Compound Detail
CHEMBL529212
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CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCCN4CCOCC4)cc3o2)cc(C(C)(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL529212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWTZROXXCNUIOX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
5.47
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | Antioxidant activity assessed as inhibition of endothelial cell-induced human LD... | 8691205 |
| NON-PROTEIN TARGET | IC50 | = | 800.0 | nM | 6.1 | 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