afuresertib

Ligand id: 7890

Name: afuresertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 101.18
Molecular weight 426.05
XLogP 3.15
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
Afuresertib has shown favourable safety, pharmacokinetics, and clinical activity in multiple myeloma [2].
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 10.1 pKi - 1
pKi 10.1 (Ki 8x10-11 M) [1]
AKT serine/threonine kinase 2 Inhibitor Inhibition 8.7 pKi - 1
pKi 8.7 (Ki 2x10-9 M) [1]
AKT serine/threonine kinase 3 Inhibitor Inhibition 8.6 pKi - 1
pKi 8.6 (Ki 2.6x10-9 M) [1]