Ligand id: 7716

Name: AZD8542

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 69.04
Molecular weight 412.19
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. AstraZeneca. 
Accessed on 12/09/2014. Modified on 12/09/2014.,
2. Hwang RF, Moore TT, Hattersley MM, Scarpitti M, Yang B, Devereaux E, Ramachandran V, Arumugam T, Ji B, Logsdon CD et al.. (2012)
Inhibition of the hedgehog pathway targets the tumor-associated stroma in pancreatic cancer.
Mol. Cancer Res., 10 (9): 1147-57. [PMID:22859707]