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

1. Graziani G, Szab√≥ C. (2005)
Clinical perspectives of PARP inhibitors.
Pharmacol. Res., 52 (1): 109-18. [PMID:15911339]
2. Jaspers JE, Kersbergen A, Boon U, Sol W, van Deemter L, Zander SA, Drost R, Wientjens E, Ji J, Aly A et al.. (2013)
Loss of 53BP1 causes PARP inhibitor resistance in Brca1-mutated mouse mammary tumors.
Cancer Discov, 3 (1): 68-81. [PMID:23103855]
3. Menear KA, Javaid MH, Gomez S, Hummersone MG, Lence CF, Martin NMB, Rudge DA, Roberts CA, Blades K. (2009)
Phthalazinone derivatives.
Patent number: WO2009093032 A1. Assignee: Astrazeneca Ab.. Priority date: 23/01/2008. Publication date: 30/07/2009.