MS4078 |
MS4078 : Degrader (PROTAC) of ALK
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ALK |
|
|
Degrader (PROTAC)
100 nM
Selectivity
Potency Cellular
In Vitro
ALK
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1016/j.ejmech.2018.03.071
In Vivo Validations
Mouse
Dose: 50 mg/Kg
Route of delivery:
Intraperitoneal
Cmax:
3000 nM
DOI Reference: 10.1016/j.ejmech.2018.03.071
Chemical Information
| Molecular Formula | C45H52ClN9O8S |
| SMILEs | Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCN(CC(=O)NCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 |
| InChI | InChI=1S/C45H52ClN9O8S/c1-25(2)63-36-22-30(27(5)21-34(36)51-45-49-23-31(46)41(53-45)50-32-10-6-7-12-37(32)64(61,62)26(3)4)28-15-19-54(20-16-28)24-39(57)48-18-17-47-33-11-8-9-29-40(33)44(60)55(43(29)59)35-13-14-38(56)52-42(35)58/h6-12,21-23,25-26,28,35,47H,13-20,24H2,1-5H3,(H,48,57)(H,52,56,58)(H2,49,50,51,53) |
| Molecular weight | 913.33 Da |
| AlogP | 5.70382 |
| HBond acceptors | 17 |
| HBond donors | 5 |
| Atoms | 116 |
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