Compound Detail
CHEMBL311093
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O=C([O-])C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)[O-].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL311093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIIXDRMEBZVNDU-ITZHZPBFSA-L |
| Parent Compound | CHEMBL1206806 |
| Active Moiety | CHEMBL1206806 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
3.99
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 29.0 | nM | 7.54 | Inhibition of enkephalinase activity in synaptic membranes prepared from rat str... | 2585440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2585440 | 10.1021/jm00132a005 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine