Compound Detail
CHEMBL5590556
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Basic Information
| ChEMBL ID | CHEMBL5590556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBNLSUFFVKPQAT-SPMBKGGMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
5.39
ALogP
5
HBA
3
HBD
111.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 4.68 | 4.68 | 20660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1540.0 | nM | 5.81 | Inhibition of elastase release in fMLP/CB-induced human neutrophils by cell base... | 37939864 |
| Neutrophil | IC50 | = | 1610.0 | nM | 5.79 | Inhibition of O2 generation in fMLP/CB-induced human neutrophils by cell based a... | 37939864 |
| Neutrophil elastase | IC50 | = | 20660.0 | nM | 4.68 | Inhibition of human neutrophil elastase by enzymatic assay | 37939864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37939864 | 10.1016/j.bmcl.2023.129544 | Neutrophil elastase | 1 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | Neutrophil | 1 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine