Ligand id: 8014

Name: CHIR-99021

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 115.2
Molecular weight 464.1
XLogP 3.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

No information available.
Mechanism Of Action and Pharmacodynamic Effects
GSK-3 negatively regulates several aspects of insulin signalling, and upregulated GSK-3 activity may be involved in the development of insulin resistance in type 2 diabetes [2,4] and in neurodegenerative disease [1,3,6]. GSK-3 inhibitors have therefore become the focus of intense drug discovery efforts.
CHIR-99021 is one such investigational inhibitor, which shows >500-fold selectivity for GSK-3 versus its closest homologues cyclin-dependent kinase 1 (CDC2) and mitogen-activated protein kinase 1 (ERK2), as well as other protein kinases [5].