Compound Detail
CHEMBL219198
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Basic Information
| ChEMBL ID | CHEMBL219198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNZKQMPKMHVAZ-YMTOWFKASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
1.65
ALogP
5
HBA
1
HBD
104.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Androgen receptor CHEMBL3072 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 1.5 | nM | 8.82 | Displacement of [3H]DHT from human AR in MDA453 cells | 17181141 |
| Androgen receptor | EC50 | = | 320.0 | nM | 6.5 | Agonist activity at rat AR transfected in mouse C2C12 cells by luciferase report... | 17181141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181141 | 10.1021/jm061101w | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine