Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
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 PubChem ID
CID: 44415840
Canonical SMILES
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)CC(=O)N1CCN(C)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C29H34F7N3O2
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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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)  1
1
IC50 = 0.95 nM
   TI
   LI
   LO
   TS