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Compound IDNVIC0115
Compound Structure
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InhibitorArg-vasopressin
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
PubChem ID 644077
Drug Bank ID\N
ChemSpider ID559126
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)35270.0
EC50 (in nM)0.0
OutcomeInhibition of henipavirus replication
Molecular Weight (in g/mol)1084.24
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bonds22
LogP-0.40
Topological Polar Surface Area (Å)514.53
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com