Compound Detail
CHEMBL5568511
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Basic Information
| ChEMBL ID | CHEMBL5568511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVTNZOVWMWHYGV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.85
ALogP
5
HBA
3
HBD
87.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 2 CHEMBL6174 | IC50 | 6.87 | 6.87 | 134.0 | 1 |
| Cytochrome c oxidase subunit 1 CHEMBL6173 | IC50 | 6.49 | 6.49 | 321.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.66 | 4.66 | 22094.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 2 | IC50 | = | 134.0 | nM | 6.87 | Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincu... | 38266553 |
| Cytochrome c oxidase subunit 1 | IC50 | = | 321.0 | nM | 6.49 | Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincu... | 38266553 |
| No relevant target | IC50 | = | 22094.0 | nM | 4.66 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 38266553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38266553 | 10.1016/j.ejmech.2024.116155 | Cytochrome c oxidase subunit 2 | 3 |
| 38266553 | 10.1016/j.ejmech.2024.116155 | No relevant target | 2 |
| 38266553 | 10.1016/j.ejmech.2024.116155 | Cytochrome c oxidase subunit 1 | 1 |
Data from ChEMBL 36 via Core Engine