Compound Detail
CHEMBL5283332
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(N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@H](S)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5283332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIWRWPXUDHZKIO-JSXRDJHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
2.78
ALogP
4
HBA
3
HBD
86.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Angiotensin-converting enzyme CHEMBL4074 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 0.07 | nM | 10.15 | Binding affinity to rat kidney neutral endopeptidase | 27690430 |
| Angiotensin-converting enzyme | Ki | = | 4.5 | nM | 8.35 | Binding affinity to angiotensin-converting enzyme in rabbit lung assessed as inh... | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Angiotensin-converting enzyme | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine