Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one
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 PubChem ID
CID: 46884516
Canonical SMILES
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2cnn(C)c2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C28H24F7N3O2
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 = 0.13 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.4 nM
   TI
   LI
   LO
   TS