Compound Detail
CHEMBL415864
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 | CHEMBL415864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKNFKDYCAQZYBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.69
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.49
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2094114 | EC50 | 8.49 | 8.49 | 3.2 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 3.2 | nM | 8.49 | In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cys... | 3385736 |
| Estrogen receptor | IC50 | = | 150.0 | nM | 6.82 | Antiestrogenic activity in MCF-7-2a cells as concentration required to reduce es... | 12431063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431063 | 10.1021/jm0209230 | Estrogen receptor | 3 |
| 3385736 | 10.1021/jm00402a037 | Estrogen receptor | 2 |
| 12431063 | 10.1021/jm0209230 | Mus musculus | 1 |
| 24708493 | 10.1021/jm500268j | Estrogen receptor | 1 |
| 24708493 | 10.1021/jm500268j | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine