DNA-PK inhibitor V   Click here for help

GtoPdb Ligand ID: 5961

Synonyms: AMA37 | arylmorpholine analog 37
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 49.77
Molecular weight 283.12
XLogP 3.53
No. Lipinski's rules broken 0
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Canonical SMILES Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
Isomeric SMILES Oc1cc(ccc1C(=O)c1ccccc1)N1CCOCC1
InChI InChI=1S/C17H17NO3/c19-16-12-14(18-8-10-21-11-9-18)6-7-15(16)17(20)13-4-2-1-3-5-13/h1-7,12,19H,8-11H2
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
protein kinase, DNA-activated, catalytic subunit Primary target of this compound Hs Inhibitor Inhibition 6.6 pIC50 - 2
pIC50 6.6 (IC50 2.7x10-7 M) [2]