Compound Detail
CHEMBL434346
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Basic Information
| ChEMBL ID | CHEMBL434346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBALQCXJSKOKLW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
5.48
ALogP
5
HBA
1
HBD
39.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.7 | 7.425 | 19.8 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.66 | 5.585 | 2182.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 19.82 | nM | 7.7 | Inhibition of transcriptional activation by human estrogen receptor alpha | 15686893 |
| Estrogen receptor | IC50 | = | 70.96 | nM | 7.15 | Inhibition of binding to human estrogen receptor alpha | 15686893 |
| Estrogen receptor beta | IC50 | = | 2182.73 | nM | 5.66 | Inhibition of transcriptional activation by human estrogen receptor beta | 15686893 |
| Estrogen receptor beta | IC50 | = | 3111.72 | nM | 5.51 | Inhibition of binding to human estrogen receptor beta | 15686893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686893 | 10.1016/j.bmcl.2004.12.048 | Estrogen receptor | 4 |
| 15686893 | 10.1016/j.bmcl.2004.12.048 | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine