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ML252 | ML252 : Inhibitor of KCNQ2
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
KCNQ2
    • IC50:70 nM
    Inhibitor
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    (S)-5 was evaluated on Ricerca Bioscience’s Lead Profiling Screen, which is a radioligand binding as ...

    Potency
    Cellular
    In Vitro

    KCNQ2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1021/jm300700v

    In Vivo Validations

    Rat
    Dose: 10 mg/Kg
    Route of delivery: Intraperitoneal
    Systemic clearance: 67.3 mL/min/Kg
    Cmax: 672 nM (brain)
    Organ of interest (O): Brain:Plasma 1.9

    DOI Reference: 10.1021/jm300700v

    Chemical Information

    Molecular Formula C20H24N2O
    SMILEs CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1
    InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
    Molecular weight 308.19 Da
    AlogP 4.419100000000003
    HBond acceptors 3
    HBond donors 1
    Atoms 47

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    Expert Reviews

    by SERP
    (on 24 Jun 2022 )
    Cellular Use Rating
    In Model Organisms
    The compound has not a clean selectivity profile with regards to the related target KCNQ4. It also has suboptimal in vivo properties with a medium to high clearance and can only be administered ip. A negative...
    by SERP
    (on 9 Jul 2022 )
    Cellular Use Rating
    In Model Organisms
    The selectivity of the compound for KCNQ2 over other KCNQs remains to be optimized.
    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