Compound Detail
CHEMBL161968
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Basic Information
| ChEMBL ID | CHEMBL161968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUNWHEWUZMQWJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
-0.50
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 5.82 | 5.67 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
| Angiotensin-converting enzyme | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibitory activity against rat serum angiotensin I converting enzyme u... | 8459398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8459398 | 10.1021/jm00058a006 | Angiotensin-converting enzyme | 2 |
Data from ChEMBL 36 via Core Engine