MRIA9 |
MRIA9 : Inhibitor of SIK1, SIK2, SIK3
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 |
|
|
| SIK2 |
|
|
| SIK3 |
|
|
Inhibitor
up to 5µM
up to 10 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
NanoBRET
Selectivity Assessment Description:
Results from cellular NanoBRET assays did not target KHS1 and NLK in the cells. Achieved selectivity ...
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Group I PAK (PAK1, PAK2 and PAK3) remains off-targets with respectively in vitro IC50s of 580, 41 an ...
Potency Cellular
In Vitro
SIK1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.0c02144
SIK2
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.0c02144
SIK3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.0c02144
Negative Control Compounds
MR7
Notes: The negative control MR7 with its blocked hinge-binding amine showed no activity on a DSF assay for 100 kinases and low activity on target on NanoBRET assay.
SMILES:
CN(C)C1=NC=C2C(N(C[C@H]3OC[C@H](N)CO3)C(C(C4=CC=C(C5=NC=CC=C5F)C=C4Cl)=C2)=O)=N1
Chemical Information
| Molecular Formula | C25H23ClFN5O3 |
| SMILEs | CNc1cc2c(cn1)cc(-c1ccc(-c3ncccc3F)cc1Cl)c(=O)n2C[C@H]1OC[C@H](N)CO1 |
| InChI | InChI=1S/C25H23ClFN5O3/c1-29-22-9-21-15(10-31-22)7-18(25(33)32(21)11-23-34-12-16(28)13-35-23)17-5-4-14(8-19(17)26)24-20(27)3-2-6-30-24/h2-10,16,23H,11-13,28H2,1H3,(H,29,31)/t16-,23- |
| Molecular weight | 495.15 Da |
| AlogP | 0.0 |
| HBond acceptors | 8 |
| HBond donors | 3 |
| Atoms | 58 |