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NMS-873 | NMS-873 : Allosteric inhibitor of VCP
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
VCP
  • IC50:30 nM low ATP; 20 nM high ATP; 20 nM C522T
  • IC50:400 nM
  • IC50:700 nM
Allosteric
Up to 5 uM

Selectivity

In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selective (IC50&nbsp;&gt;10 μM) against all of the AAA ATPases <p> <strong>Outside target fa ...

Potency
Cellular
In Vitro

VCP

Mode of Action: Allosteric

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1038/nchembio.1313

Orthogonal Probes def

CB-5083
LC-1028

Chemical Information

Molecular Formula C27H28N4O3S2
SMILEs Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(S(C)(=O)=O)cc1
InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
Molecular weight 520.16 Da
AlogP 5.65492
HBond acceptors 7
HBond donors --
Atoms 64

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 19 Sept 2021)
Cellular Use Rating
Limited selectivity data (AAA ATPase, HSP90 and 53 kinases) and no wide ligand profiling data. The high lipophilicity of the compound is a concern regarding off-target selectivity. No data regarding...
by SERP
(on 28 Sept 2021)
Cellular Use Rating
In vitro selectivity data within the target family (all AAA ATPases) and limited selectivity outside the target family (HSP90 and 53 kinases) are presented. However, an in-cell target engagement study...
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