Compound Detail
CHEMBL468886
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 | CHEMBL468886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZXLSMRCLDEQJR-BJMVGYQFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.80
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.59 | 5.59 | 2540.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2540.0 | nM | 5.59 | Inhibition of COX2 | 18487053 |
| Prostaglandin G/H synthase 1 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of COX1 | 18487053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18487053 | 10.1016/j.bmc.2008.04.031 | Prostaglandin G/H synthase 1 | 1 |
| 18487053 | 10.1016/j.bmc.2008.04.031 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine