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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 public 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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