compound 1 [PMID: 20005102]

Ligand id: 8181

Name: compound 1 [PMID: 20005102]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 105.75
Molecular weight 463.2
XLogP 4.78
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
Off-targets include P70S6K, PAK1, PDK1, PKA and RSK [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
AKT serine/threonine kinase 1 Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
protein kinase A Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
AKT serine/threonine kinase 3 Inhibitor Inhibition 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
ribosomal protein S6 kinase B1 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
AKT serine/threonine kinase 2 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.2x10-8 M) [1]
3-phosphoinositide dependent protein kinase 1 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5x10-8 M) [1]
p21 (RAC1) activated kinase 1 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 3.1x10-8 M) [1]