Compound Detail
CHEMBL11336
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COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
Basic Information
| ChEMBL ID | CHEMBL11336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRYIHTCWDNVQMS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.4
MW (Da)
2.50
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 7.4 | 7.4 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 40.0 | nM | 7.4 | Inhibition of Human Leukocyte Elastase (HLE) | 8176703 |
| Neutrophil elastase | Ki | = | 40.0 | nM | 7.4 | In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synth... | 7837246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837246 | 10.1021/jm00001a015 | Cricetinae gen. sp. | 3 |
| 8176703 | 10.1021/jm00035a004 | Neutrophil elastase | 1 |
| 8176703 | 10.1021/jm00035a004 | Cricetinae gen. sp. | 1 |
| 7837246 | 10.1021/jm00001a015 | Neutrophil elastase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine