Compound Detail
CHEMBL4451300
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COc1ccc2c(c1)C(C)=C(c1ccc(F)cc1)[C@H](c1ccc(OCCN3CC(CF)C3)cc1)O2
Basic Information
| ChEMBL ID | CHEMBL4451300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAUTYXZJWZRUQM-LJAQVGFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.18
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 15.0 | nM | 7.82 | Induction of ERalpha degradation in human MCF7 cells after 4 hrs by FITC/Hoechst... | 31311734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31311734 | 10.1016/j.bmcl.2019.07.013 | Estrogen receptor | 2 |
| 31311734 | 10.1016/j.bmcl.2019.07.013 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine