ceralasertib

Ligand id: 9390

Name: ceralasertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 116.23
Molecular weight 412.17
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Foote KM, Nissink JWM, McGuire T, Turner P, Guichard S, Yates JWT, Lau A, Blades K, Heathcote D, Odedra R et al.. (2018)
Discovery and Characterization of AZD6738, a Potent Inhibitor of Ataxia Telangiectasia Mutated and Rad3 Related (ATR) Kinase with Application as an Anticancer Agent.
J. Med. Chem., 61 (22): 9889-9907. [PMID:30346772]
2. Vendetti FP, Lau A, Schamus S, Conrads TP, O'Connor MJ, Bakkenist CJ. (2015)
The orally active and bioavailable ATR kinase inhibitor AZD6738 potentiates the anti-tumor effects of cisplatin to resolve ATM-deficient non-small cell lung cancer in vivo.
Oncotarget, 6 (42): 44289-305. [PMID:26517239]