Brief Information of the Compound and Protein
Compound Name
4-[(1R,2R,6S,7S)-3,5-dioxo-9-propionyl-11-oxa-4,9-diazatricyclo[5.3.1.02,6]undec-4-yl]-2-(trifluoromethyl)benzonitrile
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PubChem ID
CID: 49862837
Canonical SMILES
CCC(=O)N1C[C@@]2(C)O[C@@](C)(C1)[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 C21H20F3N3O4
Compound Structure
Protein Name
Androgen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
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Nuclear hormone receptor subfamily 3
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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 = 549 nM
   TI
   LI
   LO
   TS
CL000112 MDA-MB-435 Homo sapiens (Human)  1
1
IC50 = 129 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  1
1
Ki = 84 nM
   TI
   LI
   LO
   TS