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GSK046 | GSK046 : BD2 selective inhibitor of BRD2, BRD3, BRD4, BRDT
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
  • IC50:264 nM
  • IC50:250 nM
  • Kd:35 nM
    BRD3
    • IC50:98 nM
    • IC50:100 nM
    • Kd:32 nM
      BRD4
      • IC50:49 nM
      • IC50:50 nM
      • Kd:9 nM
      • Kd:30 nM
      • IC50:315 nM
      • IC50:31 nM
      BRDT
      • IC50:214 nM
      • IC50:200 nM
      • Kd:15 nM
        Inhibitor
        up to 10 uM

        Selectivity

        In Vitro Selectivity Assessment
        Selectivity Assessment Description:
        Selectivity within target family - BROMOScan (DiscoverX) (40 tested): clean. Selectivity outside tar ...

        Potency
        Cellular
        In Vitro

        BRD2

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        BRD3

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        BRD4

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        BRDT

        Mode of Action: Inhibitor

        Structure-Activity-Relationship data available? No

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        In Vivo Validations

        Rat
        Dose: 1 mg/Kg
        Route of delivery: Intravenous
        Plasma half life: 0.5 h
        Systemic clearance: 36 mL/min/kg
        Fb : 99.56%
        Volume of Distribution at Steady-State: 0.91 L/Kg

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        Dose: 3 mg/Kg
        Route of delivery: Oral
        Bioavailability: 31%

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        Dog
        Dose: 0.5 mg/Kg
        Route of delivery: Intravenous
        Plasma half life: 0.7 h
        Systemic clearance: 20 mL/min/kg
        Fb : 99.67%
        Volume of Distribution at Steady-State: 0.91 L/Kg

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        Dose: 1 mg/Kg
        Route of delivery: Oral
        Bioavailability: 66%

        DOI Reference: 10.1021/acs.jmedchem.0c00605

        Orthogonal Probes def

        GSK973
        GSK620
        ABBV-744

        Chemical Information

        Molecular Formula C23H27FN2O4
        SMILEs CC(=O)Nc1c(F)cc(C(=O)N[C@H]2CC[C@H](O)CC2)cc1O[C@@H](C)c1ccccc1
        InChI InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1
        Molecular weight 414.20 Da
        AlogP 3.9574000000000034
        HBond acceptors 6
        HBond donors 3
        Atoms 57

        Vendors

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

        Expert Reviews

        by SERP
        (on 15 Feb 2022 )
        Cellular Use Rating
        In Model Organisms
        GSK046 represents a valuable probe for the target family, with clean inhibition profile across a range of related and unrelated protein families. GSK046 is also suitable for in vivo studies, however given...
        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