BX-795

Ligand id: 8006

Name: BX-795

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 139.52
Molecular weight 591.09
XLogP 3.98
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
3-phosphoinositide dependent protein kinase 1 Inhibitor Inhibition 8.0 pIC50 - 2
pIC50 8.0 (IC50 1.1x10-8 M) [2]
Description: In a direct kinase activity measuring phosphorylation od a small peptide substrate mimetic
cyclin dependent kinase 2 Inhibitor Inhibition 6.4 pIC50 - 2
pIC50 6.4 (IC50 4.3x10-7 M) [2]
checkpoint kinase 1 Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 5.1x10-7 M) [2]
glycogen synthase kinase 3 beta Inhibitor Inhibition 6.2 pIC50 - 2
pIC50 6.2 (IC50 6.2x10-7 M) [2]
protein kinase A Inhibitor Inhibition 6.1 pIC50 - 2
pIC50 6.1 (IC50 8.4x10-7 M) [2]
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
kinase insert domain receptor Inhibitor Inhibition 6.0 pIC50 - 2
pIC50 6.0 (IC50 1.1x10-6 M) [2]