Compound Detail
CHEMBL433701
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Basic Information
| ChEMBL ID | CHEMBL433701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTAAUCXCDDCOHW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
3.44
ALogP
5
HBA
2
HBD
111.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 8.1 | 7.925 | 8.0 | 2 |
| Phospholipase A2 CHEMBL4426 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human nonpancreatic secretory Phospholipase A2 through chromogenic... | 8978844 |
| Phospholipase A2, membrane associated | IC50 | = | 18.0 | nM | 7.75 | Inhibition of human nonpancreatic secretory Phospholipase A2 through DOC/PC assa... | 8978844 |
| Phospholipase A2 | IC50 | = | 780.0 | nM | 6.11 | Compound was tested for inhibition of human secreted pancreatic PLA2 | 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 |
| 8978844 | 10.1021/jm960487f | Phospholipase A2 | 1 |
Data from ChEMBL 36 via Core Engine