Compound Detail
CHEMBL5744517
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C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)c([N+](=O)[O-])cn1
Basic Information
| ChEMBL ID | CHEMBL5744517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJRBJUPBKRUUCW-HNNXBMFYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
2.31
ALogP
7
HBA
2
HBD
139.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.14 | 5.1 | 7260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 7260.0 | nM | 5.14 | Gal4-luciferase reporter assay: Briefly, the AR LBD is expressed as a fusion wit... | - |
| Androgen receptor | IC50 | = | 8740.0 | nM | 5.06 | mmTV-luciferase reporter assay: An AR-response element is contained within the m... | - |
Data from ChEMBL 36 via Core Engine