Compound Detail
CHEMBL49615
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Basic Information
| ChEMBL ID | CHEMBL49615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXIAFJWOWGWCTE-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.1
MW (Da)
2.37
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.09 | 7.09 | 80.9 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 7.09 | 7.09 | 81.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 80.9 | nM | 7.09 | Binding affinity against human androgen receptor (hAR) in competitive binding as... | 11356108 |
| Androgen receptor | Ki | = | 81.28 | nM | 7.09 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356108 | 10.1021/jm0005353 | Androgen receptor | 1 |
| 15239655 | 10.1021/jm0499007 | Androgen receptor | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine