Compound Detail
CHEMBL48159
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Basic Information
| ChEMBL ID | CHEMBL48159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDSWNDMHSBZXKX-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.1
MW (Da)
2.70
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 7.78 | 7.78 | 16.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]-MIB from cytosolic Androgen receptor derived from Sprague-D... | 35063736 |
| Androgen receptor | Ki | = | 16.5 | nM | 7.78 | Binding affinity against human androgen receptor (hAR) in competitive binding as... | 11356108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356108 | 10.1021/jm0005353 | Androgen receptor | 1 |
| 35063736 | 10.1016/j.ejmech.2022.114119 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine