CHEBI:64310 - crizotinib

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ChEBI Name crizotinib
ChEBI ID CHEBI:64310
Definition A 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)
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Pablo Porras Millan
Secondary ChEBI IDs CHEBI:77554
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Formula C21H22Cl2FN5O
Net Charge 0
Average Mass 450.33700
Monoisotopic Mass 449.119
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)/t12-/m1/s1
InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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.
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ChEBI Ontology
Outgoing 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 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 Sources
crizotinib WHO MedNet
crizotinib WHO MedNet
crizotinib KEGG DRUG
crizotinibum WHO MedNet
Synonyms Sources
(R)-crizotinib ChEBI
PF 2341066 ChemIDplus
PF-2341066 ChemIDplus
Manual Xrefs Databases
4187 DrugCentral
Crizotinib Wikipedia
D09731 KEGG DRUG
LSM-1027 LINCS
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Registry Numbers Types Sources
12133926 Reaxys Registry Number Reaxys
877399-52-5 CAS Registry Number ChemIDplus
877399-52-5 CAS Registry Number KEGG DRUG
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Last Modified
22 February 2017