Ligand id: 7729

Name: AT-406

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 110.85
Molecular weight 561.33
XLogP 6.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Cai Q, Sun H, Peng Y, Lu J, Nikolovska-Coleska Z, McEachern D, Liu L, Qiu S, Yang CY, Miller R et al.. (2011)
A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment.
J. Med. Chem., 54 (8): 2714-26. [PMID:21443232]