Compound Detail
CHEMBL120881
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COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C(C)(C)C)c(C(=O)C(N)=O)c12
Basic Information
| ChEMBL ID | CHEMBL120881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIRBHHPJHCWZLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.71
ALogP
6
HBA
1
HBD
100.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2 CHEMBL4426 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic ... | 8809154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809154 | 10.1021/jm960395q | Phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine