CHEBI:77563 - rac-crizotinib

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ChEBI Name rac-crizotinib
ChEBI ID CHEBI:77563
ChEBI ASCII Name rac-crizotinib
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H22Cl2FN5O
Net Charge 0
Average Mass 450.33700
Monoisotopic Mass 449.11854
InChI InChI=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)
InChIKey KTEIFNKAUNYNJU-UHFFFAOYSA-N
SMILES CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Roles Classification
Biological Role(s): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(±)-crizotinib ChEBI
(RS)-crizotinib ChEBI
racemic crizotinib ChEBI
Registry Number Type Source
12134721 Reaxys Registry Number Reaxys
Last Modified
03 March 2014