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SAREDUTANT | SAREDUTANT : Antagonist of TACR2
RATINGS:
Cellular Use: (0 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
TACR2
    • Ki:0.51 nM
    Antagonist
    100 nM, up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    Selective against NK1 and NK3 receptors with KI > 5000 nM

    Potency
    Cellular
    In Vitro

    TACR2

    Mode of Action: Antagonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1016/0024-3205(92)90352-p

    In Vivo Validations

    Guinea Pig
    Dose:
    Route of delivery: Intravenous
    Target engagement assay: ID50 37 ug/Kg

    DOI Reference: 10.1016/0024-3205(92)90352-p

    Dose:
    Route of delivery: Intraduodenal

    DOI Reference: 10.1016/0024-3205(92)90352-p

    Negative Control Compounds

    CANSAR3550576
    Notes: (R) enantiomer Ki 945 nM

    Chemical Information

    Molecular Formula C31H35Cl2N3O2
    SMILEs CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
    InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
    Molecular weight 551.21 Da
    AlogP 6.3667
    HBond acceptors 5
    HBond donors 1
    Atoms 73

    References

    Publications

    Cross References

    canSARChEMBLBindingDB

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    Expert Reviews

    No SERP comments found for SAREDUTANT

    Probe SAREDUTANT is in the process of SERP review.

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