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

1. Dumble M, Crouthamel MC, Zhang SY, Schaber M, Levy D, Robell K, Liu Q, Figueroa DJ, Minthorn EA, Seefeld MA et al.. (2014)
Discovery of novel AKT inhibitors with enhanced anti-tumor effects in combination with the MEK inhibitor.
PLoS ONE, 9 (6): e100880. [PMID:24978597]
2. Spencer A, Yoon SS, Harrison SJ, Morris SR, Smith DA, Brigandi RA, Gauvin J, Kumar R, Opalinska JB, Chen C. (2014)
The novel AKT inhibitor afuresertib shows favorable safety, pharmacokinetics, and clinical activity in multiple myeloma.
Blood, 124 (14): 2190-5. [PMID:25075128]