Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-((1S,6R,7S)-8-Benzoyl-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl)-2-trifluoromethyl-benzonitrile
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 PubChem ID
CID: 23599037
Canonical SMILES
N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)c4ccccc4)N3C2=O)cc1C(F)(F)F
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Compound Formula C22H15F3N4O3
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 = 2600 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 300 nM
   TI
   LI
   LO
   TS
2
Ki = 120 nM
   TI
   LI
   LO
   TS