Compound Detail
CHEMBL4764229
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Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL4764229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFZLXBVALAQEIC-DFBJGRDBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
3.06
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 7.79 | 7.79 | 16.4 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 4.27 | 4.27 | 53700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 16.4 | nM | 7.79 | Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity | 33095579 |
| Proteasome Macropain subunit MB1 | IC50 | = | 53700.0 | nM | 4.27 | Inhibition of human constitutive 20S proteasome beta 5 chymotrypsin-like activit... | 33095579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome subunit beta type-8 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome Macropain subunit MB1 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine