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