Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-(3-cyanophenoxy)-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)nicotinamide
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 PubChem ID
CID: 44579187
Canonical SMILES
O=C(NCCN1CCCN(CC2COc3ccccc3O2)CC1)c1cccnc1Oc1cccc(c1)C#N
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Compound Formula C29H31N5O4
Compound Structure
Protein Name
 Protein Info 
Alpha-2A adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P08913
Gene Name
ADRA2A
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
Ki = 208 nM
   TI
   LI
   LO
   TS
2
Ki = 501 nM
   TI
   LI
   LO
   TS