CCT245737

Ligand id: 9187

Name: CCT245737

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 107.78
Molecular weight 379.14
XLogP 0.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Osborne JD, Matthews TP, McHardy T, Proisy N, Cheung KJ, Lainchbury M, Brown N, Walton MI, Eve PD, Boxall KJ et al.. (2016)
Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J. Med. Chem.,  [Epub ahead of print]. [PMID:27167172]
2. Walton MI, Eve PD, Hayes A, Henley AT, Valenti MR, De Haven Brandon AK, Box G, Boxall KJ, Tall M, Swales K et al.. (2016)
The clinical development candidate CCT245737 is an orally active CHK1 inhibitor with preclinical activity in RAS mutant NSCLC and Eµ-MYC driven B-cell lymphoma.
Oncotarget7 (3): 2329-42. [PMID:26295308]