Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-N-[(2S)-1-(2-aminoethylamino)-1-oxo-3-phenylpropan-2-yl]-2-(3,4-dichlorophenyl)-4-(6-fluoro-1-methyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl)-N-methylbutanamide;hydrochloride
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 PubChem ID
CID: 90644603
Canonical SMILES
Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1
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Compound Formula C35H41Cl3FN5O4
Compound Structure
Protein Name
 Protein Info 
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
CL000205 U-373MG ATCC
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 125.89 nM
   TI
   LI
   LO
   TS