Compound Detail
CHEMBL221174
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CC(O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL221174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVTAFLVWAAKRDT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.3
MW (Da)
5.18
ALogP
5
HBA
2
HBD
105.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 140.0 | nM | 6.85 | Displacement of [3H]R1881 from rat androgen receptor | 16942875 |
| Androgen receptor | IC50 | = | 140.0 | nM | 6.85 | Binding affinity to Androgen receptor (unknown origin) | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942875 | 10.1016/j.bmcl.2006.08.036 | Androgen receptor | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine