Compound Detail
CHEMBL217200
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CN(C)c1ccc([Te]CC2O[C@@H]3O[C@@H]4C(CO)O[C@H](O[C@@H]5C(CO)O[C@H](O[C@@H]6C(CO)O[C@@H](O[C@@H]7C(CO)O[C@H](O[C@@H]8C(CO)O[C@H](O[C@@H]9C(CO)O[C@H](O[C@H]2C(O)C3O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)cc1
Basic Information
| ChEMBL ID | CHEMBL217200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBHNLIZQBDYBFB-YRSABBLWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1365.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thioredoxin reductase CHEMBL2096978 | IC50 | 6.58 | 6.025 | 260.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thioredoxin reductase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of thioredoxin reductase | 14695837 |
| Thioredoxin reductase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of thioredoxin reductase in the presence of thioredoxinand insulin | 14695837 |
| MCF7 | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of growth of MCF-7 breast cancer cells in culture | 14695837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695837 | 10.1021/jm030916r | Thioredoxin reductase | 2 |
| 14695837 | 10.1021/jm030916r | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine