Compound Detail
CHEMBL185890
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Basic Information
| ChEMBL ID | CHEMBL185890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYWKBSCMVNKPTK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.2
MW (Da)
2.78
ALogP
5
HBA
2
HBD
90.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 6.58 | 6.58 | 264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against human ER beta expressed in Escherichia coli was... | 15456246 |
| Estrogen receptor beta | IC50 | = | 12.0 | nM | 7.92 | Binding affinity to ERbeta | 17459530 |
| Estrogen receptor | IC50 | = | 264.0 | nM | 6.58 | Inhibitory concentration against human ER alpha expressed in Escherichia coli wa... | 15456246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456246 | 10.1021/jm049719y | Estrogen receptor | 2 |
| 15456246 | 10.1021/jm049719y | Estrogen receptor beta | 1 |
| 17459530 | 10.1016/j.ejmech.2007.03.002 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine