SR-0813 |
Inhibitor of MLLT1, MLLT3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MLLT1 |
|
|
| MLLT3 |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Selectivity Assessment Description:
Selective over YEATS2 and YEATS4. Outside target family: SR-0813 was profiled for off-target effects ...
Potency Cellular
In Vitro
MLLT1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acscentsci.0c01550
MLLT3
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acscentsci.0c01550
Chemical Information
| Molecular Formula | C25H32N6O3S |
| SMILEs | O=C(NC1CCC1)c1ccc2nc(-c3cccc(NS(=O)(=O)NCCN4CCCCC4)c3)cn2c1 |
| InChI | InChI=1S/C25H32N6O3S/c32-25(27-21-7-5-8-21)20-10-11-24-28-23(18-31(24)17-20)19-6-4-9-22(16-19)29-35(33,34)26-12-15-30-13-2-1-3-14-30/h4,6,9-11,16-18,21,26,29H,1-3,5,7-8,12-15H2,(H,27,32) |
| Molecular weight | 496.23 Da |
| AlogP | 0.0 |
| HBond acceptors | 9 |
| HBond donors | 3 |
| Atoms | 67 |
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