Compound Detail
CHEMBL488415
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CCOC(=O)C(C)(C)Oc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1
Basic Information
| ChEMBL ID | CHEMBL488415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHZNJIJIPAKQAK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
6.48
ALogP
6
HBA
1
HBD
86.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.3 | 5.91 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 500.0 | nM | 6.3 | Antioxidant activity assessed as inhibition of endothelial cell-induced human LD... | 8691205 |
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Antioxidant activity assessed as inhibition of copper-induced human LDL oxidatio... | 8691205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691205 | 10.1021/np50126a006 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine