Compound Detail
CHEMBL391769
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Basic Information
| ChEMBL ID | CHEMBL391769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTABTFYBUJCWJD-ONGXEEELSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.8
MW (Da)
0.55
ALogP
5
HBA
1
HBD
101.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.45
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.36 | 7.36 | 44.0 | 1 |
| Androgen receptor CHEMBL3056 | EC50 | 5.45 | 5.45 | 3517.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 44.0 | nM | 7.36 | Displacement of [3H]DHT from human androgen receptor in MDA453 cells | 17574413 |
| Androgen receptor | EC50 | = | 3517.0 | nM | 5.45 | Agonist activity at androgen receptor in mouse C2C12 cells by receptor transacti... | 17574413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17574413 | 10.1016/j.bmcl.2007.06.007 | Androgen receptor | 3 |
Data from ChEMBL 36 via Core Engine