Compound Detail
CHEMBL366495
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CC(C)C[C@@H](C(=O)O)N1Cc2ccccc2C[C@H](NC(=O)[C@H](S)Cc2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL366495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVSZLSBZJCTXKA-FDFHNCONSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
3.10
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 0.4 | nM | 9.4 | Compound was tested for inhibition of neutral endopeptidase (NEP). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00149-7 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine