Compound Detail
CHEMBL51625
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Basic Information
| ChEMBL ID | CHEMBL51625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSFYVNRABGRTNY-FPMFFAJLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.11
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 1.3 | nM | 8.89 | Inhibitory activity was tested against neutral endopeptidase | 8632427 |
| Angiotensin-converting enzyme | IC50 | = | 25.0 | nM | 7.6 | Inhibitory activity against angiotensin I converting enzyme | 8632427 |
| Angiotensin-converting enzyme | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using H... | - |
| Neprilysin | IC50 | = | 285.0 | nM | 6.54 | In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80371-1 | Neprilysin | 1 |
| - | 10.1016/S0960-894X(01)80371-1 | Angiotensin-converting enzyme | 1 |
| - | 10.1016/S0960-894X(01)80371-1 | Rattus norvegicus | 1 |
| 8632427 | 10.1021/jm950590p | Neprilysin | 1 |
| 8632427 | 10.1021/jm950590p | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine