Compound Detail
CHEMBL3706929
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Basic Information
| ChEMBL ID | CHEMBL3706929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHNWDWNUQKPNJK-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.2
MW (Da)
4.00
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.66
IC50 1 meas. best 8.39
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 4.1 | nM | 8.39 | Antagonist activity at human AR | 17267219 |
| Androgen receptor | EC50 | = | 22.0 | nM | 7.66 | Agonist activity at human AR | 17267219 |
| Androgen receptor | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to human AR | 17267219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17267219 | 10.1016/j.bmcl.2007.01.001 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine