Chemical Probes logo
Tofacitinib | Inhibitor of JAK1, JAK2, JAK3
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
JAK1
  • IC50:112 nM
  • IC50:11 nM
JAK2
  • IC50:20 nM
  • IC50:324 nM
JAK3
  • IC50:1 nM
    Inhibitor
    Up to 120 nM

    Selectivity

    In Vitro Selectivity Assessment
    Selectivity Assessment Description:
    IC50 > 3,000 for 30 additional kinases. 317 kinase selectivity panel is also available DOI: 10.1038/ ...

    Potency
    Cellular
    In Vitro

    JAK1

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1126/science.1087061

    JAK2

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1126/science.1087061

    JAK3

    Mode of Action: Inhibitor

    Structure-Activity-Relationship data available? No

    DOI Reference: 10.1126/science.1087061

    Chemical Information

    Molecular Formula C16H20N6O
    SMILEs C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
    InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
    Molecular weight 312.17 Da
    AlogP 1.5447799999999996
    HBond acceptors 7
    HBond donors 1
    Atoms 43

    References

    Publications

    Cross References

    Expert Reviews

    by SERP
    (on 22 May 2016 )
    Cellular Use Rating
    There is convincing evidence demonstrating direct target engagement of JAK1, JAK2, JAK3 and TYK2 by tofacitinib in vitro using X-ray crystallography (i.e., PMIDs 20478313, 19361440). Based on the reported...
    by SERP
    (on 31 May 2016 )
    Cellular Use Rating
    In Model Organisms
    In human primary cell types, tofacitinib is active and non-cytotoxic from 14 nM to 90 uM. Between 14-120 nM, it is active in human primary cell-based assays that are JAK3/JAK1 dependent. At 370 nM and...
    by SERP
    (on 23 Aug 2016 )
    Cellular Use Rating
    In Model Organisms
    This probe will always inhibit both JAK1 and JAK3 at any in vitro and in vivo dose explored. At higher doses, it will inhibit JAK2 , and at even higher doses, it inhibits TYK2. Care in data interpretation...

    Portal Comments

    In 2008, Tofacitinib was screened in a paned of 317 Kinases (see DOI: 10.1038/nbt1358), recently, this information was added to the selectivity profile of Tofacitinib by the Chemical Probes team.

    (last updated: 15 Jul 2022)

    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria