Compound Detail
CHEMBL479251
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL479251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHHHCTZAZHLGJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
547.6
MW (Da)
3.44
ALogP
7
HBA
2
HBD
137.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group IID secretory phospholipase A2 CHEMBL4281 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group IID secretory phospholipase A2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human group2D phospholipase A2 by [3H]oleic acid-labeled Escherich... | 18605714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18605714 | 10.1021/jm800422v | Phospholipase A2 | 2 |
| 18605714 | 10.1021/jm800422v | Phospholipase A2, membrane associated | 2 |
| 18605714 | 10.1021/jm800422v | Group IID secretory phospholipase A2 | 2 |
| 18605714 | 10.1021/jm800422v | Group IIE secretory phospholipase A2 | 2 |
| 18605714 | 10.1021/jm800422v | Group IIF secretory phospholipase A2 | 2 |
| 18605714 | 10.1021/jm800422v | Phospholipase A2 group V | 2 |
| 18605714 | 10.1021/jm800422v | Group 10 secretory phospholipase A2 | 2 |
| 18605714 | 10.1021/jm800422v | Group 3 secretory phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine