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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

    Note: This is not an exhaustive list and does not indicate endorsement by the portal.

    Expert Reviews

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