× Home Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with ChEMBL compounds Similarity with ZINC Lead-like compounds Cluster Visualization Submission Useful Resources Contact Us
logo
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0065
Compound Structure
DOWNLOAD:
Inhibitor5-N-ethyl isopropyl amiloride
PubChem ID 1795
Drug Bank ID
ChemSpider ID 1729
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
Molecular Weight299.763 g/mol
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)5960
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count5
XLogP0.76
PSA136.51
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
CuratorKanikatuteja@gmail.com