Brief Information of the Compound and Protein
Compound Name
N-[4-[[2-[4-fluoro-2-(2-fluoropropan-2-yl)phenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]-2-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
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PubChem ID
CID: 168297336
Canonical SMILES
COc1cc(Oc2c(sc3c2ccc2[nH]ncc32)-c2ccc(F)cc2C(C)(C)F)ccc1NC1CN(CCCF)C1
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Compound Formula C31H31F3N4O2S
Compound Structure
Protein Name
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
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Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001042 HEK293/Gal4 Homo sapiens (Human)  1
1
IC50 = 0.7 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 = 1.3 nM
   TI
   LI
   LO
   TS