Compound Detail
CHEMBL216610
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CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CCc1ccc(C(=O)c3ccccc3)cc1)[C@@]1(C)C(=O)[C@H](OC(=O)CCc3ccc(C(=O)c4ccccc4)cc3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Basic Information
| ChEMBL ID | CHEMBL216610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHEUOKHUAXLZKU-ZQKVRWDASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1017.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7R CHEMBL614327 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7R | IC50 | = | 2.6 | nM | 8.59 | Cytotoxicity was evaluated at 1 uM concentration in MCF7-R cell line when co-adm... | 9871652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871652 | 10.1016/s0960-894x(97)10218-9 | MCF7R | 2 |
Data from ChEMBL 36 via Core Engine