CCT244747

Ligand id: 8215

Name: CCT244747

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 114.01
Molecular weight 408.2
XLogP 0.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
Synonyms
compound 26 [PMID: 23082860] [1]
Database Links
ChEMBL Ligand CHEMBL2203843
PubChem CID 54758482
Search Google for chemical match using the InChIKey IENLGMOXAQMNEH-CYBMUJFWSA-N
Search Google for chemicals with the same backbone IENLGMOXAQMNEH
Search UniChem for chemical match using the InChIKey IENLGMOXAQMNEH-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone IENLGMOXAQMNEH
Comments
CCT244747 is reported as checkpoint kinase 1 (CHK1)-selective tool compound suitable for in vitro and in vivo pharmacological studies [1],