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BAY-3827 | BAY-3827 : ATP competitive inhibitor of PRKAA1 and RPS6KA1
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 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
PRKAA1
  • IC50:1.4, 15 nM (High/Low ATP)
  • IC50:7 nM
  • IC 50:150 nM
  • IC 50:390 nM
RPS6KA1
  • IC50:9.1 nM
    ATP competitive
    500-1000 nM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    Selectivity > 500 fold against 322 out of 329 off-kinases tested; Most potent off-kinases @ 1µM: RPS ...

    Potency
    Cellular
    In Vitro

    PRKAA1

    Mode of Action: ATP competitive

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1007/s13402-020-00584-8

    RPS6KA1

    Mode of Action: ATP competitive

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1007/s13402-020-00584-8

    Negative Control Compounds

    BAY-974
    Notes: BAY-974 inactive (IC50 > 30 µM); Shows off-target activity in the GPCR scan for GABA/PBR (Ki = 20.99 nM) and TMEM97 (Ki =4470.95 nM)

    Chemical Information

    Molecular Formula C27H25FN6O
    SMILEs CCc1ccccc1C(=O)Nc1n[nH]c2c(C)c(F)c(C3C(C#N)=C(C)N(C)C(C)=C3C#N)cc12
    InChI InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)
    Molecular weight 468.21 Da
    AlogP 5.449280000000005
    HBond acceptors 7
    HBond donors 2
    Atoms 60

    References

    Publications

    Cross References

    canSARChEMBLSGC additional analysis

    Vendors

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    Expert Reviews

    by SERP
    (on 3 Aug 2020 )
    Cellular Use Rating
    ( The reviewer did not leave any comments )
    by SERP
    (on 24 Mar 2021 )
    Cellular Use Rating
    AMPK is an important kinase in energy metabolism and regulation, yet there is no reported quality tool compounds beside BAY-3827. The compound demonstrates cellular target engagement by inhibiting phosphorylation...
    by SERP
    (on 22 Mar 2023 )
    Cellular Use Rating
    ( The reviewer did not leave any comments )
    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