Compound Detail
CHEMBL5437045
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CCN(c1ccccc1F)S(=O)(=O)C1CC2OC1C(c1ccc(NC(=O)CCCCC[Se]C#N)cc1)=C2c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL5437045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVNVQSFVXDRGGF-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
682.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.84 | 5.6367 | 1440.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| MCF-10A CHEMBL614321 | IC50 | 4.74 | 4.74 | 18310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 90.0 | nM | 7.05 | Antiproliferative activity against ERalpha positive human MCF7 cells assessed as... | 37584263 |
| T47D | IC50 | = | 1440.0 | nM | 5.84 | Antiproliferative activity against human T47D cells harboring ERalpha Y537S muta... | 37584263 |
| T47D | IC50 | = | 2820.0 | nM | 5.55 | Antiproliferative activity against ERalpha positive human T47D cells assessed as... | 37584263 |
| Unchecked | IC50 | = | 2810.0 | nM | 5.55 | Antiproliferative activity against human Tamoxifen-resistant LCC2 cells assessed... | 37584263 |
| T47D | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against human T47D cells harboring ERalpha D538G muta... | 37584263 |
| MDA-MB-231 | IC50 | = | 3700.0 | nM | 5.43 | Antiproliferative activity against ERalpha negative human MDA-MB-231 cells asses... | 37584263 |
| MCF-10A | IC50 | = | 18310.0 | nM | 4.74 | Cytotoxicity against human MCF-10A cells assessed as inhibition of cell prolifer... | 37584263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Estrogen receptor | 9 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Unchecked | 6 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | ADMET | 5 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Tubulin | 5 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | MCF7 | 4 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | T47D | 3 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | Estrogen receptor beta | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | MCF-10A | 1 |
| 37584263 | 10.1021/acs.jmedchem.3c00465 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine