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CHEBI:230499 - TAK-418

Default Structure
ChEBI IDCHEBI:230499
ChEBI NameTAK-418
Stars
DefinitionTAK-418 is a selective, orally active LSD1 (KDM1A) enzyme inhibitor. TAK-418 unlocks aberrant epigenetic machinery and improves autism symptoms in neurodevelopmental disorder models.
Submitterdelphine
DownloadsMolfile
FormulaC17H24N2O2S.HCl
Net Charge0
Average Mass356.919
Monoisotopic Mass356.13253
SMILESO=C(NC1CCOCC1)c1csc([C@@H]2C[C@H]2NCC2CC2)c1.[H]Cl
InChIInChI=1S/C17H24N2O2S.ClH/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11;/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20);1H/t14-,15-;/m1./s1
InChIKeyLEEWMGOHGNRDKC-CTHHTMFSSA-N
ChEBI Ontology
Outgoing Relation(s)
TAK-418 (CHEBI:230499) is a organic molecular entity (CHEBI:50860)
Registry NumbersSources
CAS:1818252-53-7SUBMITTER