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HG-9-91-01 | HG-9-91-01 : ATP competitive inhibitor of SIK1, SIK2, SIK3
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
SIK1
  • IC50:0.92 nM
SIK2
  • IC50:6.6 nM
SIK3
  • IC50:9.6 nM
ATP competitive
100-500 nM

Selectivity

In Vitro Selectivity Assessment

Potency: IC50 - NUAK2 145 nM

Potency Assay Off-Target:
HG-9-91-01 was also active against SRC, LCK, YES, BTK, FGFRs, and Ephrin receptors. It was not activ ...

Potency
Cellular
In Vitro

SIK1

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1073/pnas.1215450109

SIK2

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1073/pnas.1215450109

SIK3

Mode of Action: ATP competitive

Structure-Activity-Relationship data available? Yes

DOI Reference: 10.1073/pnas.1215450109

Chemical Information

Molecular Formula C32H37N7O3
SMILEs COc1ccc(N(C(=O)Nc2c(C)cccc2C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c(OC)c1
InChI InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
Molecular weight 567.30 Da
AlogP 5.976240000000006
HBond acceptors 10
HBond donors 2
Atoms 79
PAINS * Yes

* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )

References

Publications

Cross References

canSARChEMBLBindingDBPDB

Vendors

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Expert Reviews

by SERP
(on 21 Dec 2016 )
Cellular Use Rating
In Model Organisms
In a limited panel (108 kinases), HG-9-91-01 inhibited several kinases (including SFKs) to a similar extent as the SIKs at 100 nM. Given the limited selectivity information available, use caution when...
by SERP
(on 20 Jan 2017 )
Cellular Use Rating
In Model Organisms
This probe is useful in cells when assayed alongside other, also not uniquely selective SIK inhibitors. Use in animals will require additional in vivo profiling (e.g., PK data).
by SERP
(on 9 Feb 2017 )
Cellular Use Rating
In Model Organisms
This compound showed several off-targets in a very limited kinase panel of 108 kinases with a concentration of 100 nM. To use this compound as a probe, more detailed selectivity data should be determined...
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