Compound Detail
CHEMBL522267
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Basic Information
| ChEMBL ID | CHEMBL522267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTTDILLURMJUFE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.9
MW (Da)
6.83
ALogP
3
HBA
0
HBD
0.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2860 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptad... | 19097798 |
| Prostaglandin G/H synthase 2 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of COX2 in LPS-stimulated human blood | 19097798 |
| NON-PROTEIN TARGET | IC50 | = | 100000.0 | nM | 4.0 | Antioxidant activity assessed as hydroxyl radical scavenging activity | 19097798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 1 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Prostaglandin G/H synthase 2 | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | Unchecked | 1 |
| 19097798 | 10.1016/j.bmc.2008.11.074 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine