Brief Information of the Compound and Protein
Compound Name
4-[(1R,2R,6S,7S)-3,5-dioxo-9-(phenylsulfonyl)-11-oxa-4,9-diazatricyclo[5.3.1.0 2,6]undec-4-yl]-2-(trifluoromethyl)benzonitrile
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PubChem ID
CID: 49862908
Canonical SMILES
C[C@]12CN(S(=O)(=O)c3ccccc3)C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12
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Compound Formula C24H20F3N3O5S
Compound Structure
Protein Name
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group C
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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 Homo sapiens (Human)  1
1
IC50 = 979 nM
   TI
   LI
   LO
   TS
CL000112 MDA-MB-435 Homo sapiens (Human)  1
1
IC50 = 99 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  1
1
Ki = 12 nM
   TI
   LI
   LO
   TS