Compound Detail
CHEMBL5570102
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Basic Information
| ChEMBL ID | CHEMBL5570102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQLDKEHGDASXAI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.59
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | EC50 | 7.37 | 7.235 | 42.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | EC50 | = | 42.4 | nM | 7.37 | Anti-ferroptotic activity in human HT-1080 cells assessed as cell viability incu... | 37950965 |
| HT-1080 | EC50 | = | 79.6 | nM | 7.1 | Anti-ferroptotic activity in human HT-1080 cells assessed as cell viability incu... | 37950965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37950965 | 10.1016/j.ejmech.2023.115913 | HT-1080 | 2 |
Data from ChEMBL 36 via Core Engine