Compound Detail
CHEMBL431957
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Basic Information
| ChEMBL ID | CHEMBL431957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKSBHRQLLDXSMP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.56
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 10.0 | nM | 8.0 | Inhibition of neutral endopeptidase (NEP). | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00367-8 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine