Compound Detail
CHEMBL191646
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
Basic Information
| ChEMBL ID | CHEMBL191646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYTXFAONXOFVQE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
483.7
MW (Da)
5.70
ALogP
5
HBA
2
HBD
50.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.66 | 7.205 | 21.8 | 2 |
| Estrogen receptor CHEMBL2093866 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.56 | 6.225 | 276.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 21.8 | nM | 7.66 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 15658851 |
| Estrogen receptor | IC50 | = | 52.0 | nM | 7.28 | Inhibition of estrogen-mediated human breast adenocarcinoma (MCF-7) cell prolife... | 15658851 |
| Estrogen receptor | IC50 | = | 177.0 | nM | 6.75 | Inhibition of [3H]estradiol binding to human estrogen receptor alpha expressed i... | 15658851 |
| Estrogen receptor beta | IC50 | = | 276.0 | nM | 6.56 | Inhibition of 17-beta-estradiol mediated luciferase transcription in HeLa cells ... | 15658851 |
| Estrogen receptor beta | IC50 | = | 1285.0 | nM | 5.89 | 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