Brief Information of the Compound and Protein
Compound Name
N-[4-[(1S,2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-5-oxo-2,3,8,8a-tetrahydro-1H-indolizin-7-yl]phenyl]methanesulfonamide
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PubChem ID
CID: 24889111
SID: 51081610
Canonical SMILES
C[C@@H](O[C@H]1CN2C(CC(=CC2=O)c2ccc(NS(C)(=O)=O)cc2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C31H27F7N2O4S
Compound Structure
Protein Name
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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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 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
2
IC50 = 54 nM
   TI
   LI
   LO
   TS