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VERUBECESTAT | VERUBECESTAT : Inhibitor of BACE1, BACE2
RATINGS:
Cellular Use: (0 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
BACE1
  • Ki:2.2 nM
  • IC50:2.1 nM
BACE2
  • Ki:0.38 nM
    Inhibitor
    up to 100 nM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Selective against CatD (Ki ≫100,000 nM), CatE (Ki ≫100,000 nM), pepsin (Ki ≫100,000 nM), renin (Ki 3 ...

    Potency
    Cellular
    In Vitro

    BACE1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    BACE2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    In Vivo Validations

    Rat
    Dose: 3 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 1.9 h
    Systemic clearance: 46 mL/min/Kg
    Volume of Distribution at Steady-State: 5.4 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Dose: 3 mg/Kg
    Route of delivery: Oral
    Cmax: 0.27 uM
    Area Under the Curve:: 1.1 uM*h
    Bioavailability: 45%

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Monkey (Cynomolgus)
    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 4.9 h
    Systemic clearance: 21 mL/min/Kg
    Volume of Distribution at Steady-State: 7.5 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Dose: 3 mg/Kg
    Route of delivery: Oral
    Cmax: 0.60 uM
    Area Under the Curve:: 5.7 uM*h
    Bioavailability: 95%

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Dog
    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 9.7 h
    Systemic clearance: 4.3 mL/min/Kg
    Volume of Distribution at Steady-State: 2.7 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Dose: 3 mg/Kg
    Route of delivery: Oral
    Cmax: 1.6 uM
    Area Under the Curve:: 42 uM*h
    Bioavailability: 100%

    DOI Reference: 10.1021/acs.jmedchem.6b00307

    Chemical Information

    Molecular Formula C17H17F2N5O3S
    SMILEs CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O
    InChI InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1
    Molecular weight 409.10 Da
    AlogP 1.6268700000000005
    HBond acceptors 8
    HBond donors 3
    Atoms 45

    References

    Publications

    Cross References

    Expert Reviews

    No SERP comments found for VERUBECESTAT

    Probe VERUBECESTAT is in the process of SERP review.

    Please continue to check back for new reviews and commentary.