× 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 NVIK VirtualBox Contact Us
Developed & Hosted by:
CSIR-Institute of Microbial Technology, Sector-39A, Chandigarh, India (160036).
*Best view resolution at 1920x1080 px on 24" screen

logo
☰
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0060
Compound Structure
DOWNLOAD:
InhibitorMibefradil
PubChem ID 60663
Drug Bank ID
ChemSpider ID 54673
SMILESCC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
Molecular Weight (in g/mol)495.639
TargetT-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)6110
EC50 (in nM)
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count12
XLogP6.43
PSA67.45
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com