Compound Detail
CHEMBL81423
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CC(C)C[C@@H](N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL81423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGQBIYMLALKTR-WHOHXGKFSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
-1.30
ALogP
5
HBA
4
HBD
138.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xaa-Pro aminopeptidase 2 CHEMBL2970 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Xaa-Pro aminopeptidase 2 CHEMBL4610 | IC50 | 4.52 | 4.515 | 30000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xaa-Pro aminopeptidase 2 | IC50 | = | 19000.0 | nM | 4.72 | Activity against membrane bound rat aminopeptidase P | 10395480 |
| Xaa-Pro aminopeptidase 2 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition against membrane bound monkey aminopeptidase P | 10395480 |
| Xaa-Pro aminopeptidase 2 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition against membrane bound human aminopeptidase P | 10395480 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition against Aminopeptidase P from bovine. | 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