Chemical Probes logo
YKL-5-124 | YKL-5-124 : Covalent Inhibitor of CDK7
RATINGS:
Cellular Use: (3 reviews)

In Model Organisms: (0 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
CDK7
  • IC50:9.7 nM
  • IC50:53.3 nM
  • Ki:2.2 nM
  • IC50:<62.5 nM
Covalent Inhibitor
up to 100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
CDK12: IC50 > 10 µM (Geyer, P32 biochemical assay), CDK13: IC50 > 10 µM (Geyer, P32 biochemical assa ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
YKL-5-124 selectivity was assessed by KiNativ profiling in Jurkat cells @ 1 µM: CDK7 is the only tar ...

Potency
Cellular
In Vitro

CDK7

Mode of Action: Covalent Inhibitor

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1016/j.chembiol.2019.02.012

Negative Control Compounds

N-[(1S)-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)benzoyl]amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
Notes: YKL-5-167 demonstrated little or no inhibition of RNA Pol II phosphorylation in cells at 10 μM

Orthogonal Probes def

THZ1
THZ531

Chemical Information

Molecular Formula C28H33N7O3
SMILEs C=CC(=O)Nc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)cc1
InChI InChI=1S/C28H33N7O3/c1-6-23(36)29-20-14-12-19(13-15-20)26(37)31-25-21-16-35(28(2,3)24(21)32-33-25)27(38)30-22(17-34(4)5)18-10-8-7-9-11-18/h6-15,22H,1,16-17H2,2-5H3,(H,29,36)(H,30,38)(H2,31,32,33,37)/t22-/m1/s1
Molecular weight 515.26 Da
AlogP 3.849700000000002
HBond acceptors 10
HBond donors 4
Atoms 71

References

Publications

Cross References

canSARChEMBLBindingDBBindingDB

Vendors

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

Expert Reviews

by SERP
(on 2 Jan 2024 )
Cellular Use Rating
The growth rate assay comparing WT cells to CDK7-C312S expressing cells is quite convincing at 100 nM. This data increases confidence in on-target selectivity towards CDK7 and usage at this concentration...
by SERP
(on 18 Jan 2024 )
Cellular Use Rating
This covalent inhibitor exhibits low nanomolar potency with a kinact/KI = 1.03*10^5 M-1s-1. Selectivity against the related CDKs 2/9/12/13 was demonstrated through kinase assays. A chemoproteomic Kinativ...
by SERP
(on 9 Feb 2024 )
Cellular Use Rating
YKL-5-124 is 9.7 nM biochemical inhibitor of CDK7 (in the CAK complex) that labels C312 covalently, derived from a combination of PAK inhibitor scaffold (PF-3758309) and a covalent compound, THZ1. Selectivity...
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