Compound Detail
CHEMBL2369857
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C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2369857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAQIACRLBKOQJK-HNKCEKSGSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
-2.14
ALogP
7
HBA
5
HBD
179.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosol aminopeptidase CHEMBL3965 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosol aminopeptidase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition against Leucyl aminopeptidase from pig kidney. | 10395480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395480 | 10.1021/jm9805642 | Xaa-Pro aminopeptidase 2 | 3 |
| 10395480 | 10.1021/jm9805642 | Unchecked | 2 |
| 10395480 | 10.1021/jm9805642 | Xaa-Pro aminopeptidase 1 | 2 |
| 10395480 | 10.1021/jm9805642 | Xaa-Pro dipeptidase | 1 |
| 10395480 | 10.1021/jm9805642 | Cytosol aminopeptidase | 1 |
Data from ChEMBL 36 via Core Engine