Compound Detail
CHEMBL1096036
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 | CHEMBL1096036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIEIKACUUNKAQD-OTWHNJEPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.01
ALogP
4
HBA
1
HBD
53.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.55 | 5.55 | 2788.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1.47 | nM | 8.83 | Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins... | 20387815 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2788.0 | nM | 5.55 | Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins... | 20387815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20387815 | 10.1021/jm1001327 | Prostaglandin G/H synthase 2 | 6 |
| 20387815 | 10.1021/jm1001327 | Prostaglandin G/H synthase 1 | 4 |
| 20387815 | 10.1021/jm1001327 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine