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MFH290 | MFH290 : Covalent inhibitor of CDK12, CDK13
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
CDK12
  • IC50:25 nM
  • IC50:10.15 nM
CDK13
  • IC50:49 nM
    Covalent
    up to 100 nM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    MFH290 was tested on an extensive enzymatic CDKs panel which included CDKs 1–9, 12–14, and 16. The m ...
    Selectivity Assessment Description:
    CDK1: 1470 nM (Z’-Lyte); CDK2: 120 nM (Z’-Lyte); CDK3: 366 nM (LanthaScreen™ Eu); CDK4: >10000 nM (A ...

    Potency
    Cellular
    In Vitro

    CDK12

    Mode of Action: Covalent

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.9b01929

    CDK13

    Mode of Action: Covalent

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.9b01929

    In Vivo Validations

    Mouse
    Dose: 1 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 0.17 h
    Systemic clearance: 102.03 mL/min/Kg
    Cmax: 1312.89 ng/mL
    Area Under the Curve:: 162.22 h·ng/mL
    Volume of Distribution at Steady-State: 730 mL/kg

    DOI Reference: 10.1021/acs.jmedchem.9b01929

    Dose: 5 mgKg
    Route of delivery: Intraperitoneal
    Plasma half life: 0.15 h
    Cmax: 885.05 ng/mL
    Tmax: 0.08 h
    Area Under the Curve:: 393.63 h*ng/mL
    Bioavailability: 49%

    DOI Reference: 10.1021/acs.jmedchem.9b01929

    Dose: 10 mg/Kg
    Route of delivery: Oral
    Cmax: 556.46 ng/mL
    Tmax: 0.25 h
    Area Under the Curve:: 412.44 h*ng/mL
    Bioavailability: 25%

    DOI Reference: 10.1021/acs.jmedchem.9b01929

    Negative Control Compounds

    CANSAR3329968
    Notes: MFH-2-92-1

    Orthogonal Probes def

    THZ531
    BSJ-4-116

    Chemical Information

    Molecular Formula C26H31N5O3S2
    SMILEs C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1
    InChI InChI=1S/C26H31N5O3S2/c1-5-21(32)29-18-10-8-17(9-11-18)24(33)31-12-6-7-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4/h5,8-11,13-14,19H,1,6-7,12,15-16H2,2-4H3,(H,28,30)(H,29,32)/t19-/m1/s1
    Molecular weight 525.19 Da
    AlogP 0.0
    HBond acceptors 8
    HBond donors 2
    Atoms 67

    References

    Publications

    Cross References

    canSARChEMBLBindingDB

    Vendors

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    Expert Reviews

    by SERP
    (on 22 Feb 2023 )
    Cellular Use Rating
    In Model Organisms
    ( The reviewer did not leave any comments )
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