MRK-990 |
MRK-990 : Inhibitor of PRMT9, PRMT5
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PRMT9 |
|
|
| PRMT5 |
|
|
Inhibitor
up to 10 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity was assessed against 8 PRMTs at 1 and 10uM:
PRMT7 and PMRT4 remaining activity of 20 and ...
Potency Cellular
In Vitro
PRMT9
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
Other Reference: Peer reviewed at SGC
PRMT5
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
Other Reference: Peer reviewed at SGC
Negative Control Compounds
canSAR7437541
Notes: MRK-990-NC is a closely related negative control with IC50 > 10 micromolar.
Chemical Information
| Molecular Formula | C26H38N6O3S |
| SMILEs | Cc1cn([C@@H]2O[C@H](CSCCCCNCc3cccnc3C(C)(C)C)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |
| InChI | InChI=1S/C26H38N6O3S/c1-16-13-32(24-19(16)23(27)30-15-31-24)25-21(34)20(33)18(35-25)14-36-11-6-5-9-28-12-17-8-7-10-29-22(17)26(2,3)4/h7-8,10,13,15,18,20-21,25,28,33-34H,5-6,9,11-12,14H2,1-4H3,(H2,27,30,31)/t18-,20-,21-,25-/m1/s1 |
| Molecular weight | 514.27 Da |
| AlogP | 2.936820000000001 |
| HBond acceptors | 9 |
| HBond donors | 5 |
| Atoms | 74 |