Compound Detail
CHEMBL1159941
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CC(N)P(=O)(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1159941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXKSGWYTMCYAQI-CFAJLAAASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
3.90
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Neprilysin CHEMBL3768 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 3.7 | nM | 8.43 | Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. | 10753476 |
| Neprilysin | Ki | = | 51.0 | nM | 7.29 | Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. | 10753476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753476 | 10.1021/jm990483l | Aminopeptidase N | 1 |
| 10753476 | 10.1021/jm990483l | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine