Compound Detail
CHEMBL150461
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Basic Information
| ChEMBL ID | CHEMBL150461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGWVLJXJHQENDY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
5.08
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 30.0 | nM | 7.52 | Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce es... | 12431063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431063 | 10.1021/jm0209230 | Estrogen receptor | 3 |
| 12431063 | 10.1021/jm0209230 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine