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Compound IDNVIC0086
Compound Structure
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InhibitorBosutinib
PubChem ID 5328940
Drug Bank IDDB06616
ChemSpider ID 4486102
SMILESCN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC
Molecular Weight (in g/mol)530.446
TargetCalcium/calmodulin-dependent protein kinase 2 delta
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeApproved drug group
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
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