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CHIR-99021 | CHIR-99021 : ATP-competitive inhibitor of GSK3A, GSK3B
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
GSK3A
  • IC 50:6.7 nM
  • EC 50:763 nM
GSK3B
  • IC 50:10 nM
  • EC 50:763 nM
ATP competitive
10 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
CHIR-99021 is 5,000-10,000-fold selective for GSK kinases over 20 other protein kinases
Selectivity Assessment Description:
CHIR-99021 is 5,000-10,000-fold selective for GSK kinases over 20 other protein kinases. CHIR-99021 ...

Potency
Cellular
In Vitro

GSK3A

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.2337/diabetes.52.3.588

GSK3B

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.2337/diabetes.52.3.588

Chemical Information

Molecular Formula C22H18Cl2N8
SMILEs Cc1c[nH]c(-c2cnc(NCCNc3ccc(C#N)cn3)nc2-c2ccc(Cl)cc2Cl)n1
InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)
Molecular weight 464.10 Da
AlogP 0.0
HBond acceptors 8
HBond donors 3
Atoms 50

References

Publications

Cross References

canSARChEMBLBindingDBPDBGDSC1GDSC1

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 1 Jun 2016 )
Cellular Use Rating
In Model Organisms
This molecule is a potent and highly selective inhibitor of glycogen synthase kinase 3 (GSK-3) (IC50 6.7 GSK-3β; 10 nM GSK-3α) with >500-fold selectivity over closely related kinases and >800-fold selectivity...
by SERP
(on 17 Jun 2016 )
Cellular Use Rating
In Model Organisms
This is a selective glycogen synthase kinase-3 alpha and beta inhibitor with potent in vitro activity. It's been shown to inhibit the Wnt/beta-catenin pathway in several studies. This probe reduced...
by SERP
(on 15 Jun 2017 )
Cellular Use Rating
This is an appropriate molecule to consider for in vitro and in vivo studies, with data supporting its mechanism of action at GSK3, at downstream pathway points and in disease models in rats. One note...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria