Compound Detail
CHEMBL218809
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Basic Information
| ChEMBL ID | CHEMBL218809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJUHMTILINLNQN-BTJLNZGRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.03
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 24.0 | nM | 7.62 | Displacement of [3H]DHT from human AR in MDA453 cells | 17181141 |
| Androgen receptor | IC50 | = | 260.0 | nM | 6.58 | Antagonist activity against rat AR transfected in mouse C2C12 cells by luciferas... | 17181141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181141 | 10.1021/jm061101w | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine