Compound Detail
CHEMBL147702
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(NC(=O)[C@@H](S)Cc2ccccc2)CCCC1
Basic Information
| ChEMBL ID | CHEMBL147702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKYIOXOQENXWBI-PMACEKPBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
2.47
ALogP
5
HBA
5
HBD
115.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 3.0 | nM | 8.52 | Evaluation of in vitro inhibitory activity against Neutral endopeptidase | 8544178 |
| Angiotensin-converting enzyme | IC50 | = | 22.0 | nM | 7.66 | Evaluation of in vitro inhibitory activity against Angiotensin I converting enzy... | 8544178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544178 | 10.1021/jm00026a009 | Angiotensin-converting enzyme | 5 |
| 8544178 | 10.1021/jm00026a009 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine