SM311 |
SM311 : Covalent Inhibitor of LIMK1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| LIMK1 |
|
|
Covalent Inhibitor
100 nM up to 1 uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
LIMK2: NanoBRET (EC50 = 6.74 µM)
In Vitro Selectivity Assessment
Potency Assay Off-Target:
DSF panel: 3 targets > 3 K: LIMK1 (deltaTm = 8.11 K), MAPK8 (deltaTm =7.36 K) , MAPK10 (deltaTm =8.1 ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Selectivity for LIMK1 was confirmed by whole-cell proteomics in HEK293 cells
In Cell Selectivity Assessment
Potency Assay Off-Target:
NanoBRET analysis against a panel of 192 kinases at 1 μM compound concentration. Most significant ta ...
Potency Cellular
In Vitro
LIMK1
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.5c01204
Negative Control Compounds
Chemical Information
| Molecular Formula | C20H19F2N5O2S |
| SMILEs | C=CC(=O)Nc1ccc(-n2nc(C(F)F)cc2-c2cnc(NC(=O)C(C)C)s2)cc1 |
| InChI | InChI=1S/C20H19F2N5O2S/c1-4-17(28)24-12-5-7-13(8-6-12)27-15(9-14(26-27)18(21)22)16-10-23-20(30-16)25-19(29)11(2)3/h4-11,18H,1H2,2-3H3,(H,24,28)(H,23,25,29) |
| Molecular weight | 431.12 Da |
| AlogP | 4.652400000000003 |
| HBond acceptors | 7 |
| HBond donors | 2 |
| Atoms | 49 |