Compound Detail
CHEMBL106193
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Basic Information
| ChEMBL ID | CHEMBL106193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPJOJAKECQHSSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
0.77
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 158.49 | nM | 6.8 | Inhibition of angiotensin I converting enzyme in silico | 9379435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379435 | 10.1021/jm970211n | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine