Compound Detail
CHEMBL4758051
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Basic Information
| ChEMBL ID | CHEMBL4758051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJPJVSGWICKDQC-ZHACJKMWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.3
MW (Da)
3.96
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 CHEMBL4295754 | EC50 | 4.75 | 4.735 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 | EC50 | = | 18000.0 | nM | 4.75 | Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell... | 32920142 |
| Phospholipid hydroperoxide glutathione peroxidase GPX4 | EC50 | = | 19000.0 | nM | 4.72 | 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