Compound Detail
CHEMBL4785745
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Basic Information
| ChEMBL ID | CHEMBL4785745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKPAWDGCGWRMNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
3.92
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-1080 CHEMBL614580 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-1080 | EC50 | = | 32.0 | nM | 7.5 | Inhibition of erastin-induced ferroptosis in human HT-1080 cells assessed as cel... | 33065375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33065375 | 10.1016/j.ejmech.2020.112842 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine