Ligand id: 8472

Name: AZD2461

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 58.64
Molecular weight 395.16
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
Although PARP enzymes are considered to be the primary molecular targets of AZD2461 [2], we have been unable to find peer-reviewed affinity data to substantiate this claim. Compound 2b provides an IC50 value of 5nM against PARP isolated from HeLa cells [3].