Compound Detail
CHEMBL147847
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CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O)C(=O)N[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL147847 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YMFLUOCULVUGIG-KKXDTOCCSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
503.4
MW (Da)
0.92
ALogP
5
HBA
6
HBD
165.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Neprilysin CHEMBL1944 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Neprilysin CHEMBL3369 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity was assessed on CHO cells expressing recombinant human Endot... | 9554884 |
| Endothelin-converting enzyme 1 | IC50 | = | 8.0 | nM | 8.1 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Neprilysin | IC50 | = | 5800.0 | nM | 5.24 | Inhibitory activity against neutral endopeptidase (NEP). | 9554884 |
| Neprilysin | IC50 | = | 5800.0 | nM | 5.24 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554884 | 10.1021/jm970787c | Endothelin-converting enzyme 1 | 1 |
| 9554884 | 10.1021/jm970787c | Neprilysin | 1 |
| 9554884 | 10.1021/jm970787c | Unchecked | 1 |
| 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