RMS-07 |
RMS-07 : Covalent Inhibitor of TTK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| TTK |
|
|
Covalent Inhibitor
500 nM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
To assess the selectivity of compounds RMS-07, was used a thermal shift assay [differential scanning ...
Selectivity Assessment Description:
RMS-07 major off-targets [≥5 °C ] were MAPK9 (JNK2), PLK4, RPS6KA5 (MSK1), GAK, MAPK8 (JNK1), MAPK10 ...
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Tadiometric assay screen RMS-07 on the four other human kinases with an equivalent cysteine placemen ...
Selectivity Assessment Description:
FGFR4 IC50 2.75 uM,
MAPKAPK2 (MK2) IC50 >5 uM, MAPKAPK3 (MK3) IC50 >5 uM,
p70S6Kβ (S6K2) IC50 1.65 ...
Potency Cellular
In Vitro
TTK
Mode of Action: Covalent Inhibitor
Structure-Activity-Relationship data available? No
DOI Reference: 10.1021/acs.jmedchem.1c01165
Chemical Information
| Molecular Formula | C35H40N8O2 |
| SMILEs | C=CC(=O)Nc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-n1ccc(C(=O)Nc3c(CC)cccc3CC)c1CC2 |
| InChI | InChI=1S/C35H40N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h7-10,12-13,15-16,21-22H,3,5-6,11,14,17-20H2,1-2,4H3,(H,37,44)(H,39,45)(H,36,38,40) |
| Molecular weight | 604.33 Da |
| AlogP | 5.362900000000004 |
| HBond acceptors | 10 |
| HBond donors | 3 |
| Atoms | 85 |