Compound Detail
CHEMBL5618916
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Basic Information
| ChEMBL ID | CHEMBL5618916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOVPWNXJGAYKEI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
2.39
ALogP
9
HBA
1
HBD
67.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
Kd 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 CHEMBL4295754 | Kd | 6.94 | 6.94 | 114.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.54 | 4.54 | 28700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipid hydroperoxide glutathione peroxidase GPX4 | Kd | = | 114.0 | nM | 6.94 | Binding affinity to GPX4 (unknown origin) assessed as dissociation constant by s... | 39096818 |
| HT-1080 | EC50 | = | 28700.0 | nM | 4.54 | Reversal of erastin induced cell death in human HT-1080 cells assessed as cell v... | 39096818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39096818 | 10.1016/j.ejmech.2024.116721 | HT-1080 | 1 |
| 39096818 | 10.1016/j.ejmech.2024.116721 | Phospholipid hydroperoxide glutathione peroxidase GPX4 | 1 |
Data from ChEMBL 36 via Core Engine