Compound Detail
CHEMBL395992
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Basic Information
| ChEMBL ID | CHEMBL395992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KROLVKONLQIYIJ-MWLCHTKSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
4.14
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 10.0 | nM | 8.0 | Binding affinity to human AR | 17887661 |
| Androgen receptor | EC50 | = | 12.0 | nM | 7.92 | Agonist activity at human androgen receptor by luciferase reporter gene assay | 17887661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17887661 | 10.1021/jm070231h | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine