Compound Detail
CHEMBL319237
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Basic Information
| ChEMBL ID | CHEMBL319237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPROPYDVVDTNLK-IRXDYDNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
2.42
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 6.37 | 6.37 | 426.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isola... | 9925736 |
| Neprilysin | IC50 | = | 426.0 | nM | 6.37 | In vitro inhibitory activity against purified rat kidney neutral endopeptidase (... | 9925736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9925736 | 10.1021/jm980542f | Angiotensin-converting enzyme | 1 |
| 9925736 | 10.1021/jm980542f | Neprilysin | 1 |
| 9925736 | 10.1021/jm980542f | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine