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Defactinib | Inhibitor of PTK2, PTK2B
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
PTK2
  • IC50:0.2 nM
  • IC50:3 nM
PTK2B
  • IC50:0.2 nM
    Inhibitor
    100 nM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    Selectivity within target family: Profiling against an Invitrogen panel at 10 µM and 1 µM: Strongest ...

    Potency
    Cellular
    In Vitro

    PTK2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1093/jnci/djt210

    PTK2B

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1093/jnci/djt210

    In Vivo Validations

    Rat
    Dose: 12.5-50 mg/Kg
    Route of delivery: Intraperitoneal
    Plasma half life: 1.0 h
    Systemic clearance: 85 mL/min/kg
    Fb : 99.72%
    Volume of Distribution at Steady-State: 5.0 L/kg

    DOI Reference: 10.1093/jnci/djt210

    Dog
    Dose: 12.5-50 mg/Kg
    Route of delivery: Intraperitoneal
    Plasma half life: 2.0 h
    Systemic clearance: 12 mL/min/kg
    Fb : 99.88%
    Volume of Distribution at Steady-State: 2.0 L/Kg

    DOI Reference: 10.1093/jnci/djt210

    Negative Control Compounds

    PF-00911705
    Notes: PF-00911705 - Binding IC50 = 721 nM; Two hits in the GPCR scan: GABA/PBR (Ki = 1479.11 nM) and TMEM97 (Ki = 2123.24 nM).

    Chemical Information

    Molecular Formula C20H21F3N8O3S
    SMILEs CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1
    InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
    Molecular weight 510.14 Da
    AlogP 0.0
    HBond acceptors 11
    HBond donors 3
    Atoms 56

    Vendors

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    Expert Reviews

    by SERP
    (on 23 Apr 2022 )
    Cellular Use Rating
    In Model Organisms
    Please keep in mind that other kinases will be inhibited along with FAK. No kinome-wide cellular profiling has been done for this compound, however, based on the biochemical and cell free profiling, one...
    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