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BAY-390 | BAY-390 : Inhibitor of TRPA1
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
TRPA1
    • IC50:16 nM
    • IC50:82 nM
    Inhibitor
    100 nM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    Selectivity within target family - Selectivity against family members was tested, all > 30 fold: hTR ...

    Potency
    Cellular
    In Vitro

    TRPA1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.2c01830

    In Vivo Validations

    Rat
    Dose: 30-90 mg/Kg
    Route of delivery: Oral

    DOI Reference: 10.1021/acs.jmedchem.2c01830

    Negative Control Compounds

    BAY-9897
    Notes: BAY-9897: FLIPR Ca2+ assay (CHO or HEK cells): human TRPA1 IC50 > 25 µM Clean GPCR scan with one weak exception: HRH2 Ki = 9781.38 nM

    Orthogonal Probes def

    A-079

    Chemical Information

    Molecular Formula C13H15F4NO
    SMILEs O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cc1
    InChI InChI=1S/C13H15F4NO/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-12(11,19)13(15,16)17/h4-7,11,18-19H,1-3,8H2/t11-,12-/m1/s1
    Molecular weight 277.11 Da
    AlogP 3.473600000000002
    HBond acceptors 2
    HBond donors 2
    Atoms 34

    Expert Reviews

    by SERP
    (on 23 Mar 2022)
    Cellular Use Rating
    In Model Organisms
    (The reviewer did not leave any public comments)
    by SERP
    (on 14 Apr 2022)
    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