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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

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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 public comments)
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