Compound Detail
CHEMBL3330295
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Basic Information
| ChEMBL ID | CHEMBL3330295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOEPVRRQRZJIPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
4.16
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver microsome CHEMBL2367428 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver microsome | IC50 | = | 14.0 | nM | 7.85 | Inhibition of lipid peroxidation in rat liver microsomes | 25126713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36913882 | 10.1016/j.bmc.2023.117214 | MCF7 | 3 |
| 36913882 | 10.1016/j.bmc.2023.117214 | PC-3 | 2 |
| 25126713 | 10.1016/j.bmc.2014.07.016 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine