Compound Detail
CHEMBL104250
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Basic Information
| ChEMBL ID | CHEMBL104250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUGKXXHDIMBYMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
1.03
ALogP
6
HBA
1
HBD
111.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 15000.0 | nM | 4.82 | The compound was tested in vitro for ability to inhibit human leukocyte elastase... | 7932532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932532 | 10.1021/jm00045a014 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine