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ML277 | ML277 : Activator of KCNQ1
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
KCNQ1
    • EC50:260 nM
    • Activity:265.9 % MAx
    Activator
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Within target family: Highly selective against other KCNQ channels (>100-fold selectivity versus KCN ...

    Potency
    Cellular
    In Vitro

    KCNQ1

    Mode of Action: Activator

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1016/j.bmcl.2012.07.060

    In Vivo Validations

    In vitro pharmacokinetic assays
    Dose:
    Systemic clearance: 18.0 (human), 64.7 (rat) mL/min/kg
    Fb : 99.4% human, 99.3% rat

    DOI Reference: 10.1016/j.bmcl.2012.07.060

    Chemical Information

    Molecular Formula C23H25N3O4S2
    SMILEs COc1ccc(-c2csc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc(C)cc3)n2)cc1
    InChI InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1
    Molecular weight 471.13 Da
    AlogP 0.0
    HBond acceptors 7
    HBond donors 1
    Atoms 57

    References

    Publications

    Cross References

    canSARChEMBLBindingDBPDB

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    Expert Reviews

    by SERP
    (on 28 Nov 2022 )
    Cellular Use Rating
    Data included in the paper demonstrate high turnover in human and rat microsomes which preclude consideration as in vivo tool. Selectivity data are provided for close family members and a panel of 68 GPCRs,...
    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