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TTBK1-IN-1 | Details for TTBK1-IN-1 : Inhibitor of TTBK1
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 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
TTBK1
  • IC50:2.7 nM
  • IC50:315 nM
TTBK2
  • IC50:1.6 nM
    Inhibitor
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    KinomeSCAN (DiscoverX kinome panel (468 kinases)) was performed at 100 and 1000 nM. TTBK1-IN-1 was t ...

    Potency
    Cellular
    In Vitro

    TTBK1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.1c00382

    TTBK2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.1c00382

    In Vivo Validations

    Rat
    Dose: up to 80 mg/Kg
    Route of delivery: Intraperitoneal
    Plasma half life: 3.6 h
    Systemic clearance: 62 mL/min/kg
    Volume of Distribution at Steady-State: 4870 mL/kg

    DOI Reference: 10.1021/acs.jmedchem.1c00382

    Mouse
    Dose: 2.5, 7, 20, 60, and 180 mg/kg
    Route of delivery: Intraperitoneal
    Plasma half life: 0.1 h
    Systemic clearance: 67 mL/min/kg
    Volume of Distribution at Steady-State: 474 mL/kg

    DOI Reference: 10.1021/acs.jmedchem.1c00382

    Chemical Information

    Molecular Formula C18H19N5O2
    SMILEs CC[C@](C)(O)C#Cc1cc2c(ccn2-c2cc(OC)nc(N)n2)cn1
    InChI InChI=1S/C18H19N5O2/c1-4-18(2,24)7-5-13-9-14-12(11-20-13)6-8-23(14)15-10-16(25-3)22-17(19)21-15/h6,8-11,24H,4H2,1-3H3,(H2,19,21,22)/t18-/m0/s1
    Molecular weight 337.15 Da
    AlogP 0.0
    HBond acceptors 7
    HBond donors 3
    Atoms 44

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    Expert Reviews

    by SERP
    (on 23 Oct 2023)
    Cellular Use Rating
    In Model Organisms
    As the PK data is incomplete, the in vivo rating is only 3 stars.
    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