× 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 IDNVIC0050
Compound Structure
DOWNLOAD:
Inhibitor1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1=CC(=CC=C1)CC2=NN(C3=NC=NC(=C23)N)C(C)(C)C
PubChem ID 24865390
Drug Bank IDDB08699
ChemSpider ID23976079
TargetCalcium/calmodulin-dependent protein kinase 2 delta
Assay Type\N
Assay Description\N
Assay Source\N
Cell Type\N
IC50 (nM)0.0
EC50 (in nM)0.0
Outcome\N
Molecular Weight (in g/mol)295.38
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bonds3
LogP4.64
Topological Polar Surface Area (Å)69.62
PUBMED ID28904190
Referencehttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
Curator Email IDkanikatuteja@gmail.com