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
SMILES / InChI / InChIKey
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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
InChI Key FALILNHGILFDLC-UHFFFAOYSA-N
References
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat. Biotechnol., 29 (11): 1039-45. [PMID:22037377]
2. Ballou LM, Selinger ES, Choi JY, Drueckhammer DG, Lin RZ. (2007)
Inhibition of mammalian target of rapamycin signaling by 2-(morpholin-1-yl)pyrimido[2,1-alpha]isoquinolin-4-one.
J. Biol. Chem., 282 (33): 24463-70. [PMID:17562705]
3. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem. J., 451 (2): 313-28. [PMID:23398362]