EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:756414 - neratinib maleate

Default Structure
ChEBI IDCHEBI:756414
ChEBI Nameneratinib maleate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C30H29ClN6O3
Net Charge0
Average Mass673.126
Monoisotopic Mass672.20993
SMILESCCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C30H29ClN6O3.C4H4O4/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22;5-3(6)1-2-4(7)8/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38);1-2H,(H,5,6)(H,7,8)/b9-7+;2-1-
InChIKeyVXZCUHNJXSIJIM-MEBGWEOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
neratinib maleate (CHEBI:756414) has role antineoplastic agent (CHEBI:35610)
neratinib maleate (CHEBI:756414) is a organochlorine compound (CHEBI:36683)
neratinib maleate (CHEBI:756414) is a quinolines (CHEBI:26513)
Synonyms  Source
Neratinib maleateChEMBL
Neratinib maleate anhydrousChEMBL
Brand Name  Source
NerlynxChEMBL