Compound Detail
CHEMBL452504
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CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCC(=O)[O-])cc3o2)cc(C(C)(C)C)c1O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL452504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUQATLKIWBGILC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL507729 |
| Active Moiety | CHEMBL507729 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.22
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 100.0 | nM | 7.0 | 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 | 1 |
Data from ChEMBL 36 via Core Engine