Compound Detail
CHEMBL2403348
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 | CHEMBL2403348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPXDZYWOCIIVMM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
4.70
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 43.0 | nM | 7.37 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
| Estrogen receptor | IC50 | = | 98.0 | nM | 7.01 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Androgen receptor | IC50 | = | 5400.0 | nM | 5.27 | Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestostero... | 23768907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor beta | 2 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor | 2 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Androgen receptor | 1 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine