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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