CGI560

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Ligands
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

Synonyms

CGI-560

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].

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].

Database Links
BindingDB Ligand	50388182
ChEMBL Ligand	CHEMBL2057914
GtoPdb PubChem SID	315661339
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