Compound Detail
CHEMBL84195
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O=C(O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL84195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTIKEXSWCQTDKS-VXKWHMMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.52
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 800.0 | nM | 6.1 | 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