Compound Detail
CHEMBL1907752
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CCOC(=O)C(CCc1ccccc1)[S+]([O-])C(C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1907752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOQBBOUITFIGTK-QJFYWVNRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
2.93
ALogP
5
HBA
1
HBD
107.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 220.0 | nM | 6.66 | In vitro inhibitory activity against Angiotensin I converting enzyme from unpuri... | 2993618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993618 | 10.1021/jm00147a030 | Rattus norvegicus | 2 |
| 2993618 | 10.1021/jm00147a030 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine