Compound Detail
CHEMBL424550
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CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL424550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCZDAASJUIUQFZ-FHWLQOOXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
1.12
ALogP
6
HBA
3
HBD
147.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 1.8 | nM | 8.74 | In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed h... | 7837243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837243 | 10.1021/jm00001a013 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine