Compound Detail
CHEMBL579296
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CC(C)C[C@H](NC(=O)[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)c1cnccn1)B1OC2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL579296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVMFLLQZEBCPKK-MMTMAMTESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
654.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of 26S proteasome beta 5 using LLVY as substrate | 20131905 |
| Proteasome component C5 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of 26S proteasome beta 1 using nLPnLD as substrate | 20131905 |
| Proteasome Macropain subunit | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of 26S proteasome beta 2 using RLR as substrate | 20131905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20131905 | 10.1021/jm9015685 | Proteasome component C5 | 12 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit | 11 |
| 20131905 | 10.1021/jm9015685 | Proteasome subunit beta type-3 | 10 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit MB1 | 2 |
Data from ChEMBL 36 via Core Engine