Compound Detail
CHEMBL31236
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Basic Information
| ChEMBL ID | CHEMBL31236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARGUEPADMHUSFC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.54
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 6.72 | 5.925 | 191.0 | 2 |
| Estrogen receptor beta CHEMBL242 | EC50 | 6.59 | 5.96 | 257.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 191.0 | nM | 6.72 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
| Estrogen receptor beta | EC50 | = | 257.0 | nM | 6.59 | Activation of estrogen response element in HeLa cells stably transfected with hu... | 11906280 |
| Estrogen receptor beta | EC50 | = | 4710.0 | nM | 5.33 | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen recept... | 11906280 |
| Estrogen receptor | EC50 | = | 7440.0 | nM | 5.13 | 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 | 2 |
| 11906280 | 10.1021/jm015577l | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine