Compound Detail
CHEMBL16139
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Basic Information
| ChEMBL ID | CHEMBL16139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWKDKPVRLQUCEM-SFYZADRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
1.41
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 6.5 | nM | 8.19 | In vitro inhibitory activity against angiotensin I converting enzyme of rats. | 2836590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2832605 | 10.1021/jm00399a033 | Rattus norvegicus | 2 |
| 2832605 | 10.1021/jm00399a033 | Angiotensin-converting enzyme | 1 |
| 2836590 | 10.1021/jm00401a014 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine