Compound Detail
CHEMBL5596498
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Basic Information
| ChEMBL ID | CHEMBL5596498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLDFXRKVKYDLAL-HGFFDCOOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.81
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 5.37 | 5.37 | 4270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of elastase release in fMLP/CB-induced human neutrophils by cell base... | 37939864 |
| Neutrophil | IC50 | = | 4270.0 | nM | 5.37 | Inhibition of O2 generation in fMLP/CB-induced human neutrophils by cell based a... | 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