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BAY1125976 | BAY1125976 : Allosteric inhibitor of AKT2, AKT1
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
AKT2
  • IC 50:18/36 nM Hi/Lo ATP
  • IC 50:0.9 nM (T308); 1.1 nM (S473)
AKT1
  • IC 50: 5.2/44 Hi/Lo ATP
  • Kd:2.7 (active), 1.3 (inactive) nM
  • IC50:0.9 nM (T308); 1.1 nM (S473)
Allosteric
up to 300 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - AKT3 427 nM @ 10mM ATP

Selectivity Assessment Description:
The selectivity of BAY 1125976 was assessed using two different kinase panels: the 230 kinase Kin ...

Potency
Cellular
In Vitro

AKT2

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1002/ijc.30457

AKT1

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1002/ijc.30457

In Vivo Validations

Mouse
Dose: 10 - 50 mg/Kg
Route of delivery: Oral

DOI Reference: 10.3390/cancers11121987

Chemical Information

Molecular Formula C23H21N5O
SMILEs NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChI InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)
Molecular weight 383.17 Da
AlogP 3.5001000000000024
HBond acceptors 6
HBond donors 4
Atoms 50

References

Publications

Cross References

Vendors

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Expert Reviews

by SERP
(on 4 Nov 2020 )
Cellular Use Rating
In Model Organisms
There are several inhibitors of this class, including Miransertib (ARQ092), MK2206, and Borussertib. Miransertib has some advantages with PK (particularly longer half-life: https://pubs.acs.org/doi/full/10.1021/acs.jmedchem.6b00619)...
by SERP
(on 12 Nov 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
by SERP
(on 17 Nov 2020 )
Cellular Use Rating
In Model Organisms
( The reviewer did not leave any comments )
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