Compound Detail
CHEMBL58340
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CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1Cc2cc(OC)c(OC)cc2CC1C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL58340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZXQEVNCLGXAGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.7
MW (Da)
4.24
ALogP
8
HBA
1
HBD
103.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 300.0 | nM | 6.52 | Inhibition of guinea pig angiotensin I converting enzyme | 3020249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3020249 | 10.1021/jm00160a026 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine