Compound Detail
CHEMBL187311
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 | CHEMBL187311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAKNYSRJFRSEFB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.1
MW (Da)
3.98
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 9.0 | 8.925 | 1.0 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of estrogen receptor beta | 18357974 |
| Estrogen receptor beta | IC50 | = | 1.4 | nM | 8.85 | Inhibitory concentration against human ER beta expressed in Escherichia coli was... | 15456246 |
| Estrogen receptor | IC50 | = | 44.0 | nM | 7.36 | Inhibitory concentration against human ER alpha expressed in Escherichia coli wa... | 15456246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456246 | 10.1021/jm049719y | Estrogen receptor | 2 |
| 15456246 | 10.1021/jm049719y | Estrogen receptor beta | 1 |
| 18357974 | 10.1021/jm701314u | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine