Compound Detail
CHEMBL5206361
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CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@@H](C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2scnc2C)cc1)C(C)(C)C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL5206361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBDZFZJFGKYVBZ-RBILXPFJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1075.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 4 CHEMBL3524 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 4 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of recombinant HDAC4 (unknown origin) using Boc-Lys(TFA)-AMC as subst... | 36098485 |
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of class 2a HDAC in human Jurkat E6.1 cells using Boc-Lys(TFA)-AMC as... | 36098485 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36098485 | 10.1021/acs.jmedchem.2c01149 | von Hippel-Lindau disease tumor suppressor/Histone deacetylase 4 | 3 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Histone deacetylase 4 | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Histone deacetylase 5 | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Histone deacetylase 7 | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Histone deacetylase 9 | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Unchecked | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | Class 1 histone deacetylase | 1 |
| 36098485 | 10.1021/acs.jmedchem.2c01149 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine