Compound Detail
CHEMBL448124
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CCCCCCCCCCCC(=O)c1c(O)c(C(=O)CCCCCCCCCCC)c(O)c([C@H]2C[C@@H](c3ccc(O)cc3)Oc3cc(O)ccc32)c1O
Basic Information
| ChEMBL ID | CHEMBL448124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEJAYJCUSZHYDS-LFGICVIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
731.0
MW (Da)
12.08
ALogP
8
HBA
5
HBD
144.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3686 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 70.0 | nM | 7.16 | Inhibition of rat sPLA2 group 2A | 18818074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18818074 | 10.1016/j.bmcl.2008.09.041 | Phospholipase A2, membrane associated | 1 |
Data from ChEMBL 36 via Core Engine