Compound Detail
CHEMBL189658
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Basic Information
| ChEMBL ID | CHEMBL189658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEFIOUDVRMACDV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.92
ALogP
5
HBA
2
HBD
90.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 8.62 | 8.62 | 2.4 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 2.4 | nM | 8.62 | Inhibitory concentration against human ER beta expressed in Escherichia coli was... | 15456246 |
| Estrogen receptor beta | IC50 | = | 2.4 | nM | 8.62 | Binding affinity to ERbeta | 17459530 |
| Estrogen receptor | IC50 | = | 138.0 | nM | 6.86 | 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 beta | 2 |
| 15456246 | 10.1021/jm049719y | Estrogen receptor | 2 |
| 17459530 | 10.1016/j.ejmech.2007.03.002 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine