Compound Detail
CHEMBL294889
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 | CHEMBL294889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIFNRNIQJKFLP-YTPLPTRZSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.80
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.07
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 20.0 | nM | 7.7 | Percent agonistic activity for estrogen-induced pS2 expression in MCF-7 cells | 12749898 |
| Estrogen receptor beta | IC50 | = | 850.0 | nM | 6.07 | In vitro binding affinity for estrogen receptor beta | 12749898 |
| Estrogen receptor | IC50 | = | 3200.0 | nM | 5.5 | In vitro binding affinity for estrogen receptor alpha | 12749898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749898 | 10.1016/s0960-894x(03)00307-x | Estrogen receptor | 4 |
| 12749898 | 10.1016/s0960-894x(03)00307-x | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine