Compound Detail
CHEMBL357932
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O=C(N[C@H]1CCCCN([C@@H](Cc2ccccc2)C(=O)O)C1=O)[C@@H](S)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL357932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGDNUGHDWIHTPR-ACRUOGEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
2.72
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 6.32 | 6.32 | 479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 32.0 | nM | 7.5 | In vitro inhibition of purified rat kidney Neutral endopeptidase. | 8558518 |
| Angiotensin-converting enzyme | IC50 | = | 479.0 | nM | 6.32 | In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung... | 8558518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558518 | 10.1021/jm950677a | Neprilysin | 1 |
| 8558518 | 10.1021/jm950677a | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine