Compound Detail
CHEMBL1208076
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Basic Information
| ChEMBL ID | CHEMBL1208076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVVCSFQRAXVPGT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.96
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 170.0 | nM | 6.77 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Estrogen receptor beta | IC50 | = | 270.0 | nM | 6.57 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor beta | 2 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine