Compound Detail
CHEMBL67348
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Basic Information
| ChEMBL ID | CHEMBL67348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBBNDIIQSGINFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
-1.40
ALogP
5
HBA
5
HBD
158.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Neprilysin CHEMBL3768 | IC50 | 6.77 | 6.445 | 170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 150.0 | nM | 6.82 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
| Neprilysin | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against Leu-enkeph of Neutral endopeptidase | 7783143 |
| Neprilysin | IC50 | = | 750.0 | nM | 6.12 | 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