Compound Detail
CHEMBL5174073
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Basic Information
| ChEMBL ID | CHEMBL5174073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTYUDVOWOWVZSA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
4.47
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Cytochrome c oxidase subunit 2 CHEMBL1250404 | IC50 | 8.15 | 8.15 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.07 | nM | 8.68 | Inhibition of soy 15-LOX enzyme immunoassay | 34029774 |
| Prostaglandin G/H synthase 2 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of COX-2 (unknown origin) by Enzyme immune assay | 37862815 |
| Cytochrome c oxidase subunit 2 | IC50 | = | 7.15 | nM | 8.15 | Inhibition of ovine COX-2 colorimetric enzyme immunoassay | 34029774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34029774 | 10.1016/j.ejmech.2021.113493 | Cytochrome c oxidase subunit 2 | 1 |
| 34029774 | 10.1016/j.ejmech.2021.113493 | Unchecked | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine