Compound Detail
CHEMBL31685
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Basic Information
| ChEMBL ID | CHEMBL31685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLGSXNORTCZYDV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
4.58
ALogP
2
HBA
1
HBD
20.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 6.92 | 6.84 | 120.0 | 2 |
| Estrogen receptor CHEMBL206 | EC50 | 6.75 | 6.75 | 178.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 120.0 | nM | 6.92 | Agonist activity in transcriptional activation assay in SH-SY5Y neuroblastoma ce... | 11906280 |
| Estrogen receptor beta | EC50 | = | 174.0 | nM | 6.76 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
| Estrogen receptor | EC50 | = | 178.0 | nM | 6.75 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11906280 | 10.1021/jm015577l | Estrogen receptor beta | 3 |
| 11906280 | 10.1021/jm015577l | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine