Brief Information of the Compound and Protein
Compound Name
(2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluoromethylisochroman-7-yl]methylamino-2-phenylpiperidine
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PubChem ID
CID: 11327981
SID: 16418041
Canonical SMILES
COc1cc2CCO[C@](C)(c2cc1CN[C@H]1CCCN[C@H]1c1ccccc1)C(F)(F)F
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Compound Formula C24H29F3N2O2
Compound Structure
Protein Name
Substance-P receptor
Protein Classification
Membrane receptor
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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
CL000228 IM-9 Homo sapiens (Human)  2
1
IC50 < 0.1 nM
   TI
   LI
   LO
   TS
2
Ki = 0.2 nM
   TI
   LI
   LO
   TS