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ART558 | ART558 : Allosteric inhibitor of POLQ
RATINGS:
Cellular Use: (1 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
POLQ
  • IC50:7.9 nM
  • Ki:3.37 - 4.65 nM
  • Activity:3000 nM
  • Activity:135 nM
Allosteric
Up to 3 µM; consider a preliminary dose-finding experiment, if a slightly lower dose is more suitable.
up to 3 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Within target family: Pol α, Pol gamma, Pol η and Pol ν inhibition elicited by ART558 IC50 > 100 nM ...

Potency
Cellular
In Vitro

POLQ

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/s41467-021-23463-8

Negative Control Compounds

(2R,4R)-1-(3-Cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)-4-hydroxy-N-methyl-N-(m-tolyl)pyrrolidine-2-carboxamide
Notes: ARS615 POLQ IC50 > 12000 nM

Chemical Information

Molecular Formula C21H21F3N4O2
SMILEs Cc1cccc(N(C)C(=O)[C@@H]2[C@H](O)CCN2c2nc(C)cc(C(F)(F)F)c2C#N)c1
InChI InChI=1S/C21H21F3N4O2/c1-12-5-4-6-14(9-12)27(3)20(30)18-17(29)7-8-28(18)19-15(11-25)16(21(22,23)24)10-13(2)26-19/h4-6,9-10,17-18,29H,7-8H2,1-3H3/t17-,18+/m1/s1
Molecular weight 418.16 Da
AlogP 0.0
HBond acceptors 6
HBond donors 1
Atoms 51

References

Publications

Cross References

canSARChEMBLBindingDBPDBPubMed

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Expert Reviews

by SERP
(on 12 May 2023 )
Cellular Use Rating
Zatreanu et al. report a first-in-class chemical probe, ART558, that inhibits the DNA polymerase POLQ (theta) involved in MMEJ DNA repair. ART558 meets all relevant criteria for an in vitro chemical probe,...
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