Brief Information of the Compound and Protein
Compound Name
ethyl (3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]piperidine-3-carboxylate
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PubChem ID
CID: 118857831
Canonical SMILES
CCOC(=O)[C@@H]1CN(CCn2c(=O)[nH]c3ccccc3c2=O)CC[C@@H]1c1cccc2OCCOc12
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Compound Formula C26H29N3O6
Compound Structure
Protein Name
Synaptic vesicular amine transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC18 family of vesicular amine transporters
Uniprot ID
Q05940
Gene Name
SLC18A2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  4
1
IC50 = 142 nM
   TI
   LI
   LO
   TS
2
Ki = 652 nM
   TI
   LI
   LO
   TS
3
Ki = 700 nM
   TI
   LI
   LO
   TS
4
Ki > 7900 nM
   TI
   LI
   LO
   TS