Compound Detail
CHEMBL2112768
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C[C@H](N[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2112768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQAPMPGSRFFFSJ-MQGJPIDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
1.92
ALogP
5
HBA
4
HBD
136.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibitory activity against Angiotensin I converting enzyme | 2984419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2984419 | 10.1021/jm00382a008 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine