Compound Detail
CHEMBL59438
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 | CHEMBL59438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEKOFPJLRLFURL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.31
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 6.51 | 6.51 | 310.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.75 | 5.75 | 1775.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Ki | = | 35.0 | nM | 7.46 | Binding affinity for estrogen receptor beta | 12749895 |
| Estrogen receptor beta | IC50 | = | 171.0 | nM | 6.77 | Binding affinity for human Estrogen receptor beta | 16098741 |
| Estrogen receptor | Ki | = | 310.0 | nM | 6.51 | Binding affinity for estrogen receptor alpha | 12749895 |
| Estrogen receptor | IC50 | = | 1775.0 | nM | 5.75 | 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 |
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor | 1 |
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor beta | 1 |
| 16098741 | 10.1016/j.bmcl.2005.07.008 | Estrogen receptor beta | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine