compound 15b [PMID: 18334293]   Click here for help

GtoPdb Ligand ID: 8157

Synonyms: Scios-15b
Compound class: Synthetic organic
Comment: Compound 15b is a potent inhibitor of calcium/calmodulin-dependent protein kinase II delta (CAMK2D) reported in [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 53.08
Molecular weight 365.14
XLogP 4.05
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1
Isomeric SMILES Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1
InChI InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
calcium/calmodulin-dependent protein kinase II delta subunit Primary target of this compound Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 9x10-9 M) [1]