Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-(4-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]sulfonylanilino)-N-[(1-hydroxy-3-oxo-2H-isoquinolin-4-yl)imino]acetamide
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Canonical SMILES
CN(C)CCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)NC(=O)c2ccccc12)c1ccc(Cl)cc1
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Compound Formula C28H28ClN5O6S
Compound Structure
Protein Name
 Protein Info 
Oxytocin 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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Vasopressin and oxytocin receptor
Uniprot ID
P30559
Gene Name
OXTR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 15 nM
   TI
   LI
   LO
   TS
2
Ki = 1.6 nM
   TI
   LI
   LO
   TS