Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)-2-pyrazin-2-yloctahydro-1H-isoindole
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 PubChem ID
CID: 42639649
SID: 81078991
Canonical SMILES
C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)c1cnccn1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C28H26F7N3O
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)
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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 = 0.525 nM
   TI
   LI
   LO
   TS
2
IC50 = 73 nM
   TI
   LI
   LO
   TS