Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-dimethyl-3,5-dioxo-11-oxa-4,9-diaza-tricyclo[5.3.1.0*2,6*]undec-4-yl]-2-trifluoromethyl-benzonitrile
    Show/Hide
 PubChem ID
CID: 49862936
Canonical SMILES
C[C@]12CN(c3cccc(S(C)(=O)=O)c3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12
    Show/Hide
Compound Formula C25H22F3N3O5S
Compound Structure
Protein Name
 Protein Info 
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group C
>
Nuclear hormone receptor subfamily 3 group C member 4
Uniprot ID
P10275
Gene Name
AR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
CL000112 MDA-MB-435
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 7.4 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 9.4 nM
   TI
   LI
   LO
   TS