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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10727 tomivosertib
Synonyms Click here for help
compound 23 [PMID: 29526098] | eFT-508 | eFT508
Database Links Click here for help
GtoPdb PubChem SID 381118877
PubChem CID 118598754
RCSB PDB Ligand N45
Search Google for chemical match using the InChIKey HKTBYUWLRDZAJK-UHFFFAOYSA-N
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SynPHARM 85807 (in complex with MAP kinase interacting serine/threonine kinase 2)
UniChem Compound Search for chemical match using the InChIKey HKTBYUWLRDZAJK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HKTBYUWLRDZAJK-UHFFFAOYSA-N