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GNE-781 | Inhibitor of CREBBP, EP300
RATINGS:
Cellular Use: (2 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
CREBBP
  • IC 50:0.94 nM
  • IC 50:6.2 nM
  • EC 50:6.6 nM
EP300
  • IC50:1.2 nM
    Inhibitor
    100 nM

    Selectivity

    In Vitro Selectivity Assessment

    Potency: IC50 - 5.2 uM BRD4

    Potency Assay Off-Target:
    BromoScan, CEREP, KinomeScan
    Selectivity Assessment Description:
    BromoScan KD results >10 uM for all except BRD4 (5.3 nM), BRDT (4.9 uM); 5.1 uM BRD4(1) BRET O ...

    Potency
    Cellular
    In Vitro

    CREBBP

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.7b00796

    EP300

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.7b00796

    In Vivo Validations

    Mouse (M), Rat (R), Dog (D), Cyno (C)
    Dose: 1 mg/Kg IV, 5 mg/Kg PO, 5-10-30 mg/Kg PO BID, Reviewer suggested: max 30 mg/Kg
    Route of delivery: Intravenous, Oral
    Plasma half life: 1.4 (M), 3.7 (R), 4.7 (D), 0.72 (C) h
    Systemic clearance: 5.2 (M), 3.8 (R), 4.8 (D), 18 (C) mL/min/Kg

    DOI Reference: 10.1021/acs.jmedchem.7b00796

    Orthogonal Probes def

    I-CBP112
    CPI-637

    Chemical Information

    Molecular Formula C27H33F2N7O2
    SMILEs CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
    InChI InChI=1S/C27H33F2N7O2/c1-30-27(37)34-9-5-23-22(16-34)26(32-36(23)19-6-10-38-11-7-19)35-8-3-4-17-12-20(18-14-31-33(2)15-18)21(25(28)29)13-24(17)35/h12-15,19,25H,3-11,16H2,1-2H3,(H,30,37)
    Molecular weight 525.27 Da
    AlogP 4.3545
    HBond acceptors 9
    HBond donors 1
    Atoms 71
    PAINS * Yes

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

    Vendors

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

    Expert Reviews

    by SERP
    (on 14 Apr 2021 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any comments )
    by SERP
    (on 19 Apr 2021 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any 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