STK16-IN-1   Click here for help

GtoPdb Ligand ID: 9692

Compound class: Synthetic organic
Comment: STK16-IN-1 is a selective inhibitor of serine/threonine kinase 16 (STK16) that can be used as a pharmacological tool to investigate the biological functions of STK16 [2]. It is compound 219 in a 2010 patent claiming mTOR inhibitors [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 50.16
Molecular weight 293.1
XLogP 4.22
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2
Isomeric SMILES Fc1ccc(cc1C)n1c(=O)ccc2c1c1cc[nH]c1nc2
InChI InChI=1S/C17H12FN3O/c1-10-8-12(3-4-14(10)18)21-15(22)5-2-11-9-20-17-13(16(11)21)6-7-19-17/h2-9H,1H3,(H,19,20)
1. Gray N, Chang JW, Zhang J, Thoreen CC, Kang SWA, Sabatini DM, Liu Q. (2010)
Soluble mtor complexes and modulators thereof.
Patent number: WO2010044885. Assignee: Whitehead Institute For Biomedical Research, Dana-Farber Cancer Institute, Inc.. Priority date: 17/10/2008. Publication date: 22/04/2010.
2. Liu F, Wang J, Yang X, Li B, Wu H, Qi S, Chen C, Liu X, Yu K, Wang W et al.. (2016)
Discovery of a Highly Selective STK16 Kinase Inhibitor.
ACS Chem Biol, 11 (6): 1537-43. [PMID:27082499]