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GSK789 | GSK789 : BD1 selective inhibitor of BRD2, BRD3, BRD4, BRDT
RATINGS:
Cellular Use: (1 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
BRD2
  • IC50:100 nM
  • Kd:20 nM
  • Kd:4 nM
  • IC50:125 nM
  • IC50:390 nM
  • IC50:258 nM
  • IC50:670 nM
  • IC50:20 nM
BRD3
  • IC50:158 nM
  • Kd:16 nM
  • Kd:4 nM
    BRD4
    • IC50:31 nM
    • Kd:20 nM
    • Kd:6.3 nM
      BRDT
      • IC50:630 nM
      • Kd:20 nM
      • Kd:10 nM
        Inhibitor
        up to 10 uM

        Selectivity

        In Vitro Selectivity Assessment
        Selectivity Assessment Description:
        Selectivity within target family - BROMOScan (DiscoverX) (34 tested): selective for the BD1 domain o ...

        Potency
        Cellular
        In Vitro

        BRD2

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? Yes

        DOI Reference: 10.1021/acs.jmedchem.0c00614

        BRD3

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00614

        BRD4

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00614

        BRDT

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00614

        Negative Control Compounds

        GSK791
        Notes: GSK791 BET mutant TR-FRET assay: BRD2 (BD1) pIC50 = 5.6; (BD2) 4.8 BRD3 (BD1) pIC50 = 5.4; (BD2) 4.7 BRD4 (BD1) pIC50 = 5.8; (BD2) 4.5 BRDT (BD1) pIC50 = 5.2; (BD2) 5.1 Clean GPCR scan except for one off-target: GABAA/BZP (Ki = 2539.22 nM)

        Orthogonal Probes def

        GSK778

        Chemical Information

        Molecular Formula C26H33N5O3
        SMILEs Cc1cc2c(-c3ccco3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
        InChI InChI=1S/C26H33N5O3/c1-16-13-18-19(22-9-6-12-34-22)14-27-24(23(18)30-25(16)32)29-21-10-11-31(2)15-20(21)26(33)28-17-7-4-3-5-8-17/h6,9,12-14,17,20-21H,3-5,7-8,10-11,15H2,1-2H3,(H,27,29)(H,28,33)(H,30,32)/t20-,21-/m1/s1
        Molecular weight 463.26 Da
        AlogP 3.672620000000002
        HBond acceptors 8
        HBond donors 3
        Atoms 67

        Expert Reviews

        by SERP+
        (on 23 Sept 2024 )
        Cellular Use Rating
        The probe is a potent inhibitor of BD1 of the BET family. It shows 1000 fold selectivity against BD2, and to date it is the only known probe with this selectivity window. Moreover, control and orthogonal...
        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