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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
canSAR3154171

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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