Compound Detail
CHEMBL427533
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Basic Information
| ChEMBL ID | CHEMBL427533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGNQTZLLWXMKLT-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
29.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.26 | 6.995 | 55.0 | 2 |
| Estrogen receptor CHEMBL2093866 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.75 | 6.56 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 55.0 | nM | 7.26 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 15658851 |
| Estrogen receptor | IC50 | = | 55.0 | nM | 7.26 | Inhibition of estrogen-mediated human breast adenocarcinoma (MCF-7) cell prolife... | 15658851 |
| Estrogen receptor beta | IC50 | = | 180.0 | nM | 6.75 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 15658851 |
| Estrogen receptor | IC50 | = | 185.0 | nM | 6.73 | Inhibition of [3H]estradiol binding to human estrogen receptor alpha expressed i... | 15658851 |
| Estrogen receptor beta | IC50 | = | 428.0 | nM | 6.37 | Inhibition of [3H]estradiol binding to human estrogen receptor beta expressed in... | 15658851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658851 | 10.1021/jm040858p | Estrogen receptor | 4 |
| 15658851 | 10.1021/jm040858p | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine