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I-BET151 | Antagonist of BRD4, BRD2, BRD3
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
BRD4
  • IC50:790 nM
  • Kd:100 nM
  • IC 50:160 nM
BRD2
  • IC 50:500 nM
  • Kd:20 nM
  • IC 50:1260 nM
BRD3
  • IC 50:250 nM
    Antagonist
    250 nM - 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    At 10 uM, I-BET151 had minimal activity (<40%) against a broad panel of pharmacologically active rec ...
    In Cell Selectivity Assessment
    Selectivity Assessment Description:
    In a proteomic selectivity profile assessing HL60 cell nuclear extracts, I-BET151 had no effect on 2 ...

    Potency
    Cellular
    In Vitro

    BRD4

    Mode of Action: Antagonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1038/nature10509

    BRD2

    Mode of Action: Antagonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1038/nature10509

    BRD3

    Mode of Action: Antagonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1038/nature10509

    In Vivo Validations

    Mouse
    Dose: 3 mg/mL
    Route of delivery: Intravenous, oral
    Plasma half life: 1.8 h (IV), 2.6 h (oral)
    Systemic clearance: 8 mL/min/kg (IV)

    DOI Reference: 10.1038/nature10509

    Orthogonal Probes def

    MZP-54

    Chemical Information

    Molecular Formula C23H21N5O3
    SMILEs COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n([C@H](C)c3ccccn3)c12
    InChI InChI=1S/C23H21N5O3/c1-12-21(14(3)31-27-12)16-9-18-15(10-20(16)30-4)22-19(11-25-18)26-23(29)28(22)13(2)17-7-5-6-8-24-17/h5-11,13H,1-4H3,(H,26,29)/t13-/m1/s1
    Molecular weight 415.16 Da
    AlogP 0.0
    HBond acceptors 8
    HBond donors 1
    Atoms 52

    References

    Publications

    Cross References

    canSARChEMBLBindingDBPDB

    Vendors

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    Expert Reviews

    by SERP
    (on 20 May 2016 )
    Cellular Use Rating
    In Model Organisms
    In a single-dose, mouse PK study (IP administration), I-BET-151 showed increased exposure and half-life compared to JQ1.
    by SERP
    (on 20 May 2016 )
    Cellular Use Rating
    Due to the low potency of I-BET151, I would not recommend it as a cellular probe. More potent probes for BRD4 exist (e.g., JQ1 and I-BET762). None of these are selective for BRD4 though; they inhibit...
    by SERP
    (on 27 Apr 2017 )
    Cellular Use Rating
    In Model Organisms
    There are a number of well-characterized tool molecules available for the BRD2/3/4 family, and anyone seeking to use one of these probes is advised to consult the Chemical Probes Portal pages to view...
    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