Compound Detail
CHEMBL54457
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Basic Information
| ChEMBL ID | CHEMBL54457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZLPOPCIOIPEGT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.85
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 320.0 | nM | 6.5 | Tested for inhibitory potency against neutral endopeptidase (NEP) | 8021926 |
| Angiotensin-converting enzyme | IC50 | = | 3600.0 | nM | 5.44 | Tested for inhibitory potency against Angiotensin I Converting Enzyme | 8021926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021926 | 10.1021/jm00038a016 | Neprilysin | 1 |
| 8021926 | 10.1021/jm00038a016 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine