Compound Detail
CHEMBL199238
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Basic Information
| ChEMBL ID | CHEMBL199238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUHGPRDTZYLKEH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
5.17
ALogP
5
HBA
3
HBD
78.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Ki 1 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3056 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 5.93 | 5.93 | 1170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 7.6 | nM | 8.12 | Androgen antagonistic activity as inhibitory concentration against testosterone-... | 16019211 |
| Androgen receptor | Ki | = | 1170.0 | nM | 5.93 | Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]test... | 16019211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Androgen receptor | 2 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Vitamin D3 receptor | 1 |
| 16019211 | 10.1016/j.bmcl.2005.06.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine