Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,6R,7S)-4-(4-Cyano-phenyl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]decane-8-carboxylic acid tert-butyl ester
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 PubChem ID
CID: 44397478
Canonical SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)N21
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Compound Formula C19H20N4O4
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 = 4970 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 2540 nM
   TI
   LI
   LO
   TS
2
Ki = 240 nM
   TI
   LI
   LO
   TS