Compound Detail
CHEMBL311525
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Basic Information
| ChEMBL ID | CHEMBL311525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORFGPZNJDHOWLV-RITPCOANSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
0.15
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 9.0 | nM | 8.05 | In vitro inhibitory activity against Angiotensin I converting enzyme in rabbit l... | 6279843 |
| Angiotensin-converting enzyme | IC50 | = | 8.913 | nM | 8.05 | Inhibitory activity against angiotensin converting enzyme (ACE) | 8360884 |
| Angiotensin-converting enzyme | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Angiotensin I converting enzyme | 2983076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6279843 | 10.1021/jm00345a011 | Angiotensin-converting enzyme | 1 |
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 2983076 | 10.1021/jm00381a021 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine