× 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 IDNVIC0025
Compound Structure
DOWNLOAD:
InhibitorGentian Violet
PubChem ID 11057
Drug Bank ID
ChemSpider ID 3349
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]
Molecular Weight407.986 g/mol
Target
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeEffectively inhibit both NiV infection.
IC50 (in nM)525
EC50 (in nM)
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bond Count4
XLogP5.51
PSA9.49
Reference(s)Https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
CuratorKanikatuteja@gmail.com