Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2R,5aS,7S,8aR,8bS)-7-(benzylamino)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)octahydrocyclopenta[a]pyrrolizin-5(5aH)-one
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 PubChem ID
CID: 52947647
Canonical SMILES
C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@@H](C[C@@H]3C2=O)NCc2ccccc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C33H31F7N2O2
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Neurokinin receptor
Uniprot ID
P25103
Gene Name
TACR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.17 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.8 nM
   TI
   LI
   LO
   TS