Brief Information of the Compound and Protein
Compound Name
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[[(3S)-6-ethynyl-3,4-dihydro-2H-pyran-3-yl]-propylamino]butyl]-3-methoxybenzamide
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PubChem ID
CID: 122177642
Canonical SMILES
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2COC(=CC2)C#C)nn1
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Compound Formula C31H45N5O4
Compound Structure
Protein Name
D(2) dopamine receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Dopamine receptor
Uniprot ID
P14416
Gene Name
DRD2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 4.9 nM
   TI
   LI
   LO
   TS
2
Ki = 10 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 90 nM
   TI
   LI
   LO
   TS
2
EC50 = 410 nM
   TI
   LI
   LO
   TS
3
EC50 = 480 nM
   TI
   LI
   LO
   TS
4
EC50 = 1900 nM
   TI
   LI
   LO
   TS
5
EC50 = 2900 nM
   TI
   LI
   LO
   TS