Compound Detail
CHEMBL303159
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Basic Information
| ChEMBL ID | CHEMBL303159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFEZBZKVMQPXIZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.45
ALogP
4
HBA
5
HBD
131.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 10.52 | 10.335 | 0.0 | 2 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Thermolysin CHEMBL3392 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 0.03 | nM | 10.52 | Inhibitory activity against Leu-enkeph of Neutral endopeptidase | 7783143 |
| Neprilysin | IC50 | = | 0.07 | nM | 10.15 | Inhibitory activity against big ET-1 of Neutral endopeptidase | 7783143 |
| Endothelin-converting enzyme 1 | IC50 | = | 0.25 | nM | 9.6 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
| Thermolysin | IC50 | = | 5.0 | nM | 8.3 | Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN) | 7783143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783143 | 10.1021/jm00012a011 | Neprilysin | 2 |
| 7783143 | 10.1021/jm00012a011 | Endothelin-converting enzyme 1 | 1 |
| 7783143 | 10.1021/jm00012a011 | Thermolysin | 1 |
Data from ChEMBL 36 via Core Engine