Compound Detail
CHEMBL4159672
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Basic Information
| ChEMBL ID | CHEMBL4159672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCBXXZXJPBPEQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.0
MW (Da)
3.87
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 4.41 | 4.41 | 39400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 39400.0 | nM | 4.41 | Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive bindin... | 29348811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29348811 | 10.1021/acsmedchemlett.7b00431 | MCF7 | 4 |
| 29348811 | 10.1021/acsmedchemlett.7b00431 | Estrogen receptor | 2 |
| 29348811 | 10.1021/acsmedchemlett.7b00431 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine