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CTX-439 | CTX-439 : Inhibitor of CDK12, CDK13
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

Targets Biochemical/Biophysical Potency Cellular Potency
CDK12
  • Kd:0.38 nM
  • IC50:17 nM
  • EC50:44 nM
  • IC50:9.6 nM
  • GI50:92 nM
CDK13
  • Kd:3.2 nM
    up to 100 nM

    Selectivity

    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    The selectivity of CTX-439 within the CDK family was assessed using KdELECT assays at Eurofins Disco ...
    Selectivity Assessment Description:
    CTX-439 displayed exceptional selectivity over other CDKs, including CDK2 (Kd = 320 nM) and CDK9 (Kd ...
    In Vitro Selectivity Assessment
    Potency Assay Off-Target:
    CTX-439 was tested against a panel of 468 kinases at a single concentration of 30 nM (KinomeScan; Eu ...
    Selectivity Assessment Description:
    Only 7 kinases, excluding CDK13, exhibited more than 65% inhibition. CDK12 was not included in the p ...

    Potency
    Cellular
    In Vitro

    CDK12

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acsmedchemlett.6c00138

    CDK13

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1021/acsmedchemlett.6c00138

    In Vivo Validations

    Mouse
    Dose: Mouse Cassette PK
    Route of delivery: Oral
    Systemic clearance: 682 mL/h/kg
    Area Under the Curve:: 552.5 ng*h/mL
    Bioavailability: 37%

    DOI Reference: 10.1021/acsmedchemlett.6c00138

    Chemical Information

    Molecular Formula C30H32F3N9O4S
    SMILEs CCCC(=O)N(c1cnc(-c2cnc(OC)nc2)cn1)[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(-c3cncc(S(C)(=O)=O)c3)n2)CC1
    InChI InChI=1S/C30H32F3N9O4S/c1-4-5-26(43)42(25-17-35-24(16-36-25)19-12-38-29(46-2)39-13-19)21-8-6-20(7-9-21)40-28-37-15-23(30(31,32)33)27(41-28)18-10-22(14-34-11-18)47(3,44)45/h10-17,20-21H,4-9H2,1-3H3,(H,37,40,41)/t20-,21+
    Molecular weight 671.23 Da
    AlogP 4.7729000000000035
    HBond acceptors 13
    HBond donors 1
    Atoms 79

    Expert Reviews

    No SERP comments found for CTX-439

    Probe CTX-439 is in the process of SERP review.

    Please continue to check back for new reviews and commentary.

    If you would like to explore AI-generated evaluations, you may wish to visit the page for this compound on our collaborator website