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SHR1653 | SHR1653 : Antagonist of OXTR
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
OXTR
    • IC50:15 nM
    Antagonist
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    SHR1653 exhibited excellent selectivity over V1AR, V1BR, and V2R.

    Potency
    Cellular
    In Vitro

    OXTR

    Mode of Action: Antagonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    In Vivo Validations

    Rat
    Dose: 2 mg/Kg
    Route of delivery: Oral
    Plasma half life: 3.98 h
    Cmax: 350 ng/mL
    Area Under the Curve:: 1683 ng/mL·h

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Systemic clearance: 16.1 mL/min/kg

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dose: 30 mg/Kg
    Route of delivery: Oral
    Plasma half life: 2.23 h
    Cmax: 3305 ng/mL
    Tmax: 0.63 h
    Area Under the Curve:: 16076 ng/mL·h

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Mouse
    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Systemic clearance: 31.3 mL/min/Kg

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dose: 4 mg/Kg
    Route of delivery: Oral
    Plasma half life: 1.9 h
    Cmax: 330 ng/mL
    Tmax: 0.5 h
    Area Under the Curve:: 548 ng/mL·h

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dog
    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Systemic clearance: 7.2 mL/min/Kg

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dose: 2 mg/Kg
    Route of delivery: Oral
    Plasma half life: 4.64 h
    Cmax: 930 ng/mL
    Tmax: 0.75 h
    Area Under the Curve:: 3833 ng/mL·h

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Dose: 20 mg/Kg
    Route of delivery: Oral
    Plasma half life: 3.38 h
    Cmax: 13470 ng/mL
    Tmax: 0.88 h
    Area Under the Curve:: 58695 ng/mL·h

    DOI Reference: 10.1021/acsmedchemlett.9b00186

    Chemical Information

    Molecular Formula C21H21ClFN5O2
    SMILEs COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1
    InChI InChI=1S/C21H21ClFN5O2/c1-29-11-18-25-26-20(28(18)15-4-6-19(30-2)24-9-15)27-10-13-8-21(13,12-27)16-5-3-14(23)7-17(16)22/h3-7,9,13H,8,10-12H2,1-2H3/t13-,21-/m0/s1
    Molecular weight 429.14 Da
    AlogP 3.3877000000000024
    HBond acceptors 7
    HBond donors --
    Atoms 51

    References

    Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

    Note: This is not an exhaustive list and does not indicate endorsement by the portal.

    Expert Reviews

    No SERP comments found for SHR1653

    Probe SHR1653 is in the process of SERP review.

    Please continue to check back for new reviews and commentary.