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