Compound Detail
CHEMBL195216
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Basic Information
| ChEMBL ID | CHEMBL195216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQMHXNWJGFZDKE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
5.07
ALogP
4
HBA
1
HBD
29.9
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 7.42 | 7.305 | 38.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.76 | 6.58 | 173.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of estrogen-mediated human breast adenocarcinoma (MCF-7) cell prolife... | 15658851 |
| Estrogen receptor | IC50 | = | 38.0 | nM | 7.42 | Inhibition of [3H]estradiol binding to human estrogen receptor alpha expressed i... | 15658851 |
| Estrogen receptor | IC50 | = | 64.0 | nM | 7.19 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 15658851 |
| Estrogen receptor beta | IC50 | = | 173.0 | nM | 6.76 | Inhibition of [3H]estradiol binding to human estrogen receptor beta expressed in... | 15658851 |
| Estrogen receptor beta | IC50 | = | 399.0 | nM | 6.4 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 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