Compound Detail
CHEMBL114552
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Basic Information
| ChEMBL ID | CHEMBL114552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNJOFRZCHPJUGG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
1.91
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blo... | 12852763 |
| Angiotensin-converting enzyme | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat corte... | 12852763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852763 | 10.1021/jm021089h | Angiotensin-converting enzyme | 3 |
| 12852763 | 10.1021/jm021089h | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine