Compound Detail
CHEMBL257379
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Cc1cccc([C@@H]2COc3cc4[nH]c(=O)cc(C(F)(F)F)c4cc3N2CC(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL257379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDVUWDMBUJPMG-KRWDZBQOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
5.36
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.72
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells | 18400499 |
| Androgen receptor | EC50 | = | 19.0 | nM | 7.72 | Agonist activity at human androgen receptor in CV1 cells by transcriptional acti... | 18400499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18400499 | 10.1016/j.bmcl.2008.03.062 | Androgen receptor | 4 |
Data from ChEMBL 36 via Core Engine