CGI560

Ligand id: 9264

Name: CGI560

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 71.32
Molecular weight 461.22
XLogP 8.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
CGI-560
Database Links
BindingDB Ligand 50388182
ChEMBL Ligand CHEMBL2057914
PubChem CID 11397050
Search Google for chemical match using the InChIKey IJMHHZDBRUGXNO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IJMHHZDBRUGXNO
Search UniChem for chemical match using the InChIKey IJMHHZDBRUGXNO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IJMHHZDBRUGXNO
Comments
CGI560 is a potent, reversible Bruton's tyrosine kinase (BTK) inhibitor, that was tested preclinically for potential clinical utility in inflammatory diseases and B cell malignancies. Structure depicted in [1]. Hit-to-lead chemistry based on CGI560's structure resulted in the discovery of CGI1746, with improved potency and selectivity [1].