Compound Detail
CHEMBL424497
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CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL424497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYUUVKQRXKVXEV-ROUUACIJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
2.66
ALogP
4
HBA
5
HBD
111.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2.1 | nM | 8.68 | Evaluation of in vitro inhibitory activity against Neutral endopeptidase | 8544178 |
| Angiotensin-converting enzyme | IC50 | = | 10.0 | nM | 8.0 | Evaluation of in vitro inhibitory activity against Angiotensin I converting enzy... | 8544178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544178 | 10.1021/jm00026a009 | Angiotensin-converting enzyme | 9 |
| 8544178 | 10.1021/jm00026a009 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine