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

Classification
Compound class Synthetic organic
IUPAC Name
5-[(4-{[(2R)-morpholin-2-ylmethyl]amino}-5-(trifluoromethyl)pyridin-2-yl)amino]pyrazine-2-carbonitrile
Synonyms
compound 4 [PMID: 27167172]
Database Links
PubChem CID 72165232
Search Google for chemical match using the InChIKey YBYYWUUUGCNAHQ-LLVKDONJSA-N
Search Google for chemicals with the same backbone YBYYWUUUGCNAHQ
Search UniChem for chemical match using the InChIKey YBYYWUUUGCNAHQ-LLVKDONJSA-N
Search UniChem for chemicals with the same backbone YBYYWUUUGCNAHQ
Comments
CCT245737 is a potent, selective and orally available inhibitor of serine-threonine kinase CHK1 [1], with preclinical activity in RAS mutant non-small cell lung cancer and Eμ-MYC driven B-cell lymphoma [2].