× 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
logo
                  
Record - 1 of 1   [TOP]
Compound IDNVIC0086
Compound Structure
DOWNLOAD:
InhibitorBosutinib
PubChem ID 5328940
Drug Bank IDDB06616
ChemSpider ID 4486102
SMILESCOC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
Molecular Weight (in g/mol)530.446 Da
TargetCAMK2D protein acted on N protein of NiV
Assay Type
Assay Description
Assay SourceApproved drug group
Cell Type
Outcome
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bond Count9
XLogP2.57
PSA82.88
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature] 28904190
Curatorkanikatuteja@gmail.com