Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
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 PubChem ID
CID: 135506374
SID: 14911401
Canonical SMILES
Cc1cc(ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1)C(=O)N1Cc2cnn(C)c2Nc2ccccc12
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Compound Formula C32H35N7O4
Compound Structure
Protein Name
 Protein Info 
Oxytocin receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
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
CL000941 CHO-DUKX-A2
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  4
1
EC50 = 61 nM
   TI
   LI
   LO
   TS
2
EC50 = 61.3 nM
   TI
   LI
   LO
   TS
3
Ki = 58 nM
   TI
   LI
   LO
   TS
4
Ki = 58.4 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  8
1
EC50 = 3 nM
   TI
   LI
   LO
   TS
2
EC50 = 420 nM
   TI
   LI
   LO
   TS
3
EC50 = 880 nM
   TI
   LI
   LO
   TS
4
EC50 = 881 nM
   TI
   LI
   LO
   TS
5
IC50 > 10000 nM
   TI
   LI
   LO
   TS
6
Ki = 30.5 nM
   TI
   LI
   LO
   TS
7
Ki = 230 nM
   TI
   LI
   LO
   TS
8
Ki = 978 nM
   TI
   LI
   LO
   TS
CL000524 HEK293-FT
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 24 nM
   TI
   LI
   LO
   TS
2
EC50 = 150 nM
   TI
   LI
   LO
   TS