Chemical Probes logo
M5049 | M5049 : Inhibitor of TLR7, TLR8
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
TLR7
    • IC50:11.1 nM
    • IC50:68.3 nM
    TLR8
    • IC50:24.1 nM
    • IC50:620 nM
    Inhibitor
    up to 10 uM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    Within Target Family - Tested in Reaction Biology 389 kinase panel: Kinases inhibited >50% at 1 µMa ...

    Potency
    Cellular
    In Vitro

    TLR7

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1124/jpet.120.000275

    TLR8

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1124/jpet.120.000275

    In Vivo Validations

    Mouse
    Dose: 1 mg/Kg
    Route of delivery: IV, PO, IP
    Plasma half life: 1.4 h
    Systemic clearance: 1.4 L/h/Kg
    Cmax: 180 ng/mL
    Area Under the Curve:: 830 ng*h/mL
    Bioavailability: 100%
    Volume of Distribution at Steady-State: 2.7 L/Kg

    DOI Reference: 10.1124/jpet.120.000275

    Rat
    Dose: 1 mg/Kg
    Route of delivery: IV, PO
    Plasma half life: 5.0 h
    Systemic clearance: 1.2 L/h/Kg
    Cmax: 85 ng/mL
    Area Under the Curve:: 670 ng*h/mL
    Bioavailability: 87%
    Volume of Distribution at Steady-State: 8.7 L/Kg

    DOI Reference: 10.1124/jpet.120.000275

    Dog
    Dose: 1 mg/Kg
    Route of delivery: IV, PO
    Plasma half life: 13 h
    Systemic clearance: 0.59 L/h/Kg
    Cmax: 90 ng/mL
    Area Under the Curve:: 1400 ng*h/mL
    Bioavailability: 84%
    Volume of Distribution at Steady-State: 5.7 L/Kg

    DOI Reference: 10.1124/jpet.120.000275

    Chemical Information

    Molecular Formula C16H15F3N4
    SMILEs N#Cc1ccc(N2C[C@@H](C(F)(F)F)C[C@@H](N)C2)c2cccnc12
    InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
    Molecular weight 320.12 Da
    AlogP 0.0
    HBond acceptors 4
    HBond donors 2
    Atoms 38

    References

    Publications

    Cross References

    canSARChEMBLPDBPubMed

    Vendors

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

    Expert Reviews

    No SERP comments found for M5049

    Probe M5049 is in the process of SERP review.

    Please continue to check back for new reviews and commentary.