Compound Detail
CHEMBL1172107
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Basic Information
| ChEMBL ID | CHEMBL1172107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKKDUVVKHDAFOC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.7
MW (Da)
3.52
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 6.66 | 6.435 | 221.5 | 2 |
| Neutrophil CHEMBL613710 | IC50 | 6.64 | 6.28 | 227.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 221.5 | nM | 6.66 | Inhibition of human leukocyte elastase after 2 mins by ELISA | 20417587 |
| Neutrophil | IC50 | = | 227.5 | nM | 6.64 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP-in... | 20417587 |
| Neutrophil elastase | IC50 | = | 612.4 | nM | 6.21 | Inhibition of human neutrophil elastase after 30 mins by ELISA | 20417587 |
| Neutrophil | IC50 | = | 1206.1 | nM | 5.92 | 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 |
Data from ChEMBL 36 via Core Engine