Compound Detail
CHEMBL2051988
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CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2
Basic Information
| ChEMBL ID | CHEMBL2051988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRWCVUIFMSZDJS-YKOWGRMDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
2.39
ALogP
7
HBA
2
HBD
95.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 92.0 | nM | 7.04 | Compound tested in vitro for inhibition of Angiotensin I converting enzyme in ra... | 2544729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2544729 | 10.1021/jm00127a033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine