Compound Detail
CHEMBL347957
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NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2-c2ccccc2)c2cccc(OCC(=O)O)c12
Basic Information
| ChEMBL ID | CHEMBL347957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWJZXUKVOVNLBZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
4.37
ALogP
5
HBA
2
HBD
111.6
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 8.22 | 7.93 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic... | 8978844 |
| Phospholipase A2, membrane associated | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assa... | 8978844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978844 | 10.1021/jm960487f | Phospholipase A2, membrane associated | 2 |
| 8978844 | 10.1021/jm960487f | Cavia porcellus | 2 |
| 8978844 | 10.1021/jm960487f | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine