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THZ531 | Covalent Inhibitor of CDK12, CDK13
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
CDK12
  • IC 50:158 nM
  • IC 50:50 nM
CDK13
  • IC 50:69 nM
  • IC 50:50 nM
Covalent Inhibitor
50-500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC 50 - 8500 nM CDK7, 10500 nM CDK9

Selectivity Assessment Description:
Ambit profiling indicated that CDK13 was among the top scoring kinases. KiNativ profiling confirmed ...

Potency
Cellular
In Vitro

CDK12

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/nchembio.2166

CDK13

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/nchembio.2166

Negative Control Compounds

THZ531R
THZ532

Chemical Information

Molecular Formula C30H32ClN7O2
SMILEs CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
InChI InChI=1S/C30H32ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,6,8-14,17-18,22,32H,5,7,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/b10-6+/t22-/m1/s1
Molecular weight 557.23 Da
AlogP 5.0513
HBond acceptors 9
HBond donors 3
Atoms 72

Vendors

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Expert Reviews

by SERP
(on 10 Nov 2020 )
Cellular Use Rating
THZ531 is a high quality irreversible cysteine-reactive covalent acrylamide inhibitor of CDK12 and CD13 with high selectivity over other human protein kinases. Several lines of evidence, including mass...
by SERP
(on 7 Jan 2021 )
Cellular Use Rating
( The reviewer did not leave any comments )
by SERP
(on 26 Feb 2021 )
Cellular Use Rating
The probe is well characterised, and shows selective activity at CDK12/13 in Jurkat cells, as seen in Kinativ profiling. In particular, good selectivity over other CDK family is observed. However,...
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