Compound Detail
CHEMBL380390
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CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL380390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBBLQKKIZIIBIA-KVBYWJEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
679.0
MW (Da)
6.62
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit PRE2 CHEMBL4659 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit PRE2 | Ki | = | 30000.0 | nM | 4.52 | Inhibition of chymotrypsin like activity of yeast 20S proteasome | 16630721 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16630721 | 10.1016/j.bmcl.2006.03.033 | Proteasome Macropain subunit PRE2 | 1 |
| 16630721 | 10.1016/j.bmcl.2006.03.033 | Proteasome Macropain subunit | 1 |
| 16630721 | 10.1016/j.bmcl.2006.03.033 | Proteasome component C5 | 1 |
Data from ChEMBL 36 via Core Engine