Compound Detail
CHEMBL4283793
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NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4283793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUGUOCNJLXTLJO-FOUYOVOOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
573.6
MW (Da)
1.19
ALogP
7
HBA
6
HBD
188.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human 20S constitutive proteasome beta-5 using Suc-LLVY-AMC as sub... | 29339252 |
| Proteasome subunit beta type-8 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of human 20S immunoproteasome beta-5 using Suc-LLVY-AMC as substrate ... | 29339252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit MB1 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-8 | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome component C5 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome Macropain subunit | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-10 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-9 | 1 |
Data from ChEMBL 36 via Core Engine