EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233310 - Mubritinib

Default Structure
ChEBI IDCHEBI:233310
ChEBI NameMubritinib
Stars
DefinitionMubritinib has been used in trials studying the treatment of Lung Neoplasm, Renal Neoplasm, Breast Neoplasm, Ovarian Neoplasm, and Pancreatic Neoplasm.
Submitterlbonaobra
DownloadsMolfile
FormulaC25H23F3N4O2
Net Charge0
Average Mass468.479
Monoisotopic Mass468.17731
SMILES[H]/C(=C(/[H])c1nc(COc2ccc(CCCCn3ccnn3)cc2)co1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+
InChIKeyZTFBIUXIQYRUNT-MDWZMJQESA-N
ChEBI Ontology
Outgoing Relation(s)
Mubritinib (CHEBI:233310) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
366017-09-6SUBMITTER
4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazoleSUBMITTER
TAK 165SUBMITTER
Registry NumbersSources
CAS:366017-09-6SUBMITTER