Compound Detail
CHEMBL57150
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 | CHEMBL57150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTWQEZPGFVTNAW-CWRNSKLLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.21
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 75.0 | nM | 7.12 | In vitro binding affinity for estrogen receptor beta | 12749898 |
| Estrogen receptor | IC50 | = | 550.0 | nM | 6.26 | 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