Brief Information of the Compound and Protein
Compound Name
4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-1(2H)-phthalazinone
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PubChem ID
CID: 17747460
SID: 28670100
Canonical SMILES
Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
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Compound Formula C39H49ClN4O2
Compound Structure
Protein Name
Alpha-1B adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Adrenergic receptor
Uniprot ID
P35368
Gene Name
ADRA1B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
Ki = 31.62 nM
   TI
   LI
   LO
   TS