Compound Detail
CHEMBL366455
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O=C(CCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)N[C@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL366455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMJSQLHYOQNHIT-XMMISQBUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.19
ALogP
4
HBA
3
HBD
112.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 28.0 | nM | 7.55 | Concentration required to inhibit the activity of Angiotensin I converting enzym... | 6173481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6173481 | 10.1021/jm00140a010 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine