Chemical Probes logo
THIQ | THIQ : Agonist of MC4R
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
MC4R
    • IC50:1.2 nM
    • EC50:2.1 nM
    Agonist
    up to 1 uM

    Selectivity

    In Cell Selectivity Assessment
    Selectivity Assessment Description:
    Selectivity within target family: low potency at human MC1R, MC3R and MC5R with IC50s of 2067, 761, ...

    Potency
    Cellular
    In Vitro

    MC4R

    Mode of Action: Agonist

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/jm025539h

    In Vivo Validations

    Rat
    Dose: 1 mg/Kg IV, 10 mg/Kg PO
    Route of delivery: Intravenous, Oral
    Plasma half life: 0.6 h
    Systemic clearance: 84 mM/min/Kg
    Tmax: 1 h
    Bioavailability: 14%
    Volume of Distribution at Steady-State: 3.5 L/Kg

    DOI Reference: 10.1021/jm025539h

    Dog
    Dose: 0.2 mg/Kg IV, 0.5 mg/Kg PO
    Route of delivery: Intravenous, Oral
    Plasma half life: 1.2 h
    Systemic clearance: 27.55 mL/min/Kg
    Tmax: 1.5 h
    Bioavailability: 16%
    Volume of Distribution at Steady-State: 2.79 L/Kg

    DOI Reference: 10.1021/jm025539h

    Chemical Information

    Molecular Formula C33H41ClN6O2
    SMILEs O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1
    InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
    Molecular weight 588.30 Da
    AlogP 4.5626
    HBond acceptors 8
    HBond donors 2
    Atoms 83

    Vendors

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

    Expert Reviews

    by SERP
    (on 12 Nov 2022 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any comments )
    by SERP+
    (on 14 Oct 2025 )
    Cellular Use Rating
    In Model Organisms
    This compound shows a good selectivity within MC4R family and is accompanied by a suitable inactive control compound. Selectivity has been assessed in a small panel of off-targets. It shows a clear dose-dependent...
    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