KEAP-IN-23 |
KEAP-IN-23 : Covalent Inhibitor of KEAP1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| KEAP1 |
|
Covalent Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity of cpd 23 on a proteome-wide scale was evaluated using the isoTOP ABPP approach. Live MD ...
Selectivity Assessment Description:
For both cpd 23 and the negative control cpd 28, was found that, overall, less than 1% of the detect ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Cpd 23 was tested on a panel of 45 receptors at 10 μM
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Cpd 23 was tested by DSF on a panel of 96 kinases at 10 μM
Potency Cellular
In Vitro
KEAP1
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c02019
Negative Control Compounds
Chemical Information
| Molecular Formula | C17H20ClN3O5S3 |
| SMILEs | CCS(=O)(=O)c1nc(S(=O)(=O)c2ccccc2Cl)c(N2CCN(C)C(=O)[C@H]2C)s1 |
| InChI | InChI=1S/C17H20ClN3O5S3/c1-4-28(23,24)17-19-14(29(25,26)13-8-6-5-7-12(13)18)16(27-17)21-10-9-20(3)15(22)11(21)2/h5-8,11H,4,9-10H2,1-3H3/t11-/m1/s1 |
| Molecular weight | 477.03 Da |
| AlogP | 2.0898000000000003 |
| HBond acceptors | 8 |
| HBond donors | -- |
| Atoms | 49 |