Compound Detail
CHEMBL47289
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Basic Information
| ChEMBL ID | CHEMBL47289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUUGRNXBMBREMY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.77
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.75 | 6.835 | 18.0 | 2 |
| Neprilysin CHEMBL3768 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 18.0 | nM | 7.75 | Tested for inhibitory potency against neutral endopeptidase (NEP) | 8021926 |
| Neprilysin | IC50 | = | 18.0 | nM | 7.75 | Inhibition of enkephalinase activity in synaptic membranes prepared from rat str... | 2585440 |
| Neprilysin | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate | 7752193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021926 | 10.1021/jm00038a016 | Neprilysin | 1 |
| 2585440 | 10.1021/jm00132a005 | Neprilysin | 1 |
| 7752193 | 10.1021/jm00010a014 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine