Compound Detail
CHEMBL116169
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Basic Information
| ChEMBL ID | CHEMBL116169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWJYCCXNWRNFJW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
5.37
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytosolic phospholipase A2 CHEMBL2304401 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytosolic phospholipase A2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of cPLA2 measuring Calcium ionophore A-23,187-induced arachidonic aci... | 9341913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9341913 | 10.1021/jm970045j | Unchecked | 1 |
| 9341913 | 10.1021/jm970045j | Cytosolic phospholipase A2 | 1 |
| 22209272 | 10.1016/j.ejmech.2011.12.009 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine