Compound Detail
CHEMBL95564
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C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL95564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIMJMPFFIWOIDL-QMMLZNLJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
2.70
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Angiotensin-converting enzyme CHEMBL2096989 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 1.0 | nM | 9.0 | Inhibition of guinea pig serum Angiotensin I converting enzyme | 6292422 |
| Angiotensin-converting enzyme | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity of compound against angiotensin I converting enzyme was dete... | 15125946 |
| Angiotensin-converting enzyme | IC50 | = | 1.0 | nM | 9.0 | Inhibition of ACE | 21413808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6292422 | 10.1021/jm00353a005 | Rattus norvegicus | 10 |
| 15125946 | 10.1016/j.bmcl.2004.03.042 | Angiotensin-converting enzyme | 2 |
| 6292422 | 10.1021/jm00353a005 | Angiotensin-converting enzyme | 1 |
| 21413808 | 10.1021/jm1013693 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine