Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
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 PubChem ID
CID: 71549769
SID: 163549034
Canonical SMILES
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)-c1cccs1
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Compound Formula C20H18N6OS2
Compound Structure
Protein Name
 Protein Info 
Neuromedin-K receptor
Protein Classification
Membrane receptor
>
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
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
IC50 = 2 nM
   TI
   LI
   LO
   TS
2
IC50 = 3.981 nM
   TI
   LI
   LO
   TS
3
Ki = 3.162 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3.162 nM