0

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
homeodomain interacting protein kinase 2 Hs Inhibitor Inhibition >8.5 pIC50 - 1
pIC50 >8.5 (IC50 <3x10-9 M) [1]
Casein kinase 2 Hs Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5x10-9 M) [1]
dual specificity tyrosine phosphorylation regulated kinase 2 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6x10-8 M) [1]
glycogen synthase kinase 3 beta Hs Inhibitor Inhibition 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.5x10-7 M) [1]