Compound Detail
CHEMBL443579
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Basic Information
| ChEMBL ID | CHEMBL443579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZNDOEVWUZFICK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
4.25
ALogP
2
HBA
0
HBD
33.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.85 | 6.435 | 140.0 | 2 |
| Progesterone receptor CHEMBL208 | IC50 | 5.02 | 5.02 | 9460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 140.0 | nM | 6.85 | Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay | 17764935 |
| Androgen receptor | IC50 | = | 955.0 | nM | 6.02 | Displacement of [3H]DHT from human recombinant AR expressed in Sf9 cells | 17764935 |
| Progesterone receptor | IC50 | = | 9460.0 | nM | 5.02 | Binding affinity at human PR | 17764935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17764935 | 10.1016/j.bmcl.2007.08.034 | Androgen receptor | 2 |
| 17764935 | 10.1016/j.bmcl.2007.08.034 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine