Compound Detail
CHEMBL427760
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
Cc1cccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)CNC(=O)[C@@H](S)Cc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL427760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUUFSQHEJSEUOA-AABGKKOBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
2.77
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Angiotensin-converting enzyme CHEMBL2625 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2.3 | nM | 8.64 | In vitro inhibition of neutral endopeptidase | 8691458 |
| Angiotensin-converting enzyme | IC50 | = | 6.2 | nM | 8.21 | In vitro inhibition of rat angiotensin I converting enzyme | 8691458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691458 | 10.1021/jm950783c | Neprilysin | 1 |
| 8691458 | 10.1021/jm950783c | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine