Compound Detail
CHEMBL113759
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Basic Information
| ChEMBL ID | CHEMBL113759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAQRHURCJWHRJU-MNNMKWMVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
0.84
ALogP
5
HBA
5
HBD
136.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Neprilysin CHEMBL3768 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against Endopeptidase | 10669559 |
| Neprilysin | Ki | = | 11.0 | nM | 7.96 | Tested for binding affinity against neutral endopeptidase (NEP) | 8021926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | Neprilysin | 1 |
| 10669559 | 10.1021/jm990412m | Angiotensin-converting enzyme | 1 |
| 8021926 | 10.1021/jm00038a016 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine