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 
Vasopressin V1a 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
P37288
Gene Name
AVPR1A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  6
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 7 nM
   TI
   LI
   LO
   TS
3
IC50 = 613 nM
   TI
   LI
   LO
   TS
4
Ki = 12.5 nM
   TI
   LI
   LO
   TS
5
Ki = 27 nM
   TI
   LI
   LO
   TS
6
Ki = 113 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 113 nM
2 Ki > 1000 nM