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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL601719
CHEMBL601719
Compound Name CRIZOTINIB
ChEMBL Synonyms Xalkori | Crizotinib | PF-2341066
Max Phase 4 (Approved)
Trade Names Xalkori
Molecular Formula C21H22Cl2FN5O

Additional synonyms for CHEMBL601719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl
Standard InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30- ...
Download InChI
Standard InChI Key KTEIFNKAUNYNJU-GFCCVEGCSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
ALK tyrosine kinase receptor inhibitor ALK tyrosine kinase receptor FDA
Hepatocyte growth factor receptor inhibitor Hepatocyte growth factor receptor FDA

Molecule Features

CHEMBL601719 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:Y Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 2 structural alerts for CHEMBL601719. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL601719

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL601719. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 1.000
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 1.000
CHEMBL5678 G protein-coupled receptor kinase 5 Homo sapiens 1.000
CHEMBL5903 Activin receptor type-1 Homo sapiens 1.000
CHEMBL5455 Tyrosine-protein kinase FES Homo sapiens 1.000
CHEMBL5568 Proto-oncogene tyrosine-protein kinase ROS Homo sapiens 1.000
CHEMBL4247 ALK tyrosine kinase receptor Homo sapiens 1.000
CHEMBL5627 Leukocyte tyrosine kinase receptor Homo sapiens 1.000
CHEMBL3982 Tyrosine-protein kinase FER Homo sapiens 1.000
CHEMBL4895 Tyrosine-protein kinase receptor UFO Homo sapiens 1.000
CHEMBL3529 Inhibitor of nuclear factor kappa B kinase epsilon subunit Homo sapiens 1.000
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 1.000
CHEMBL4898 Neurotrophic tyrosine kinase receptor type 2 Homo sapiens 1.000
CHEMBL3836 LIM domain kinase 1 Homo sapiens 1.000
CHEMBL5314 Tyrosine-protein kinase receptor TYRO3 Homo sapiens 1.000
CHEMBL2595 Protein kinase C nu Homo sapiens 1.000
CHEMBL4708 Serine/threonine-protein kinase MST2 Homo sapiens 0.999
CHEMBL5776 Mitogen-activated protein kinase kinase kinase 7 Homo sapiens 0.999
CHEMBL2815 Nerve growth factor receptor Trk-A Homo sapiens 0.999
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.998



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 1.000
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 1.000
CHEMBL5678 G protein-coupled receptor kinase 5 Homo sapiens 1.000
CHEMBL4079 G-protein coupled receptor kinase 2 Homo sapiens 1.000
CHEMBL5776 Mitogen-activated protein kinase kinase kinase 7 Homo sapiens 1.000
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 1.000
CHEMBL5455 Tyrosine-protein kinase FES Homo sapiens 1.000
CHEMBL5683 Serine/threonine-protein kinase DCLK1 Homo sapiens 1.000
CHEMBL5627 Leukocyte tyrosine kinase receptor Homo sapiens 1.000
CHEMBL5903 Activin receptor type-1 Homo sapiens 1.000
CHEMBL5568 Proto-oncogene tyrosine-protein kinase ROS Homo sapiens 1.000
CHEMBL3982 Tyrosine-protein kinase FER Homo sapiens 1.000
CHEMBL4247 ALK tyrosine kinase receptor Homo sapiens 1.000
CHEMBL5476 Bone morphogenetic protein receptor type-1B Homo sapiens 1.000
CHEMBL3529 Inhibitor of nuclear factor kappa B kinase epsilon subunit Homo sapiens 1.000
CHEMBL4895 Tyrosine-protein kinase receptor UFO Homo sapiens 1.000
CHEMBL2742 Fibroblast growth factor receptor 3 Homo sapiens 1.000
CHEMBL4898 Neurotrophic tyrosine kinase receptor type 2 Homo sapiens 1.000
CHEMBL5518 Misshapen-like kinase 1 Homo sapiens 1.000
CHEMBL5310 Activin receptor type-1B Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
450.3 449.1185 3.69 5 77.99 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.81 3.55 1.06 3 30 0.58

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XE - Protein kinase inhibitors
L01XE16 - crizotinib

ChemSpider ChemSpider:KTEIFNKAUNYNJU-GFCCVEGCSA-N
DailyMed crizotinib
Wikipedia Crizotinib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL601719



ACToR 877399-52-5
BindinDB 50306682
ChEBI 64310
DrugBank DB08865 DB08700
eMolecules 31526065
FDA SRS 53AH36668S
Guide to Pharmacology 4903
IBM Patent System 13341D8C44A97AAFBFE22AC2E5D7F964
IBM Patents EP1959955A2 EP1786785A2 EP2143441A1 WO2007066185A2 WO2006021884A2 WO2010003992A1 EP1784396B1 US20080293769 US20080300273 US20060046991 US20060128724 US7825137 EP1784396A2 WO2007066187A2 EP1963302A2 US20100063031 WO2006021881A2 US20100324061 US7858643 EP1786785B1 EP1959955B1
LINCS LSM-1027
MolPort MolPort-009-679-404
Nikkaji J2.735.431I
PDBe VGH
PubChem 11626560
PubChem: Drugs of the Future 125299329
PubChem: Thomson Pharma 16729581
Selleck PF-2341066
SureChEMBL SCHEMBL93829

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KTEIFNKAUNYNJU-GFCCVEGCSA-N spacer
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