Compound Detail
CHEMBL4278672
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Basic Information
| ChEMBL ID | CHEMBL4278672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZPZHWTUNATHL-VXGBXAGGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
3.05
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.55 | 7.435 | 28.0 | 2 |
| Estrogen receptor CHEMBL206 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 28.0 | nM | 7.55 | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown ... | 30144697 |
| Estrogen receptor beta | EC50 | = | 48.0 | nM | 7.32 | Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell bas... | 30144697 |
| Estrogen receptor | EC50 | = | 61.0 | nM | 7.21 | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown... | 30144697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Estrogen receptor | 3 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Estrogen receptor beta | 3 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine