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SMG1i | SMG1i : Inhibitor of SMG1
RATINGS:
Cellular Use: (3 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
SMG1
  • IC50:0.11 nM
  • Inhibition:100%
  • IC50:75 nM
Inhibitor
0.3-1.0 uM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
tested in 25 additional kinases and was found to have IC50 >10 μM across the panel, with the excepti ...
Selectivity Assessment Description:
IC50s mTOR 50 nM, CDK1 32000 mM, CDK2 7100 nM, PI3Ka 92 nM, PI3Kg 60 nM
In Cell Selectivity Assessment
Potency Assay Off-Target:
In MDA 361 cells it shows little effect on phospho p70s6 K and phospho AKT, targets of mTOR and PI3K ...

Potency
Cellular
In Vitro

SMG1

Mode of Action: Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.bmcl.2012.08.107

Negative Control Compounds

CANSAR1854626
Notes: cpd 9h hSMG1 IC50 1100 nM, mTOR IC50 4200 nM

Chemical Information

Molecular Formula C27H28ClN7O3S
SMILEs CCN(CC)S(=O)(=O)c1cc(Nc2nccc(-c3ccnc(-c4ccc(NC(=O)NC)cc4)c3)n2)ccc1Cl
InChI InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
Molecular weight 565.17 Da
AlogP 5.3844
HBond acceptors 10
HBond donors 3
Atoms 67

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

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Expert Reviews

by SERP
(on 6 Nov 2022 )
Cellular Use Rating
The hSMG-1 inhibitor disclosed by Pfizer in the 2012 BMCL publication appears to be a tool compound of reasonable quality. Two concerns remain that need to be taken into account when using this compound....
by SERP
(on 6 Nov 2022 )
Cellular Use Rating
This molecule is a very selective hSMG-1 inhibitor with cellular activity and hence a useful probe.
by SERP+
(on 22 Mar 2023 )
Cellular Use Rating
The compound was only tested against 25 kinases and no in cellulo target engagement assay was performed. The compound needs further profiling. Based on the aminopyrimidine scaffold it is likely to be a...
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