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DS-1971a | Inhibitor of SCN9A
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
SCN9A
    • IC50:24.5 nM Human; 26.5 nM Mouse
    Inhibitor
    100 - 1000 nM

    Selectivity

    In Cell Selectivity Assessment
    Selectivity Assessment Description:
    <strong>Within Target Family: </strong>Weak inhibitory activity was observed against hNaV1.2 and ...

    Potency
    Cellular
    In Vitro

    SCN9A

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    In Vivo Validations

    Cyno, Dog, Rat, Mouse
    Dose: 1, 3, 10, 100 mg/Kg
    Route of delivery: Oral
    Plasma half life: 3.69 (C), 4.0 (D), 0.77 (R), 4.04 (M) h
    Systemic clearance: 6.55 (C), 8.7 (D), 47 (R), 78.7 (M) mL/min/Kg

    Reference: --

    Orthogonal Probes def

    PF-05089771

    Chemical Information

    Molecular Formula C20H21ClFN5O3S
    SMILEs Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1Cl
    InChI InChI=1S/C20H21ClFN5O3S/c1-27-16(6-9-25-27)13-4-2-3-5-17(13)30-18-11-15(22)19(10-14(18)21)31(28,29)26-20-7-8-23-12-24-20/h6-13,17H,2-5H2,1H3,(H,23,24,26)/t13-,17+/m1/s1
    Molecular weight 465.10 Da
    AlogP 3.9086000000000025
    HBond acceptors 8
    HBond donors 1
    Atoms 52

    References

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    Expert Reviews

    by SERP
    (on 28 Jul 2021)
    Cellular Use Rating
    In Model Organisms
    Good to see some PK/PD relating exposure to efficacy. It has been hypothesised efficacy in mice is driven by greater target residence, leading to free EC50=1.1nM compared to the in vitro mNa1.7 IC50=59.4nM....
    by SERP
    (on 13 Aug 2021)
    Cellular Use Rating
    In Model Organisms
    (The reviewer did not leave any public comments)
    by SERP
    (on 2 Sept 2021)
    Cellular Use Rating
    In Model Organisms
    This compound seems to be very well profiled. Selectivity within target family and also outside. ADME and PK/PD profiled in 4 species. Has been in phase 1 (chronic pain) and phase 2 initiated on diabetic...
    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