Compound Detail
CHEMBL204389
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 | CHEMBL204389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTRGSZVOULSZGL-IUQAPEEWSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
3.81
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.23
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 6.23 | 6.23 | 583.0 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 6.08 | 6.08 | 827.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.89 | 5.89 | 1299.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.34 | 5.34 | 4617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 583.0 | nM | 6.23 | Effect on transactivation of ALP gene expression in HEK293 cells transfected wit... | 16309907 |
| Estrogen receptor beta | EC50 | = | 827.0 | nM | 6.08 | Effect on transactivation of ALP gene expression in HEK293 cells transfected wit... | 16309907 |
| Estrogen receptor beta | IC50 | = | 1299.0 | nM | 5.89 | Binding affinity to human ERbeta | 16309907 |
| Androgen receptor | IC50 | = | 4617.0 | nM | 5.34 | Inhibitory activity against AR | 16309907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Estrogen receptor | 4 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Estrogen receptor beta | 2 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Androgen receptor | 1 |
| 16309907 | 10.1016/j.bmcl.2005.11.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine