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Compound IDNVIC0079
Compound Structure
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InhibitorArg-vasopressin
PubChem ID   644077
Drug Bank ID
ChemSpider ID559126
SMILESC1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
Molecular Weight1084.239 g/mol
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibited henipavirus replication
IC50 (in nM)35270
EC50 (in nM)
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bond Count22
XLogP-0.4
PSA514.53
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature]20668647
CuratorKanikatuteja@gmail.com