Compound Detail
CHEMBL1172443
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Basic Information
| ChEMBL ID | CHEMBL1172443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXWVDINGZQKMMS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.6
MW (Da)
4.27
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 7.61 | 7.57 | 24.8 | 2 |
| Neutrophil CHEMBL613710 | IC50 | 7.09 | 5.845 | 80.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 24.8 | nM | 7.61 | Inhibition of human neutrophil elastase after 30 mins by ELISA | 20417587 |
| Neutrophil elastase | IC50 | = | 29.5 | nM | 7.53 | Inhibition of human leukocyte elastase after 2 mins by ELISA | 20417587 |
| Neutrophil | IC50 | = | 80.8 | nM | 7.09 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP-in... | 20417587 |
| Neutrophil | IC50 | = | 25000.0 | nM | 4.6 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP-in... | 20417587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20417587 | 10.1016/j.ejmech.2010.03.046 | Neutrophil | 2 |
| 20417587 | 10.1016/j.ejmech.2010.03.046 | Neutrophil elastase | 2 |
| 20417587 | 10.1016/j.ejmech.2010.03.046 | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine