Compound Detail
CHEMBL4462775
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CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(C(=O)NO)c1)B1O[C@@H]2[C@@H]3C[C@H](C[C@]2(C)O1)C3(C)C
Basic Information
| ChEMBL ID | CHEMBL4462775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBYAGXSAHWJMLW-FJPRILFMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
614.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human proteasome pre-incubated for 30 mins before Suc-LLVY-AMC sub... | 32267687 |
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 1430.0 | nM | 5.84 | Inhibition of HDAC1/2 in human HeLa cell nuclear extracts pre-incubated for 5 mi... | 32267687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32267687 | 10.1021/acs.jmedchem.9b02161 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 32267687 | 10.1021/acs.jmedchem.9b02161 | Proteasome | 1 |
Data from ChEMBL 36 via Core Engine