Compound Detail
CHEMBL1172305
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Basic Information
| ChEMBL ID | CHEMBL1172305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOZKZFIIXMXHME-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.7
MW (Da)
3.65
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 7.51 | 7.395 | 30.8 | 2 |
| Neutrophil CHEMBL613710 | IC50 | 7.11 | 5.87 | 77.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 30.8 | nM | 7.51 | Inhibition of human leukocyte elastase after 2 mins by ELISA | 20417587 |
| Neutrophil elastase | IC50 | = | 52.7 | nM | 7.28 | Inhibition of human neutrophil elastase after 30 mins by ELISA | 20417587 |
| Neutrophil | IC50 | = | 77.1 | nM | 7.11 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP-in... | 20417587 |
| Neutrophil | IC50 | = | 23393.8 | nM | 4.63 | 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