Compound Detail
CHEMBL276181
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CC(C)C(NC(=O)Cn1ccc2c(=O)n([C@H]3C[C@@H]3c3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL276181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYAMKHDFBPRZSF-LNKXUWQBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
1.85
ALogP
7
HBA
2
HBD
123.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 230.0 | nM | 6.64 | Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic su... | 8676347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676347 | 10.1021/jm950684z | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine