Compound Detail
CHEMBL152921
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Basic Information
| ChEMBL ID | CHEMBL152921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNHFIABSJRZERZ-IWXKUNQBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
6.25
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Group VII phospholipase A2 CHEMBL3651 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Group 10 secretory phospholipase A2 CHEMBL4342 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Group VII phospholipase A2 | IC50 | = | 30.0 | nM | 7.52 | In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomer... | 8126692 |
| Group 10 secretory phospholipase A2 | IC50 | = | 120.0 | nM | 6.92 | In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micella... | 8126692 |
| Phospholipase A2, membrane associated | IC50 | = | 3800.0 | nM | 5.42 | Compound was tested for in vitro activity against S-phospholipase A2 (s-PLA2) is... | 8126692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8126692 | 10.1021/jm00031a001 | Group VII phospholipase A2 | 1 |
| 8126692 | 10.1021/jm00031a001 | Group 10 secretory phospholipase A2 | 1 |
| 8126692 | 10.1021/jm00031a001 | Phospholipase A2, membrane associated | 1 |
Data from ChEMBL 36 via Core Engine