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VE-821 | VE-821 : Inhibitor of ATR
RATINGS:
Cellular Use: (3 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
ATR
  • Ki:13 nM
Inhibitor
100 nM - 1 uM

Selectivity

In Vitro Selectivity Assessment

Potency: Ki - ATM 10 uM, DNA-PK 2.2 uM, MTOR >1 uM, PI3Kdelta 3.9 uM

Potency Assay Off-Target:
VE-821 was assessed against 50 kinases.

Potency
Cellular
In Vitro

ATR

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? No

Chemical Information

Molecular Formula C18H16N4O3S
SMILEs CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
Molecular weight 368.09 Da
AlogP 2.3816000000000006
HBond acceptors 7
HBond donors 3
Atoms 42

References

Publications

    Cross References

    GDSC2

    Vendors

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    Expert Reviews

    by SERP
    (on 9 May 2016 )
    Cellular Use Rating
    VE-821 has good selectivity over the 50 or so additional kinases it was screened against. It would be great to have the kinase screening expanded to a significantly larger panel of kinases. There is...
    by SERP
    (on 20 May 2016 )
    Cellular Use Rating
    VE-821 is the first disclosed cell probe against the DNA repair target ATR and offers a useful and characterized tool against this target. Attention is drawn to the apparent disconnect between enzyme...
    by SERP
    (on 31 May 2016 )
    Cellular Use Rating
    The compound has only 10 uM inhibitory activity on growth inhibition in HCT116 cells, despite low double-digit nM target potency. The aminopyrazine core is likely to be a substrate for efflux pumps....
    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