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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SMILES / InChI / InChIKey
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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)
InChI Key FARXPFGGGGLENU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
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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