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Record - 1 of 2   [TOP]
Compound IDNVIC0009
Compound Structure
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InhibitorBenzamil
SMILESC1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
PubChem ID 108107
Drug Bank ID\N
ChemSpider ID97202
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)65040.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)319.75
H-bond Acceptor7
H-bond Donor5
No. of Rotatable Bonds6
LogP2.35
Topological Polar Surface Area (Å)142.80
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com

                  
Record - 2 of 2   [TOP]
Compound IDNVIC0037
Compound Structure
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Inhibitor5-N-ethyl isopropyl amiloride
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
PubChem ID 1795
Drug Bank ID\N
ChemSpider ID1729
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)5960.0
EC50 (in nM)0.0
OutcomeSodium channel blockage
Molecular Weight (in g/mol)299.76
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bonds5
LogP0.76
Topological Polar Surface Area (Å)136.51
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com