Compound Detail
CHEMBL5280862
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5280862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJHAGJIVBGATF-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.37
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.96 | 5.96 | 1110.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.25 | 5.25 | 5600.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of ovine COX-2 | 36325400 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of COX-2 (unknown origin) | 36696764 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of COX-2 (unknown origin) by Enzyme immune assay | 37862815 |
| Phospholipase A2, membrane associated | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of recombinant human sPLA2-V | 36325400 |
| Unchecked | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of soybean 15-LOX | 36325400 |
| Unchecked | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of soybean 15-LOX colorimetric assay | 37862815 |
| Prostaglandin G/H synthase 1 | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of ovine COX-1 | 36325400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36325400 | 10.1039/d2md00192f | Unchecked | 2 |
| 36325400 | 10.1039/d2md00192f | Prostaglandin G/H synthase 1 | 1 |
| 36325400 | 10.1039/d2md00192f | Prostaglandin G/H synthase 2 | 1 |
| 36325400 | 10.1039/d2md00192f | Phospholipase A2, membrane associated | 1 |
| 36325400 | 10.1039/d2md00192f | Rattus norvegicus | 1 |
| 36696764 | 10.1016/j.ejmech.2023.115138 | Prostaglandin G/H synthase 2 | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Prostaglandin G/H synthase 2 | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Rattus norvegicus | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine