tinodasertib   Click here for help

GtoPdb Ligand ID: 12385

Synonyms: AUM-001 | AUM001 | compound 48 [PMID: 29683667] | ETC-1907206 | ETC-206 | ETC206
Compound class: Synthetic organic
Comment: Tinodasertib (ETC-206) is an inhibitor of MAPK interacting serine/threonine kinases 1 and 2 [3]. It is an oncology clinical lead [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 70.63
Molecular weight 408.16
XLogP 4.45
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc(cc1)c1cnc2n1cc(cc2)c1ccc(cc1)C(=O)N1CCOCC1
Isomeric SMILES C1COCCN1C(=O)c1ccc(cc1)c1cn2c(ncc2c2ccc(cc2)C#N)cc1
InChI InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
1. Jin X, Yu R, Wang X, Proud CG, Jiang T. (2021)
Progress in developing MNK inhibitors.
Eur J Med Chem, 219: 113420. [PMID:33892273]
2. Teneggi V, Novotny-Diermayr V, Lee LH, Yasin M, Yeo P, Ethirajulu K, Gan SBH, Blanchard SE, Nellore R, Umrani DN et al.. (2020)
First-in-Human, Healthy Volunteers Integrated Protocol of ETC-206, an Oral Mnk 1/2 Kinase Inhibitor Oncology Drug.
Clin Transl Sci, 13 (1): 57-66. [PMID:31343094]
3. Yang H, Chennamaneni LR, Ho MWT, Ang SH, Tan ESW, Jeyaraj DA, Yeap YS, Liu B, Ong EH, Joy JK et al.. (2018)
Optimization of Selective Mitogen-Activated Protein Kinase Interacting Kinases 1 and 2 Inhibitors for the Treatment of Blast Crisis Leukemia.
J Med Chem, 61 (10): 4348-4369. [PMID:29683667]