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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

    Note: This is not an exhaustive list and does not indicate endorsement by the portal.

    Expert Reviews

    by SERP
    (on 3 Aug 2020)
    Cellular Use Rating
    (The reviewer did not leave any public 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 public 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