Compound Detail
CHEMBL260708
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CCCCCCCCc1ccc(OCC(=O)COc2ccc3c(c2)cc(C(=O)O)n3CCCCCC(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL260708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBZUXBDEBKCFMN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
6.91
ALogP
6
HBA
2
HBD
115.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 6.3 | 6.26 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as l... | 18321717 |
| Cytosolic phospholipase A2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human platelet cPLA2-alpha activity | 18321717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321717 | 10.1016/j.bmc.2008.02.019 | Cytosolic phospholipase A2 | 2 |
| 18321717 | 10.1016/j.bmc.2008.02.019 | Liver | 1 |
| 18321717 | 10.1016/j.bmc.2008.02.019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine