EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:757795 - acalabrutinib maleate

Default Structure
ChEBI IDCHEBI:757795
ChEBI Nameacalabrutinib maleate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C26H23N7O2
Net Charge0
Average Mass581.589
Monoisotopic Mass581.20228
SMILESCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C26H23N7O2.C4H4O4/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20;5-3(6)1-2-4(7)8/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35);1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-;/m0./s1
InChIKeyJWEQLWMZHJSMEC-AFJTUFCWSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
acalabrutinib maleate (CHEBI:757795) has role antineoplastic agent (CHEBI:35610)
acalabrutinib maleate (CHEBI:757795) is a imidazoles (CHEBI:24780)
Synonyms  Source
Acalabrutinib maleateChEMBL
Acalabrutinib maleate anhydrousChEMBL
Acalabrutinib maleate monohydrateChEMBL
Calquence maleateChEMBL