Compound Detail
CHEMBL417226
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Basic Information
| ChEMBL ID | CHEMBL417226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHNQDNJEWOPPRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
1.47
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of guinea pig angiotensin I converting enzyme | 3020249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3020249 | 10.1021/jm00160a026 | Rattus norvegicus | 2 |
| 3020249 | 10.1021/jm00160a026 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine