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GDC-0834 | GDC-0834 : ATP competitive inhibitor of BTK
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
BTK
  • IC50:6 nM
  • EC50:60 nM CD86; 350 nM CD63; 380 nM CD69
ATP competitive
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
excellent biochemical selectivity against a panel of 331 kinases, except for TEC-family kinase Bm ...
In Cell Selectivity Assessment
Selectivity Assessment Description:
Minimal to no off-target receptor activity when screened against a panel of 30 targets (all <3 ...

Potency
Cellular
In Vitro

BTK

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? No

DOI Reference: 10.1124/jpet.111.181545

In Vivo Validations

Rat, Mouse
Dose: 30-100 mg/Kg
Route of delivery: Oral
Systemic clearance: 4.4 mL/min/Kg

DOI Reference: 10.1124/jpet.111.181545

Orthogonal Probes def

CGI1746
SPEBRUTINIB

Chemical Information

Molecular Formula C33H36N6O3S
SMILEs Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc([C@@H]3C(=O)N(C)CCN3C)cc2)n1
InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1
Molecular weight 596.26 Da
AlogP 5.13682
HBond acceptors 9
HBond donors 2
Atoms 79

Vendors

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Expert Reviews

by SERP
(on 2 Jun 2021 )
Cellular Use Rating
In Model Organisms
This compound was shown to be a substrate and inhibitor of human aldehyde oxidase. It is a good tool compound to use in cells and small animals, but there are marketed BTK inhibitors that would be more...
by SERP
(on 22 Jun 2021 )
Cellular Use Rating
At higher concentrations (3-10 uM) this compound has off-target activities in human primary cell assays that may confound interpretation of results in phenotypic assays or animal studies. These activities...
by SERP
(on 13 Jul 2021 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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