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VVD-214 | VVD-214 : Covalent allosteric inhibitor of WRN
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
WRN
  • IC50:142 nM
  • GI50:66 nM
Allosteric
up to 1 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
No activity on related BLM helicase in helicase DNA unwinding assay
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Targeted mass spectrometry-based chemoproteomics method
Selectivity Assessment Description:
Selectively engagement of C727 on WRN

Potency
Cellular
In Vitro

WRN

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/s41586-024-07318-y

In Vivo Validations

Mouse
Dose: 2.5, 5.0, 10 and 20 mg/Kg
Route of delivery: Oral

DOI Reference: 10.1038/s41586-024-07318-y

Chemical Information

Molecular Formula C20H21F2N3O4S
SMILEs CC(F)(F)c1ncc(C(=O)N[C@H](/C=C/S(C)(=O)=O)C2CC2)c(Oc2ccccc2)n1
InChI InChI=1S/C20H21F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,26)/b11-10+/t16-/m1/s1
Molecular weight 437.12 Da
AlogP 3.447300000000002
HBond acceptors 7
HBond donors 1
Atoms 51

References

Publications

Cross References

Expert Reviews

by SERP
(on 31 Jul 2024 )
Cellular Use Rating
In Model Organisms
The compound contains a somewhat reactive electrophile and gives good target engagement at 1 uM so no need to go higher. It does hit a few cysteines on other proteins according to Extended Figure 1c,...
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