Compound Detail
CHEMBL292185
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Basic Information
| ChEMBL ID | CHEMBL292185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVEUNJHCBSAFKG-CYYJNZCTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.0
MW (Da)
6.28
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Anti-estrogen binding site (AEBS) CHEMBL612409 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Anti-estrogen binding site (AEBS) | IC50 | = | 32.0 | nM | 7.5 | Displacement of [3H]tamoxifen from antiestrogen binding site (AEBS) | 2909731 |
| Estrogen receptor | IC50 | = | 3000.0 | nM | 5.52 | Displacement of [3H]-estradiol from estrogen receptor (ER) | 2909731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2909731 | 10.1021/jm00121a035 | Estrogen receptor | 2 |
| 2909731 | 10.1021/jm00121a035 | Anti-estrogen binding site (AEBS) | 2 |
| 2909731 | 10.1021/jm00121a035 | MCF7S | 1 |
Data from ChEMBL 36 via Core Engine