Compound Detail
CHEMBL4456753
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CC1(C)OB(c2ccc(CC(C#N)c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL4456753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZAAOAJHKMDFEG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 8.92 | 7.82 | 1.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 1.2 | nM | 8.92 | Activation of human ERbeta assessed as induction of transcriptional activation i... | 30967304 |
| Estrogen receptor beta | EC50 | = | 6.1 | nM | 8.21 | Activation of human ERbeta assessed as induction of transcriptional activation i... | 30967304 |
| Estrogen receptor beta | EC50 | = | 470.0 | nM | 6.33 | Activation of human ERbeta assessed as induction of transcriptional activation i... | 30967304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30967304 | 10.1016/j.bmc.2019.04.003 | No relevant target | 10 |
| 30967304 | 10.1016/j.bmc.2019.04.003 | Estrogen receptor beta | 5 |
| 30967304 | 10.1016/j.bmc.2019.04.003 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine