Compound Detail
CHEMBL31684
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Basic Information
| ChEMBL ID | CHEMBL31684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REONGODOQFAVDH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
4.12
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.89 | 7.4433 | 13.0 | 3 |
| Estrogen receptor CHEMBL206 | EC50 | 6.86 | 6.425 | 138.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 13.0 | nM | 7.89 | Agonist activity in transcriptional activation assay in SH-SY5Y neuroblastoma ce... | 11906280 |
| Estrogen receptor beta | EC50 | = | 32.0 | nM | 7.5 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
| Estrogen receptor beta | EC50 | = | 115.0 | nM | 6.94 | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen recept... | 11906280 |
| Estrogen receptor | EC50 | = | 138.0 | nM | 6.86 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
| Estrogen receptor | EC50 | = | 1030.0 | nM | 5.99 | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen recept... | 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