Compound Detail
CHEMBL293599
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 | CHEMBL293599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDOVQLQJVRIWQB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.20
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Ki | = | 65.0 | nM | 7.19 | Binding affinity for estrogen receptor beta | 12749895 |
| Estrogen receptor | Ki | = | 170.0 | nM | 6.77 | Binding affinity for estrogen receptor alpha | 12749895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor | 1 |
| 12749895 | 10.1016/s0960-894x(03)00306-8 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine