Compound Detail
CHEMBL196583
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 | CHEMBL196583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLXVDNNULRNBGB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.1
MW (Da)
4.08
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 88.0 | nM | 7.06 | Binding affinity for human Estrogen receptor beta | 16098741 |
| Estrogen receptor | IC50 | = | 1140.0 | nM | 5.94 | Binding affinity for human Estrogen receptor alpha | 16098741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16098741 | 10.1016/j.bmcl.2005.07.008 | Estrogen receptor | 2 |
| 16098741 | 10.1016/j.bmcl.2005.07.008 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine