Compound Detail
CHEMBL477549
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CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)C(F)(F)F)cccc2n1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL477549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTOVXPOPSBJVNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.5
MW (Da)
2.90
ALogP
7
HBA
2
HBD
137.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group 10 secretory phospholipase A2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human group2X phospholipase A2 fluorimetric assay | 18605714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18605714 | 10.1021/jm800422v | Group 10 secretory phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine