Compound Detail
CHEMBL5419933
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N#C[Se]CCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4cccc(O)c4)C2O3)cc1
Basic Information
| ChEMBL ID | CHEMBL5419933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WORMAGHRPJVGPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
653.6
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.89 | 5.89 | 1290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 1290.0 | nM | 5.89 | Antiproliferative activity against ERalpha positive human MCF7 cells assessed as... | 37584263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Estrogen receptor | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Estrogen receptor beta | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Unchecked | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | MCF7 | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | T47D | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | MCF-10A | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine