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CHEBI:78030 - LGK974

ChEBI IDCHEBI:78030
ChEBI NameLGK974
Stars
DefinitionA carboxamide, the structure of which is that of acetamide substituted on carbon by a 2',3-dimethyl-2,4'-bipyridin-5-yl group and on nitrogen by a 5-(pyrazin-2-yl)pyridin-2-yl group. It is a highly potent, selective and orally bioavailable Porcupine inhibitor (a Wnt signalling inhibitor).
Last Modified7 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H20N6O
Net Charge0
Average Mass396.454
Monoisotopic Mass396.16986
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1
InChIInChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
InChIKeyXXYGTCZJJLTAGH-UHFFFAOYSA-N
Roles Classification
Biological Role:
Wnt signalling inhibitor  A substance that inhibits any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell.
ChEBI Ontology
Outgoing Relation(s)
LGK974 (CHEBI:78030) has functional parent acetamide (CHEBI:27856)
LGK974 (CHEBI:78030) has role Wnt signalling inhibitor (CHEBI:78031)
LGK974 (CHEBI:78030) is a bipyridines (CHEBI:50511)
LGK974 (CHEBI:78030) is a pyrazines (CHEBI:38314)
LGK974 (CHEBI:78030) is a pyridines (CHEBI:26421)
LGK974 (CHEBI:78030) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-N-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide
Registry NumbersSources
Reaxys:20663778Reaxys
Citations