Compound Detail
CHEMBL381294
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Basic Information
| ChEMBL ID | CHEMBL381294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBXHHCBCHPWQAO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
5.76
ALogP
5
HBA
1
HBD
92.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL3816 | IC50 | 7.96 | 7.5075 | 11.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid rele... | 16610804 |
| Cytosolic phospholipase A2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human isolated cPLA2-alpha by vesicle assay | 16610804 |
| Cytosolic phospholipase A2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of cPLA2 from human platelets by RP-HPLC | 20005725 |
| Cytosolic phospholipase A2 | IC50 | = | 370.0 | nM | 6.43 | 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 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Cytosolic phospholipase A2 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Fatty-acid amide hydrolase 1 | 1 |
| 20005725 | 10.1016/j.bmc.2009.11.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine