Compound Detail
CHEMBL183162
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 | CHEMBL183162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGDVCGLMWPOPE-KAYWLYCHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.27
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.15 | nM | 9.82 | Inhibition of MCF-7 cell proliferation | 15664843 |
| Estrogen receptor | IC50 | = | 2.4 | nM | 8.62 | Binding affinity for human estrogen receptor alpha | 15664843 |
| Estrogen receptor beta | IC50 | = | 3.6 | nM | 8.44 | Binding affinity for human estrogen receptor beta | 15664843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664843 | 10.1016/j.bmcl.2004.11.018 | Estrogen receptor | 4 |
| 15664843 | 10.1016/j.bmcl.2004.11.018 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine