Compound Detail
CHEMBL4290786
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Basic Information
| ChEMBL ID | CHEMBL4290786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZPZHWTUNATHL-NEPJUHHUSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
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 5 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.29 | 6.9067 | 51.0 | 3 |
| Estrogen receptor CHEMBL206 | EC50 | 6.7 | 6.14 | 199.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 51.0 | nM | 7.29 | Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell bas... | 30144697 |
| Estrogen receptor beta | EC50 | = | 66.0 | nM | 7.18 | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown ... | 30144697 |
| Estrogen receptor | EC50 | = | 199.0 | nM | 6.7 | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown... | 30144697 |
| Estrogen receptor beta | EC50 | = | 566.0 | nM | 6.25 | Agonist activity at ERbeta (unknown origin) ligand binding domain assessed as fl... | 30144697 |
| Estrogen receptor | EC50 | = | 2660.0 | nM | 5.58 | Agonist activity at ERalpha (unknown origin) ligand binding domain assessed as f... | 30144697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Estrogen receptor | 5 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Estrogen receptor beta | 5 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Unchecked | 3 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Vitamin D3 receptor | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Thyroid hormone receptor beta | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Progesterone receptor | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Peroxisome proliferator-activated receptor delta | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Mineralocorticoid receptor | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Glucocorticoid receptor | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine