Compound Detail
CHEMBL5571619
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Cc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@@]1(C)C(C)(C)CCC[C@@]1(C)O2
Basic Information
| ChEMBL ID | CHEMBL5571619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUNOFYLSQXUQTK-RRPNLBNLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
6.09
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 5.42 | 5.33 | 3800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... | 37683361 |
| Neutrophil | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ... | 37683361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37683361 | 10.1016/j.ejmech.2023.115791 | Neutrophil | 2 |
Data from ChEMBL 36 via Core Engine