Compound Detail
CHEMBL3114661
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Basic Information
| ChEMBL ID | CHEMBL3114661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTCKSPVFQVUTAT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.7
MW (Da)
4.82
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.52 | 4.52 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay | 24531199 |
| Prostaglandin G/H synthase 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachi... | 25768707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24531199 | 10.1016/j.ejmech.2013.12.023 | Prostaglandin G/H synthase 1 | 2 |
| 25768707 | 10.1016/j.ejmech.2015.02.049 | Prostaglandin G/H synthase 1 | 2 |
| 24531199 | 10.1016/j.ejmech.2013.12.023 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine