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THZ1 | Covalent Inhibitor of CDK7
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (3 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
  • Kd:3.2 nM
  • IC50:~20 nM
  • IC50:55 nM
  • IC50:0.50 nM
Covalent Inhibitor
10 nM - 1 uM

Selectivity

In Cell Selectivity Assessment
Potency Assay Off-Target:
KiNativ profiling against 246 kinases in Loucy cells was performed showing >75% inhibition at 1 uM o ...

Potency
Cellular
In Vitro

CDK7

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? No

DOI Reference: 10.1038/nature13393

Negative Control Compounds

THZ1-R
Notes: THZ1-R is a non-cysteine reactive analogue of THZ1, which displays diminished activity for CDK7 inhibition (IC50 146 nM and in Cell IC50 2008 nM)

Chemical Information

Molecular Formula C31H28ClN7O2
SMILEs CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1
InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
Molecular weight 565.20 Da
AlogP 6.3305
HBond acceptors 9
HBond donors 4
Atoms 69

References

Publications

Cross References

canSARChEMBLBindingDB

Vendors

Note: This is not an exhaustive list and does not indicate endorsement by the portal.

Expert Reviews

by SERP
(on 20 May 2016)
Cellular Use Rating
In Model Organisms
...
by SERP
(on 31 May 2016)
Cellular Use Rating
In Model Organisms
THZ1 is a useful first-generation probe for assessing CDK7 (with some activity towards CDK12/13) in cells and in mice. For in vivo use, THZ1 has some challenges due to poor solubility and limited stability....
by SERP
(on 6 Sept 2016)
Cellular Use Rating
In Model Organisms
THZ-1 is a useful first-generation probe for cellular studies involving CDK7. Although not perfectly selective (~ 8 other kinases are inhibited at 1 uM in the Kinativ analysis covering about half of the...
THZ-1 is a useful first-generation probe for cellular studies involving CDK7. Although not perfectly selective (~ 8 other kinases are inhibited at 1 uM in the Kinativ analysis covering about half of the...

Portal Comments

In 2019, Browne M. et al employed a chemoproteomic approach (CITe-Id), revealing the dose-dependent competitive binding of THZ1 to eight protein targets, at concentration exceeding 350 nM. Among the established...

(last updated: 21 Nov 2023)

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