Compound Detail
CHEMBL67000
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
Basic Information
| ChEMBL ID | CHEMBL67000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODLMYCBVSPRKFQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
-1.04
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.52 | 8.31 | 3.0 | 2 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Leu-enkeph of Neutral endopeptidase | 7783143 |
| Endothelin-converting enzyme 1 | IC50 | = | 6.8 | nM | 8.17 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
| Neprilysin | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against big ET-1 of Neutral endopeptidase | 7783143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783143 | 10.1021/jm00012a011 | Neprilysin | 2 |
| 7783143 | 10.1021/jm00012a011 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine