Compound Detail
CHEMBL182404
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
C[C@H]1CCN([C@@H](C)COc2ccc([C@@H]3Oc4ccc(O)cc4S[C@@H]3c3ccc(O)cc3)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL182404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQIHZXMANDEWIH-UXHLOXSISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.17
ALogP
6
HBA
2
HBD
62.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for ... | 15993065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993065 | 10.1016/j.bmcl.2005.05.089 | Estrogen receptor beta | 1 |
| 15993065 | 10.1016/j.bmcl.2005.05.089 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine