PID-34 |
PID-34 : Covalent Degrader (PROTAC) of PIN1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| PIN1 |
|
Covalent
10 µM
Selectivity
Potency Cellular
In Vitro
PIN1
Mode of Action: Covalent
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1039/d3sc06558h
Negative Control Compounds
canSAR7437547
Notes: Negative controls P1D-34N1 bearing a methyl group in glutarimide NH to reduce its binding affinity to CRBN
canSAR7437566
Notes: P1D-34N2 is non-covalent and reduce its binding affinity to Pin1, resulting in a very weak effect on the levels of Pin1 protein.
Chemical Information
| Molecular Formula | C40H59ClN6O9S |
| SMILEs | CC(C)(CNC(=O)CCC(=O)NCCCCCCCCCCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)CN(C(=O)CCl)C1CCS(=O)(=O)C1 |
| InChI | InChI=1S/C40H59ClN6O9S/c1-40(2,27-46(36(51)24-41)29-19-22-57(55,56)25-29)26-44-34(49)18-17-33(48)43-21-12-10-8-6-4-3-5-7-9-11-20-42-28-13-14-30-31(23-28)39(54)47(38(30)53)32-15-16-35(50)45-37(32)52/h13-14,23,29,32,42H,3-12,15-22,24-27H2,1-2H3,(H,43,48)(H,44,49)(H,45,50,52) |
| Molecular weight | 834.38 Da |
| AlogP | 3.6940000000000035 |
| HBond acceptors | 15 |
| HBond donors | 4 |
| Atoms | 116 |