elraglusib   Click here for help

GtoPdb Ligand ID: 11412

Synonyms: 9-ING-41 | compound 26 [PMID: 19338355]
Compound class: Synthetic organic
Comment: This entry was generated using the chemical structure that was submitted to the WHO for INN elraglusib. In that submission it is described as a glycogen synthase kinase inhibitor. The chemical structure also matches that of 9-ING-41 [2] which is a maleimide-based GSK-3 inhibitor [1] and an oncology clinical lead.
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2D Structure
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Canonical SMILES Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C
Isomeric SMILES Fc1ccc2c(c1)c(co2)C1=C(C(=O)NC1=O)c1cn(c2c1cc1OCOc1c2)C
InChI InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
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
11553 elraglusib
Synonyms Click here for help
9-ING-41 | compound 26 [PMID: 19338355]
Database Links Click here for help
BindingDB Ligand 50267716
CAS Registry No. 1034895-42-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL483465
GtoPdb PubChem SID 440816781
PubChem CID 44582816
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UniChem Compound Search for chemical match using the InChIKey FARXPFGGGGLENU-UHFFFAOYSA-N
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