Compound Detail
CHEMBL448454
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Basic Information
| ChEMBL ID | CHEMBL448454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAYYOXKEPZBTIZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
4.33
ALogP
3
HBA
0
HBD
33.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.52 | 7.445 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 30.0 | nM | 7.52 | Antagonist activity at human androgen receptor expressed in human MDA-MB453 cell... | 19201190 |
| Androgen receptor | IC50 | = | 43.0 | nM | 7.37 | Displacement of [3H]DHT from human cloned androgen receptor expressed in Sf9 cel... | 19201190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Androgen receptor | 2 |
| 19201190 | 10.1016/j.bmcl.2009.01.063 | Syrian golden hamster | 2 |
Data from ChEMBL 36 via Core Engine