EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232546 - sunitinib malate

ChEBI IDCHEBI:232546
ChEBI Namesunitinib malate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC22H27FN4O2.C4H6O5
Net Charge0
Average Mass532.569
Monoisotopic Mass532.23333
SMILES[H]/C(=C1/C(O)=Nc2ccc(F)cc21)c1nc(C)c(/C(O)=N/CCN(CC)CC)c1C.[H][C@](O)(CC(=O)O)C(=O)O
InChIInChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1
InChIKeyLBWFXVZLPYTWQI-IPOVEDGCSA-N
Roles Classification
Biological Role:
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sunitinib malate (CHEBI:232546) has part sunitinib (CHEBI:38940)
sunitinib malate (CHEBI:232546) has role antineoplastic agent (CHEBI:35610)
sunitinib malate (CHEBI:232546) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
sunitinib malate (CHEBI:232546) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
D06402KEGG DRUG
Registry NumbersSources
CAS:341031-54-7SUBMITTER