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CHEBI:77563 - rac-crizotinib

ChEBI IDCHEBI:77563
ChEBI Namerac-crizotinib
Stars
ASCII Namerac-crizotinib
DefinitionA racemate comprising equimolar amounts of (R)- and (S)-crizotinib. The active (R)-enantiomer acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer.
Last Modified3 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H22Cl2FN5O
Net Charge0
Average Mass450.345
Monoisotopic Mass449.11854
SMILESCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)
InChIKeyKTEIFNKAUNYNJU-UHFFFAOYSA-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).
Applications:
biomarker  A substance used as an indicator of a biological state.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
rac-crizotinib (CHEBI:77563) has part ent-crizotinib (CHEBI:77555)
rac-crizotinib (CHEBI:77563) has part crizotinib (CHEBI:64310)
rac-crizotinib (CHEBI:77563) has role antineoplastic agent (CHEBI:35610)
rac-crizotinib (CHEBI:77563) has role biomarker (CHEBI:59163)
rac-crizotinib (CHEBI:77563) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
rac-crizotinib (CHEBI:77563) is a racemate (CHEBI:60911)
IUPAC Name 
rac-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
Synonyms  Source
racemic crizotinibChEBI
(±)-crizotinibChEBI
(RS)-crizotinibChEBI
Registry NumbersSources
Reaxys:12134721Reaxys