Brief Information of the Compound and Protein
Compound Name
(6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)tetrahydro-1H-pyrrolizin-3(2H)-one
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PubChem ID
CID: 24750734
SID: 49652939
Canonical SMILES
C[C@@H](O[C@H]1CN2[C@@H](C(N)CC2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C23H21F7N2O2
Compound Structure
Protein Name
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 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.09 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6 nM
   TI
   LI
   LO
   TS