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MS436 | Inhibitor of BRD4, BRD3
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Names: MS436, NUD, canSAR1860952, MS-436; cpd27

Targets Biochemical/Biophysical Potency Cellular Potency
BRD4
  • Ki:85 nM BD1; 340 nM BD2
  • IC 50:3800 nM
  • IC 50:4900 nM
BRD3
  • Ki:100 nM BD1; 140 nM BD2
    Inhibitor
    up to 10 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    in vitro fluorescent anisotropy binding assay
    Selectivity Assessment Description:
    Selectivity against a panel of Bromodomains (Ki - uM): BRD4-BD2 0.34, BRD3-BD1 0.10, BRD3-BD2 0.14 ...

    Potency
    Cellular
    In Vitro

    BRD4

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/jm401334s

    BRD3

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/jm401334s

    Orthogonal Probes def

    MZ1
    dBET6
    AT1

    Chemical Information

    Molecular Formula C18H17N5O3S
    SMILEs Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)cc1O
    InChI InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+
    Molecular weight 383.11 Da
    AlogP 3.8940200000000016
    HBond acceptors 8
    HBond donors 4
    Atoms 44
    PAINS * Yes

    * This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

    References

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    Expert Reviews

    by SERP+
    (on 23 Sept 2024 )
    Cellular Use Rating
    This is an early probe with limited selectivity over the BD2 domain. Probes with better selectivity and cellular activity are available (GSK789, GSK778). No negative control is available. Little cytotoxicity...
    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