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CGI1746 | CGI1746 : ATP competitive inhibitor of BTK
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
BTK
  • Kd:1.5 nM
  • IC50:1.9 nM
  • IC50:~2.9 nM
ATP competitive
30 nm - 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
CGI1746 is ~1,000-fold selective over the next kinase in Ambit KinomeScan of 385 kinases and UBI Kin ...
Selectivity Assessment Description:
Against 82 non-kinase targets, CGI1746 showed <40% inhibition at 1 uM for all targets, and &lt ...

Potency
Cellular
In Vitro

BTK

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nchembio.481

In Vivo Validations

Mouse
Dose: 100 mg/kg
Route of delivery: Subcutaneous

DOI Reference: 10.1038/nchembio.481

Orthogonal Probes def

AVL-252
GDC-0834

Chemical Information

Molecular Formula C34H37N5O4
SMILEs Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
Molecular weight 579.28 Da
AlogP 5.52152
HBond acceptors 9
HBond donors 2
Atoms 80

Vendors

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Expert Reviews

by SERP
(on 14 Jun 2016)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
by SERP
(on 6 Sept 2016)
Cellular Use Rating
In Model Organisms
Exceptional kinase selectivity for BTK.
by SERP
(on 7 Jun 2017)
Cellular Use Rating
In Model Organisms
(The reviewer did not leave any public comments)
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