Compound Detail
CHEMBL2104447
TRIOXIFENE MESYLATE Enter ChEMBL ID:
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COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1.CS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL2104447 |
| Name | TRIOXIFENE MESYLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAHJASYQAFJPFD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL110057 |
| Active Moiety | CHEMBL110057 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names
Molecular Properties
453.6
MW (Da)
5.91
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2724 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 1.7 | nM | 8.77 | Displacement of [2,4,6,7-3H]-estradiol from estrogen receptor in immature rat ut... | 490541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 490541 | 10.1021/jm00194a015 | Mus musculus | 15 |
| 490541 | 10.1021/jm00194a015 | Rattus norvegicus | 13 |
| 490541 | 10.1021/jm00194a015 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine