AH078 |
AH078 : Degrader (PROTAC) of CSNK1D, CSNK1E
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| CSNK1D |
| |
| CSNK1E |
|
Degrader (PROTAC)
1 µM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family:
AH078 is not able to degrade CK1a at low concentrations (Dmax 35%) ...
Potency Cellular
In Vitro
CSNK1D
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c02201
CSNK1E
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.4c02201
Negative Control Compounds
canSAR7437542
Notes: cpd38 is the S stereoisomer, is able to engage the targets in cell but does not degrade CK1d and CK1e
Chemical Information
| Molecular Formula | C51H60F2N10O5S |
| SMILEs | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCC(=O)N2CCC(F)(Cn3cnc(-c4ccc(F)cn4)c3-c3ccnc4[nH]ccc34)CC2)C(C)(C)C)cc1 |
| InChI | InChI=1S/C51H60F2N10O5S/c1-32-45(69-31-59-32)34-13-11-33(12-14-34)26-57-48(67)40-25-36(64)28-63(40)49(68)46(50(2,3)4)60-41(65)9-7-5-6-8-10-42(66)61-23-19-51(53,20-24-61)29-62-30-58-43(39-16-15-35(52)27-56-39)44(62)37-17-21-54-47-38(37)18-22-55-47/h11-18,21-22,27,30-31,36,40,46,64H,5-10,19-20,23-26,28-29H2,1-4H3,(H,54,55)(H,57,67)(H,60,65)/t36-,40+,46-/m1/s1 |
| Molecular weight | 962.44 Da |
| AlogP | 7.539820000000007 |
| HBond acceptors | 15 |
| HBond donors | 4 |
| Atoms | 129 |