Compound Detail
CHEMBL198316
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]1Cc2ccccc2C2CCC[C@H](C(=O)O)N2C1=O)[C@H](S)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL198316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIWRWPXUDHZKIO-AJQVQDMVSA-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
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.08 | nM | 10.1 | Inhibitory concentration against neutral endopeptidase | 16220969 |
| Angiotensin-converting enzyme | IC50 | = | 0.11 | nM | 9.96 | Inhibitory concentration against angiotensin I converting enzyme | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220969 | 10.1021/jm058225d | Angiotensin-converting enzyme | 1 |
| 16220969 | 10.1021/jm058225d | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine