Compound Detail
CHEMBL309601
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Basic Information
| ChEMBL ID | CHEMBL309601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEMZVPEAVUVHY-JSGCOSHPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
1.47
ALogP
3
HBA
3
HBD
106.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Ki | = | 0.5 | nM | 9.3 | Compound was evaluated for the inhibition of Angiotensin I converting enzyme | 2983076 |
| Angiotensin-converting enzyme | IC50 | = | 7.079 | nM | 8.15 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine