Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-1,4-oxazinan-4-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
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 PubChem ID
CID: 135413536
SID: 14787735
Canonical SMILES
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C23H21F7N4O3
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
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)  2
1
IC50 = 0.09 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Kd = 8.318 nM
   TI
   LI
   LO
   TS
2
Ki = 0.8 nM
   TI
   LI
   LO
   TS
3
Ki = 3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.09 nM
2 Ki = 0.07943 nM