SGC-CDKL5_GSK3 |
SGC-CDKL5_GSK3 : ATP competitive, Inhibitor of CDKL5, GSK3A, GSK3B
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CDKL5 |
|
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| GSK3A |
|
|
| GSK3B |
|
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up to 500 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Compounds 2 and 4, were analysed at 1 μM in the Eurofins DiscoverX scanMAX panel, assessing binding ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
NanoBRET assay for closest off-target CDK16 and related CDK17: IC50 of 1.9 μM for bot targets
Potency Cellular
In Vitro
CDKL5
Mode of Action: ATP competitive
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acschemneuro.3c00135
GSK3A
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acschemneuro.3c00135
GSK3B
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acschemneuro.3c00135
Negative Control Compounds
SGC-GSK3-1, SGC-CDKL5/GSK3-1N
Notes: cpd 4 was 400-fold less active (IC50 = 1400 nM) in NanoBRET, and IC50 840 nM in biochemical assay
Chemical Information
| Molecular Formula | C16H17F2N5O2 |
| SMILEs | O=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1cc(F)cc(F)c1 |
| InChI | InChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24) |
| Molecular weight | 349.14 Da |
| AlogP | 1.422 |
| HBond acceptors | 7 |
| HBond donors | 4 |
| Atoms | 42 |