Compound Detail
CHEMBL148056
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Basic Information
| ChEMBL ID | CHEMBL148056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYXPDXHZGJELSV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
2.11
ALogP
6
HBA
4
HBD
137.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 6.0 | nM | 8.22 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Neprilysin | IC50 | = | 114.0 | nM | 6.94 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 1 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 1 |
| 10669576 | 10.1021/jm990507o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine