EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:747901 - zidesamtinib

Default Structure
ChEBI IDCHEBI:747901
ChEBI Namezidesamtinib
Stars
DefinitionA ROS1-selective macrocyclic tyrosine kinase inhibitor with antineoplastic activity.
Last Modified18 June 2026
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC22H22FN7O
Net Charge0
Average Mass419.464
Monoisotopic Mass419.18699
SMILESCCn1ncc2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1-c1nn(C)nc1C2
InChIInChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
InChIKeyDTWUUAFTYSMNQX-GFCCVEGCSA-N
Roles Classification
Biological Role:
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
zidesamtinib (CHEBI:747901) has role antineoplastic agent (CHEBI:35610)
zidesamtinib (CHEBI:747901) has role tyrosine kinase inhibitor (CHEBI:38637)
Manual XrefsDatabases
D12899KEGG DRUG
DB21623DrugBank