Compound Detail
CHEMBL578486
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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL578486 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BIDFIFYVSRDHGK-KGSCVCOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
774.8
MW (Da)
6.29
ALogP
6
HBA
3
HBD
165.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of 26S proteasome beta 5 using LLVY as substrate | 20131905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20131905 | 10.1021/jm9015685 | Proteasome component C5 | 13 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit | 13 |
| 20131905 | 10.1021/jm9015685 | Proteasome subunit beta type-3 | 10 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit MB1 | 3 |
Data from ChEMBL 36 via Core Engine