Compound Detail
CHEMBL329372
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CC(C)[C@H](NCP(=O)(O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL329372 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HKDDPXBAKXLRGJ-LDVJMBRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
547.5
MW (Da)
1.18
ALogP
6
HBA
6
HBD
176.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibitory concentration against neutral endopeptidase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80703-4 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80703-4 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine