Compound Detail
CHEMBL4764852
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Basic Information
| ChEMBL ID | CHEMBL4764852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGRNCERJDJHCSW-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
4.02
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 CHEMBL4295754 | EC50 | 4.52 | 4.515 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 | EC50 | = | 30000.0 | nM | 4.52 | Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell... | 32920142 |
| Phospholipid hydroperoxide glutathione peroxidase GPX4 | EC50 | = | 31000.0 | nM | 4.51 | Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell... | 32920142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32920142 | 10.1016/j.bmcl.2020.127538 | Phospholipid hydroperoxide glutathione peroxidase GPX4 | 3 |
Data from ChEMBL 36 via Core Engine