Compound Detail
CHEMBL443834
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Basic Information
| ChEMBL ID | CHEMBL443834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXDZVUAKVFVDSL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
6.29
ALogP
7
HBA
1
HBD
104.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 9.05 | 7.8867 | 0.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid rele... | 16610804 |
| Cytosolic phospholipase A2 | IC50 | = | 4.3 | nM | 8.37 | Inhibition of human isolated cPLA2-alpha by vesicle assay | 16610804 |
| Cytosolic phospholipase A2 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid re... | 16610804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610804 | 10.1021/jm051243a | Cytosolic phospholipase A2 | 3 |
Data from ChEMBL 36 via Core Engine