× Home About Simple Search Query Builder Structure Search Browse Similarity with FDA Approved Small Molecule Drugs Similarity with COCONUT compounds Similarity with ZINC Lead-like compounds Priority Inhibitors Cluster Visualization Submission Useful Resources Downloads Contact Us
logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0061
Compound Structure
DOWNLOAD:
InhibitorGabapentin
SMILESC1CCC(CC1)(CC(=O)O)CN
PubChem ID 3446
Drug Bank ID\N
ChemSpider ID3328
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source\N
Cell TypeVero cells
IC50 (nM)538700.0
EC50 (in nM)0.0
OutcomeCalcium channel blockage
Molecular Weight (in g/mol)171.24
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bonds3
LogP1.39
Topological Polar Surface Area (Å)63.32
PUBMED ID20668647
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
Curator Email IDkanikatuteja@gmail.com