Compound Detail
CHEMBL322045
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 | CHEMBL322045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWSZCVWFUJUURI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.86
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.29 | 7.29 | 51.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 51.29 | nM | 7.29 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 51.0 | nM | 7.29 | Tested for inhibition against Prostaglandin G/H synthase 2 | 7966148 |
| Prostaglandin G/H synthase 1 | IC50 | = | 58000.0 | nM | 4.24 | Tested for inhibition against Prostaglandin G/H synthase 1 | 7966148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 7966148 | 10.1021/jm00049a005 | Prostaglandin G/H synthase 1 | 1 |
| 7966148 | 10.1021/jm00049a005 | Prostaglandin G/H synthase 2 | 1 |
| 7966148 | 10.1021/jm00049a005 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine