Compound Detail
CHEMBL112119
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Basic Information
| ChEMBL ID | CHEMBL112119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNJVXPHUCHCJOE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.3
MW (Da)
3.99
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 1.0 | nM | 9.0 | Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE... | - |
| Neutrophil elastase | Ki | = | 1.0 | nM | 9.0 | Observed binding affinity against Human leukocyte elastase (HLE) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00029-S | Neutrophil elastase | 4 |
Data from ChEMBL 36 via Core Engine