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CHEBI:755302 - spebrutinib

Default Structure
ChEBI IDCHEBI:755302
ChEBI Namespebrutinib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H22FN5O3
Net Charge0
Average Mass423.448
Monoisotopic Mass423.17067
SMILESC=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1
InChIInChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)
InChIKeyKXBDTLQSDKGAEB-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
spebrutinib (CHEBI:755302) has role antineoplastic agent (CHEBI:35610)
spebrutinib (CHEBI:755302) is a anilide (CHEBI:13248)
INN  Source
espebrutinibWHO MedNet
Synonym  Source
Btk inhibitor cc-292ChEMBL
Citations