Compound Detail
CHEMBL88762
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CCCCCCCCCCCC(=O)c1c(C(=O)O)n(Cc2ccc(/C=C/C(=O)O)cc2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL88762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBOSYARKJNTTR-QZQOTICOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
7.59
ALogP
4
HBA
2
HBD
96.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL2304401 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 4100.0 | nM | 5.39 | Inhibitory activity against cPLA2 (cytosolic Phospholipase A2) by measuring the ... | 9276015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9276015 | 10.1021/jm960863w | Bos taurus | 1 |
| 9276015 | 10.1021/jm960863w | Cytosolic phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine