Chemical Probes logo
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
Download

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

V0G
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