Compound Detail
CHEMBL5594679
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CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2cccc([C@@H](CC(=O)[O-])NC(=O)Nc3ccc(NC(=O)NCCOCCOCCOCCC(=O)N[C@@H](CC(=O)[O-])C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)O[C@]4(CC)C(=O)OCc5c4cc4n(c5=O)Cc5c-4nc4ccccc4c5CC)C(C)C)cc3)c2)c1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL5594679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVBHCHRVKCGYDA-YBUSIOMQSA-L |
| Parent Compound | CHEMBL6068064 |
| Active Moiety | CHEMBL6068064 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1471.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL5156 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of mouse Neutrophil elastase | 38421819 |
| Neutrophil elastase | IC50 | = | 9600.0 | nM | 5.02 | Inhibition of human Neutrophil elastase | 38421819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38421819 | 10.1021/acs.jmedchem.3c02115 | Neutrophil elastase | 2 |
| 38421819 | 10.1021/acs.jmedchem.3c02115 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine