Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridin-3-yl]-N,2-dimethylpropanamide
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 PubChem ID
CID: 44241723
SID: 85262059
Canonical SMILES
C[C@H]1CN(CCN1S(C)(=O)=O)c1cc(c(cn1)N(C)C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(F)cc1C
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Compound Formula C31H33F7N4O3S
Compound Structure
Protein Name
 Protein Info 
Neuromedin-K receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Neurokinin receptor
Uniprot ID
P29371
Gene Name
TACR3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  8
1
Kd = 16.22 nM
   TI
   LI
   LO
   TS
2
Kd = 47.86 nM
   TI
   LI
   LO
   TS
3
Ki = 0.2 nM
   TI
   LI
   LO
   TS
4
Ki = 1.7 nM
   TI
   LI
   LO
   TS
5
Ki = 1.8 nM
   TI
   LI
   LO
   TS
6
Ki = 5.1 nM
   TI
   LI
   LO
   TS
7
Ki = 19.7 nM
   TI
   LI
   LO
   TS
8
Ki > 10000 nM
   TI
   LI
   LO
   TS