Compound Detail
CHEMBL1159942
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C[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)CP(=O)(O)[C@H](N)c1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1159942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCJYNTULOJIUPY-GLYQVZKVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
4.03
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Aminopeptidase N CHEMBL2590 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 2.0 | nM | 8.7 | Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. | 10753476 |
| Aminopeptidase N | Ki | = | 4.8 | nM | 8.32 | Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. | 10753476 |
| Angiotensin-converting enzyme | Ki | = | 2500.0 | nM | 5.6 | inhibitory activity on angiotensin I converting enzyme (ACE) using cbz-Phe-His-L... | 10753476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753476 | 10.1021/jm990483l | Aminopeptidase N | 1 |
| 10753476 | 10.1021/jm990483l | Neprilysin | 1 |
| 10753476 | 10.1021/jm990483l | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine