Compound Detail
CHEMBL3780356
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Basic Information
| ChEMBL ID | CHEMBL3780356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDVACTCODZGRJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
3.84
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6.4 | nM | 8.19 | Antiferroptotic activity in human IMR32 neuroblastoma cells assessed as inhibiti... | 26696014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26696014 | 10.1021/acs.jmedchem.5b01641 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine