MSC-4381 |
Inhibitor of SLC16A3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| SLC16A3 |
|
|
Inhibitor
Up to 10 µM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
MSC-4381 is selective within the target family: SLC16A1 (MCT1): SNU-398 (MCT1+/4-) cells (IC50 > 4 µ ...
Potency Cellular
In Vitro
SLC16A3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c00448.
Chemical Information
| Molecular Formula | C26H20ClN3O6S |
| SMILEs | CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C#Cc2cnc(C(=O)O)cc2OC)c2ncccc12 |
| InChI | InChI=1S/C26H20ClN3O6S/c1-3-36-22-10-11-24(25-19(22)5-4-12-28-25)37(33,34)30-20-9-8-18(27)13-16(20)6-7-17-15-29-21(26(31)32)14-23(17)35-2/h4-5,8-15,30H,3H2,1-2H3,(H,31,32) |
| Molecular weight | 537.08 Da |
| AlogP | 0.0 |
| HBond acceptors | 9 |
| HBond donors | 2 |
| Atoms | 57 |