Compound Detail
CHEMBL5271368
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Basic Information
| ChEMBL ID | CHEMBL5271368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBTALUNCVHPQQK-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.05
ALogP
3
HBA
1
HBD
33.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | IC50 | = | 76000.0 | nM | 4.12 | Induction of ferroptosis in human HT-1080 cells assessed as inhibition of (cysti... | 36332549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36332549 | 10.1016/j.ejmech.2022.114861 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine