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MSC2530818 | MSC2530818 : Inhibitor of CDK8, CDK19
RATINGS:
Cellular Use: (0 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

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Targets Biochemical/Biophysical Potency Cellular Potency
CDK8
  • IC50:2.6 ± 0.1 nM
  • IC50:8 ± 2 nM
  • IC50:32 ± 7 nM
  • IC50:9 ± 1 nM
  • IC50:52 ± 30 nM
  • IC50:5.3 ± 2
CDK19
  • IC50:4 nM
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Minimal activity in the CEREP panel, being active on the dopamine transporter (IC50 = 8.5 μM) as the ...
    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    Testing against a 264 kinase panel gave inhibition of only a single kinase by more than 50% at 1 μM ...

    Potency
    Cellular
    In Vitro

    CDK8

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00597

    CDK19

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acs.jmedchem.6b00597

    In Vivo Validations

    Mouse
    Dose: 0.2 mg/Kg IV, 0.5 mg/Kg PO
    Route of delivery: Intravenous, Oral
    Plasma half life: 0.45 h
    Systemic clearance: 1.37 L/h/kg
    Fb : 87%
    Bioavailability: 25%
    Volume of Distribution at Steady-State: 0.59 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00597

    Rat
    Dose: 0.2 mg/Kg IV, 0.5 mg/Kg PO
    Route of delivery: Intravenous, Oral
    Plasma half life: 0.86 h
    Systemic clearance: 1.50 L/h/Kg
    Fb : 81%
    Bioavailability: 66%
    Volume of Distribution at Steady-State: 1.62 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00597

    Dog
    Dose: 0.2 mg/Kg IV, 0.5 mg/Kg PO
    Route of delivery: Intravenous, Oral
    Plasma half life: 0.83 h
    Systemic clearance: 1.35 L/h/Kg
    Fb : 50%
    Bioavailability: 39%
    Volume of Distribution at Steady-State: 1.47 L/Kg

    DOI Reference: 10.1021/acs.jmedchem.6b00597

    Negative Control Compounds

    MSC2530819
    Notes: CDK8 IC50 590 nM in biochemical assay
    SMILES: CC1=C2C=C(C=NC2=NN1)C(=O)N1CCC[C@@H]1C1=CC=C(Cl)C=C1

    Chemical Information

    Molecular Formula C18H17ClN4O
    SMILEs Cc1n[nH]c2ncc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
    InChI InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
    Molecular weight 340.11 Da
    AlogP 3.897020000000002
    HBond acceptors 5
    HBond donors 1
    Atoms 41

    Vendors

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    Expert Reviews

    No SERP comments found for MSC2530818

    Probe MSC2530818 is in the process of SERP review.

    Please continue to check back for new reviews and commentary.

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