Compound Detail
CHEMBL469574
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Basic Information
| ChEMBL ID | CHEMBL469574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOLUFPJCRSHVKK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
2.95
ALogP
4
HBA
1
HBD
91.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of COX2 in mouse peritoneal macrophages | 19286379 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of calcimycin-induced COX1 activity | 19286379 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of COX1 in mouse peritoneal macrophages | 19286379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Rattus norvegicus | 4 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Prostaglandin G/H synthase 1 | 2 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Unchecked | 1 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Prostaglandin G/H synthase 2 | 1 |
| 31385704 | 10.1021/acs.jmedchem.9b00875 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine