EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64310 - crizotinib

ChEBI IDCHEBI:64310
ChEBI Namecrizotinib
Stars
DefinitionA 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)
Secondary ChEBI IDCHEBI:77554
Last Modified22 February 2017
Submitterpporras
DownloadsMolfile
FormulaC21H22Cl2FN5O
Net Charge0
Average Mass450.345
Monoisotopic Mass449.11854
SMILESC[C@@H](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)/t12-/m1/s1
InChIKeyKTEIFNKAUNYNJU-GFCCVEGCSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
crizotinib (CHEBI:64310) has role antineoplastic agent (CHEBI:35610)
crizotinib (CHEBI:64310) has role biomarker (CHEBI:59163)
crizotinib (CHEBI:64310) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
crizotinib (CHEBI:64310) is a 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CHEBI:77562)
crizotinib (CHEBI:64310) is enantiomer of ent-crizotinib (CHEBI:77555)
Incoming Relation(s)
rac-crizotinib (CHEBI:77563) has part crizotinib (CHEBI:64310)
ent-crizotinib (CHEBI:77555) is enantiomer of crizotinib (CHEBI:64310)
IUPAC Name 
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
INNs  Source
crizotinibKEGG DRUG
crizotinibWHO MedNet
crizotinibWHO MedNet
crizotinibumWHO MedNet
Synonyms  Source
(R)-crizotinibChEBI
PF 2341066ChemIDplus
PF-2341066ChemIDplus
Manual XrefsDatabases
4187DrugCentral
CrizotinibWikipedia
D09731KEGG DRUG
LSM-1027LINCS
Registry NumbersSources
Reaxys:12133926Reaxys
CAS:877399-52-5KEGG DRUG
CAS:877399-52-5ChemIDplus
Citations