Compound Detail
CHEMBL5190868
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Basic Information
| ChEMBL ID | CHEMBL5190868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEYNAFSYLAYPQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
2.98
ALogP
6
HBA
0
HBD
67.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.09 | 7.09 | 81.1 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.87 | 6.87 | 135.6 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.06 | 6.06 | 865.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 81.09 | nM | 7.09 | Inhibition of soybean 5-LOX | 35931005 |
| Prostaglandin G/H synthase 2 | IC50 | = | 135.59 | nM | 6.87 | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate and mea... | 35931005 |
| Prostaglandin G/H synthase 1 | IC50 | = | 865.5 | nM | 6.06 | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate and mea... | 35931005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35931005 | 10.1016/j.ejmech.2022.114597 | BV-2 | 8 |
| 35931005 | 10.1016/j.ejmech.2022.114597 | Mus musculus | 4 |
| 35931005 | 10.1016/j.ejmech.2022.114597 | Prostaglandin G/H synthase 1 | 1 |
| 35931005 | 10.1016/j.ejmech.2022.114597 | Prostaglandin G/H synthase 2 | 1 |
| 35931005 | 10.1016/j.ejmech.2022.114597 | COX-1/COX-2 | 1 |
| 35931005 | 10.1016/j.ejmech.2022.114597 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine