Brief Information of the Compound and Protein
Compound Name
(8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-[4-[methyl(propan-2-yl)amino]phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
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PubChem ID
CID: 134415769
Canonical SMILES
CC(C)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12
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Compound Formula C34H47NO2
Compound Structure
Protein Name
Glucocorticoid receptor
Protein Classification
Unclassified protein
Uniprot ID
A0A8C0QLS2
Gene Name
NR3C1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  2
1
IC50 = 24.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 34.3 nM
   TI
   LI
   LO
   TS