Brief Information of the Compound and Protein
Compound Name
(2R,6S,8S,10R)-4-[3-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.0^{2,6}.0^{8,10}]dodec-11-ene-3,5-dione
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PubChem ID
CID: 44392231
Canonical SMILES
O=C1[C@@H]2C3C=CC([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1
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Compound Formula C18H14F3NO2
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)  2
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
2
Ki = 9 nM
   TI
   LI
   LO
   TS
CL000284 MDA-MB-453 Homo sapiens (Human)  2
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
2
Ki = 3200 nM
   TI
   LI
   LO
   TS
CL000807 MDA-PCa-2b Homo sapiens (Human)  1
1
IC50 = 148 nM
   TI
   LI
   LO
   TS