Compound Detail
CHEMBL285038
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Basic Information
| ChEMBL ID | CHEMBL285038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVRLTBIHUWUGAR-KRWDZBQOSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
1.58
ALogP
4
HBA
5
HBD
136.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 9.09 | 8.822 | 0.8 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.81 | nM | 9.09 | The compound was tested in vitro for inhibition of Neutral endopeptidase by usin... | 7752193 |
| Neprilysin | IC50 | = | 1.6 | nM | 8.8 | In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat ... | - |
| Neprilysin | IC50 | = | 1.6 | nM | 8.8 | The compound was tested for inhibition of Neutral endopeptidase by using GAAP as... | 7752193 |
| Neprilysin | IC50 | = | 1.9 | nM | 8.72 | In vitro inhibition of Neutral endopeptidase (NEP) enzyme | 8120868 |
| Neprilysin | IC50 | = | 2.0 | nM | 8.7 | The compound was tested in vitro for inhibition of Neutral endopeptidase by usin... | 7752193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80259-6 | No relevant target | 3 |
| 7752193 | 10.1021/jm00010a014 | Neprilysin | 3 |
| 8120868 | 10.1021/jm00030a009 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80150-5 | Neprilysin | 1 |
| - | 10.1016/0960-894X(94)00474-T | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine