Compound Detail
CHEMBL173849
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COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL173849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFEYLVUYPIDQER-ANYOKISRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
2.47
ALogP
6
HBA
2
HBD
122.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1.4 | nM | 8.85 | Concentration required to inhibit the activity of Angiotensin I converting enzym... | 6173481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6173481 | 10.1021/jm00140a010 | Rattus norvegicus | 6 |
| 6173481 | 10.1021/jm00140a010 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine