Compound Detail
CHEMBL146936
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Basic Information
| ChEMBL ID | CHEMBL146936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRUVAUSVWLATAE-ZDUSSCGKSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
2.31
ALogP
4
HBA
4
HBD
120.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.66 | 7.66 | 22.0 | 3 |
| Neprilysin CHEMBL1944 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Neprilysin CHEMBL3768 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 22.0 | nM | 7.66 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Endothelin-converting enzyme 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of Endothelin-converting enzyme 1 (ECE) | 11906289 |
| Endothelin-converting enzyme 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human somatic ECE1 | 19899765 |
| Neprilysin | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
| Neprilysin | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of neutral endopeptidase (NEP) | 11906289 |
| Neprilysin | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human somatic NEP | 19899765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 2 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 1 |
| 10669576 | 10.1021/jm990507o | Unchecked | 1 |
| 11906289 | 10.1021/jm0005454 | Neprilysin | 1 |
| 11906289 | 10.1021/jm0005454 | Endothelin-converting enzyme 1 | 1 |
| 19899765 | 10.1021/jm9010803 | Neprilysin | 1 |
| 19899765 | 10.1021/jm9010803 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine