Compound Detail
CHEMBL4443826
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Oc1ccc2c(c1)C1=C(c3cc(O)ccc3OCC1)C(c1ccc(OCCN3CC(CF)C3)cc1)O2
Basic Information
| ChEMBL ID | CHEMBL4443826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVWZAWLMXSJSPU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.5
MW (Da)
5.20
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.62 | 9.055 | 0.2 | 2 |
| MCF7 CHEMBL387 | IC50 | 9.1 | 8.55 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.24 | nM | 9.62 | Induction of ERalpha degradation in human MCF7 cells after 4 hrs by Alexafluor-4... | 30732944 |
| MCF7 | IC50 | = | 0.8 | nM | 9.1 | Antiproliferative activity against human MCF7 cells after 3 days by CellTiter-Gl... | 30732944 |
| Estrogen receptor | IC50 | = | 3.2 | nM | 8.49 | Induction of ERalpha degradation in human MCF7 cells after 4 hrs by Alexafluor-4... | 30732944 |
| MCF7 | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against human MCF7 cells after 3 days by CellTiter-Gl... | 30732944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30732944 | 10.1016/j.bmcl.2019.01.036 | Estrogen receptor | 4 |
| 30732944 | 10.1016/j.bmcl.2019.01.036 | MCF7 | 2 |
Data from ChEMBL 36 via Core Engine