Compound Detail
CHEMBL381067
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Cc1c(CCOc2ccc(CCCC(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL381067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRUBTCKCSUPSGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.1
MW (Da)
8.27
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of cytosolic phospholipase A2-alpha in GLU micelle assay | 16392799 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of TXB2 production in Sprague-Dawley rat whole blood | 16392799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392799 | 10.1021/jm0507882 | Cytosolic phospholipase A2 | 1 |
| 16392799 | 10.1021/jm0507882 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine