Compound Detail
CHEMBL46081
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Basic Information
| ChEMBL ID | CHEMBL46081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRSUMLWKSZXAQR-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
3.11
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Neprilysin CHEMBL1944 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 99.0 | nM | 7.0 | In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate | 7752193 |
| Neprilysin | IC50 | = | 550.0 | nM | 6.26 | Inhibition of recombinant human NEP expressed in insect cells preincubated for 1... | 32071687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752193 | 10.1021/jm00010a014 | Neprilysin | 1 |
| 32071687 | 10.1021/acsmedchemlett.9b00578 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine