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DDR-TRK-1 | DDR-TRK-1 : Inhibitor of DDR1, DDR2, NTRK1, NTRK2, NTRK3
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
DDR1
  • IC50:9.4 ± 1.7 nM
  • Kd:4.7 ± 0.8 nM
  • IC50:27 nM
  • IC50:104 nM
DDR2
  • IC50:4.5 nM
  • IC50:188 ± 23 nM
  • IC50:175 nM
NTRK1
  • IC50:43 nM
  • Kd:100 ± 17.5 nM
  • IC50:448 nM
NTRK2
  • IC50:3.6 nM
  • Kd:22 ± 0.5 nM
  • IC50:14.2 nM
NTRK3
  • IC50:2.9 nM
  • Kd:18 ± 1.5 nM
    Inhibitor
    5 µM; use with selective TRK inhibitor to dissect phenotype

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    DDR-TRK-1 is selective in KINOMEscan® at 1μM. The closest off target is CDK11 (370 nM), which was ho ...

    Potency
    Cellular
    In Vitro

    DDR1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    DDR2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    NTRK1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    NTRK2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    NTRK3

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    In Vivo Validations

    Mouse
    Dose: 4 mg/Kg
    Route of delivery: Oral
    Plasma half life: 1.1 h
    Cmax: 2133.9 ng/mL
    Tmax: 0.5 h
    Area Under the Curve:: 2554.1 ng/mL·h
    Bioavailability: 41.6%

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 0.2 h
    Systemic clearance: 0.8 L/h/Kg
    Cmax: 2246.8 ng/mL
    Area Under the Curve:: 1211.9 ng/mL*h

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    Rat
    Dose: 20 mg/Kg
    Route of delivery: Oral
    Plasma half life: 1.3 h
    Cmax: 341.7 ± 115.5 ng/mL
    Tmax: 1 h
    Area Under the Curve:: 788.3 ± 41.5 ng/mL·h
    Bioavailability: 66.8%

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    Dose: 4 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 1.5 ± 0.3 h
    Systemic clearance: 17.6 ± 4.4 L/h/Kg
    Cmax: 473.3 ± 114.7 ng/mL
    Area Under the Curve:: 236.0 ± 53.1 ng/mL·h

    DOI Reference: 10.1021/acs.jmedchem.6b00140

    Negative Control Compounds

    CANSAR3203052

    Chemical Information

    Molecular Formula C26H23F3N6O
    SMILEs Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)CN(c3cncnc3)C[C@@H]4C)cc(C(F)(F)F)c2)cn1
    InChI InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
    Molecular weight 492.19 Da
    AlogP 5.365520000000004
    HBond acceptors 7
    HBond donors 1
    Atoms 59

    Expert Reviews

    by SERP
    (on 5 Jun 2023 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any comments )
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