Compound Detail
CHEMBL425941
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 | CHEMBL425941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQAAFMHURYSEED-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
3.46
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.51
EC50 1 meas. best 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 4.93 | 4.93 | 11685.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.51 | 4.51 | 30661.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 11685.0 | nM | 4.93 | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase as... | 16610787 |
| Estrogen receptor beta | IC50 | = | 30661.0 | nM | 4.51 | Displacement of [3H]estrone from ER beta | 16610787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16610787 | 10.1021/jm0509389 | Estrogen receptor | 3 |
| 16610787 | 10.1021/jm0509389 | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine