Compound Detail
CHEMBL331575
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Basic Information
| ChEMBL ID | CHEMBL331575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHIOKYGCFGNNCU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
1.16
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 9.0 | 8.35 | 1.0 | 2 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine ki... | 12852763 |
| Angiotensin-converting enzyme | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blo... | 12852763 |
| Angiotensin-converting enzyme | IC50 | = | 100.0 | nM | 7.0 | 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