Compound Detail
CHEMBL1289341
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 | CHEMBL1289341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJOBZMKBVWXAHD-RIYZIHGNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.2
MW (Da)
3.35
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL1293198 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL3334 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
| Prostaglandin G/H synthase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | Inhibition of 5-LOX in rabbit peripheral venous blood assessed as formation of L... | 21055929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Rattus norvegicus | 4 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Unchecked | 2 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 1 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 2 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine