Compound Detail
CHEMBL3794303
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CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL3794303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSXHWPFYTPGUNA-VZGVYENOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 8.46 | nM | 8.07 | Inhibition of chymotrypsin like activity of human 20S proteasome using Suc-Leu-L... | 27117691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27117691 | 10.1016/j.bmc.2016.04.025 | Proteasome Macropain subunit MB1 | 2 |
Data from ChEMBL 36 via Core Engine