Compound Detail
CHEMBL5440123
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Basic Information
| ChEMBL ID | CHEMBL5440123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSBYNHUAUWEEIR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
298.8
MW (Da)
4.26
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | IC50 | = | 15600.0 | nM | 4.81 | Cytotoxicity against human Huh-7 cells assessed as cell growth inhibition incuba... | 38107180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38107180 | 10.1039/d3md00440f | Huh-7 | 1 |
| 38107180 | 10.1039/d3md00440f | HCT-116 | 1 |
| 38107180 | 10.1039/d3md00440f | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine