Compound Detail
CHEMBL14223
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Basic Information
| ChEMBL ID | CHEMBL14223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPVAQYWPIDBFHT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
0.70
ALogP
5
HBA
2
HBD
94.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 5.57 | 5.57 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 2700.0 | nM | 5.57 | The compound was tested in vitro for ability to inhibit human leukocyte elastase... | 7932532 |
| Neutrophil elastase | Ki | = | 2700.0 | nM | 5.57 | Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic su... | 8676347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676347 | 10.1021/jm950684z | No relevant target | 2 |
| 7932532 | 10.1021/jm00045a014 | Neutrophil elastase | 1 |
| 8676347 | 10.1021/jm950684z | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine