tomivosertib   Click here for help

GtoPdb Ligand ID: 10167

Synonyms: compound 23 [PMID: 29526098] | eFT-508 | eFT508
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Tomivosertib (eFT508) is an orally active and selective mitogen-activated protein kinase interacting kinases 1 and 2 (MNK1/2) inhibitor that is being developed by eFFECTOR Therapeutics for anti-neoplastic potential [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 114.93
Molecular weight 340.16
XLogP 2.41
No. Lipinski's rules broken 0
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Canonical SMILES Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O
Isomeric SMILES Nc1ncnc(c1)Nc1cc(C)c2n(c1=O)C1(CCCCC1)NC2=O
InChI InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
1. Palucka AK, Coussens LM. (2016)
The Basis of Oncoimmunology.
Cell, 164 (6): 1233-1247. [PMID:26967289]
2. Reich SH, Sprengeler PA, Chiang GG, Appleman JR, Chen J, Clarine J, Eam B, Ernst JT, Han Q, Goel VK et al.. (2018)
Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J Med Chem, 61 (8): 3516-3540. [PMID:29526098]