Compound Detail
CHEMBL4161714
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Basic Information
| ChEMBL ID | CHEMBL4161714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWXGOYRHZBYOAH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.9
MW (Da)
9.78
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 4.9 | nM | 8.31 | Displacement of Fluormone ES2 Green from full-length untagged human ERalpha expr... | 30108709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108709 | 10.1039/C6MD00553E | Estrogen receptor | 4 |
Data from ChEMBL 36 via Core Engine