Compound Detail
CHEMBL381566
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Basic Information
| ChEMBL ID | CHEMBL381566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEWBKAVLKISZRR-ALTMMPCJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.5
MW (Da)
3.84
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.54 | 6.54 | 287.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 10.0 | nM | 8.0 | Effect on transactivation of ALP gene expression in HEK293 cells transfected wit... | 16309907 |
| Estrogen receptor beta | IC50 | = | 14.0 | nM | 7.85 | Binding affinity to human ERbeta | 16309907 |
| Estrogen receptor beta | EC50 | = | 24.0 | nM | 7.62 | Effect on transactivation of ALP gene expression in HEK293 cells transfected wit... | 16309907 |
| Estrogen receptor | IC50 | = | 147.0 | nM | 6.83 | Binding affinity to human ERalpha | 16309907 |
| Androgen receptor | IC50 | = | 287.0 | nM | 6.54 | Inhibitory activity against AR | 16309907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Estrogen receptor | 4 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Estrogen receptor beta | 2 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Androgen receptor | 1 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine