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SIMUROSERTIB | SIMUROSERTIB : ATP competitive inhibitor of CDC7
RATINGS:
Cellular Use: (1 reviews)

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

Targets Biochemical/Biophysical Potency Cellular Potency
CDC7
  • IC50:<0.3 nM
  • Kd:0.42 nM
  • IC50:~50 nM
  • GI50:85 nM
  • Activity:300 nM
ATP competitive
300 nM, up to 1 uM, time dependent

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Kinase selectivity assays demonstrated high selectivity of TAK-931 against CDC7 @ 1 uM, which was >1 ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
phosphorylation of Pol II at Ser 2 indicating inhibition of CDK9; no inhibition was observed up to 1 ...

Potency
Cellular
In Vitro

CDC7

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1126/sciadv.aav3660

Chemical Information

Molecular Formula C17H19N5OS
SMILEs Cc1n[nH]cc1-c1cc2nc([C@@H]3CC4CCN3CC4)[nH]c(=O)c2s1
InChI InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
Molecular weight 341.13 Da
AlogP 2.839920000000001
HBond acceptors 6
HBond donors 2
Atoms 43

References

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Cross References

Expert Reviews

by SERP
(on 20 Feb 2025 )
Cellular Use Rating
Given the selectivity profile of SIMUROSERTIB in all assays (biological, cell-based, and cell proliferation), this compound is highly recommended. Moreover, SIMUROSERTIB has a great profile in inhibiting...
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