GSK1070916   Click here for help

GtoPdb Ligand ID: 8358

Synonyms: compound 17k [PMID 20420387] | GSK-1070916
Compound class: Synthetic organic
Comment: GSK1070916 is reported to be an ATP-competitive, potent and selective inhibitor of Aurora kinases B and C [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 82.08
Molecular weight 507.27
XLogP 5.11
No. Lipinski's rules broken 1
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Canonical SMILES CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C
Isomeric SMILES CCn1nc(c(c1)c1ccnc2c1cc([nH]2)c1cccc(c1)CN(C)C)c1ccc(cc1)NC(=O)N(C)C
InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
1. Adams ND, Adams JL, Burgess JL, Chaudhari AM, Copeland RA, Donatelli CA, Drewry DH, Fisher KE, Hamajima T, Hardwicke MA et al.. (2010)
Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase.
J Med Chem, 53 (10): 3973-4001. [PMID:20420387]
2. Andrews PD, Knatko E, Moore WJ, Swedlow JR. (2003)
Mitotic mechanics: the auroras come into view.
Curr Opin Cell Biol, 15 (6): 672-83. [PMID:14644191]
3. Girdler F, Gascoigne KE, Eyers PA, Hartmuth S, Crafter C, Foote KM, Keen NJ, Taylor SS. (2006)
Validating Aurora B as an anti-cancer drug target.
J Cell Sci, 119 (Pt 17): 3664-75. [PMID:16912073]
4. Keen N, Taylor S. (2004)
Aurora-kinase inhibitors as anticancer agents.
Nat Rev Cancer, 4 (12): 927-36. [PMID:15573114]