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Compound IDNVIC0058
Compound Structure
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InhibitorGabapentin
PubChem ID 3446
Drug Bank ID
ChemSpider ID 3328
SMILESC1CCC(CC1)(CC(=O)O)CN
Molecular Weight (in g/mol)171.24 g/mol
Targetcalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
Outcomecalcium channel blockage
IC50 (in nM)538700
EC50 (in nM)
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bond Count3
XLogP1.39
PSA63.32
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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