Compound Detail
CHEMBL5591524
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Basic Information
| ChEMBL ID | CHEMBL5591524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQMUTHMWCBAHNQ-VMPITWQZSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
1.65
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.29 | 5.29 | 5170.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 4.54 | 4.54 | 28860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 5170.0 | nM | 5.29 | Antioxidant activity assessed as ABTS radical scavenging activity incubated in d... | 37976709 |
| HT-22 | EC50 | = | 28860.0 | nM | 4.54 | Anti-ferroptotic activity in erastin-induced ferroptosis in mouse HT-22 cells as... | 37976709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976709 | 10.1016/j.ejmech.2023.115945 | No relevant target | 10 |
| 37976709 | 10.1016/j.ejmech.2023.115945 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine