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YKL-01-116 | YKL-01-116 : Covalent inhibitor of CDK7
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
CDK7
  • IC50:7.6 nM
Covalent
up to 5 uM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
KiNativ profiling assay in Jurkat cells @ 1 µM Very selective within CDK family. Off targets detecte ...
In Vitro Selectivity Assessment
Selectivity Assessment Description:

Potency
Cellular
In Vitro

CDK7

Mode of Action: Covalent

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.celrep.2017.09.056

Chemical Information

Molecular Formula C34H38N8O3
SMILEs C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)c3ccccc3)C4(C)C)c2)cc1
InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
Molecular weight 606.31 Da
AlogP 5.593300000000005
HBond acceptors 11
HBond donors 5
Atoms 83

Vendors

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Expert Reviews

by SERP
(on 14 Apr 2023 )
Cellular Use Rating
Potential off-target inhibition of CHK2 may confound interpretation of results.
by SERP+
(on 23 Sept 2024 )
Cellular Use Rating
...
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