Compound Detail
CHEMBL4452844
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Cc1ccc(C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL4452844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKIXDQFLQFYOID-ZWBVAQSDSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.39 | 7.105 | 4.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.1 | nM | 8.39 | Inhibition of human 20S proteasome beta 5i preincubated for 1 hr followed by flu... | 31283222 |
| Unchecked | IC50 | = | 80.0 | nM | 7.1 | Inhibition of 20S proteasome beta 5i/20S proteasome beta 1i in human PBMC cell l... | 31283222 |
| Unchecked | IC50 | = | 92.0 | nM | 7.04 | Inhibition of human 20S proteasome beta 1i | 31283222 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of 20S proteasome beta 5c (unknown origin) preincubated for 1 hr foll... | 31283222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31283222 | 10.1021/acs.jmedchem.9b00509 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine