JPS016 |
JPS016 : Degrader (PROTAC) of HDAC1, HDAC2, HDAC3
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| HDAC1 |
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| HDAC2 |
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| HDAC3 |
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Degrader (PROTAC)
1uM
Selectivity
In Cell Selectivity Assessment
Potency Assay Off-Target:
RNA sequencing was performed to assess differentially expressed gene (DEG) in HTT16 cells.
Inhibito ...
Potency Cellular
In Vitro
HDAC1
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c02179
HDAC2
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c02179
HDAC3
Mode of Action: Degrader (PROTAC)
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.1c02179
Negative Control Compounds
canSAR3923653
Notes: Cpd 25 is the inactive VHL diasteroisomer with compromised target degradation.
Chemical Information
| Molecular Formula | C48H63N7O8S |
| SMILEs | Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)Nc2ccc(C(=O)Nc3ccccc3N)cc2)C(C)(C)C)cc1 |
| InChI | InChI=1S/C48H63N7O8S/c1-32-43(64-31-51-32)34-18-16-33(17-19-34)27-50-46(60)40-26-37(56)28-55(40)47(61)44(48(2,3)4)54-42(58)30-63-25-13-9-7-5-6-8-12-24-62-29-41(57)52-36-22-20-35(21-23-36)45(59)53-39-15-11-10-14-38(39)49/h10-11,14-23,31,37,40,44,56H,5-9,12-13,24-30,49H2,1-4H3,(H,50,60)(H,52,57)(H,53,59)(H,54,58)/t37-,40+,44-/m1/s1 |
| Molecular weight | 897.45 Da |
| AlogP | 0.0 |
| HBond acceptors | 15 |
| HBond donors | 7 |
| Atoms | 127 |