Compound Detail
CHEMBL4286415
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C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4286415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALGIPICSAVGASQ-RZDCKMFNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
659.7
MW (Da)
2.36
ALogP
8
HBA
7
HBD
195.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.485 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of yeast 20S constitutive proteasome beta-5 | 29339252 |
| Unchecked | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of yeast 20S immunoproteasome beta-5 | 29339252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Unchecked | 2 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome component C5 | 1 |
| 29339252 | 10.1016/j.ejmech.2018.01.013 | Proteasome subunit beta type-9 | 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 |
Data from ChEMBL 36 via Core Engine