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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 | PF-2341066 | CRIZOTINIB
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

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • K4DD Project
  • Orange Book
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL601719

Molecule Features

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

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma1ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma1ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma2ClinicalTrials
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma2ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma2ClinicalTrials
AdenocarcinomaD000230EFO:0000228adenocarcinoma2ClinicalTrials
Lymphoma, Large-Cell, AnaplasticD017728EFO:0003032anaplastic large cell lymphoma2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma4ClinicalTrials
DailyMed
Lung NeoplasmsD008175EFO:0001071lung carcinoma1ClinicalTrials
Carcinoma, Renal CellD002292EFO:0000640papillary renal cell carcinoma2ClinicalTrials
Colorectal NeoplasmsD015179EFO:1001951colorectal carcinoma1ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials

Clinical Data

ClinicalTrials.gov CRIZOTINIB
The Cochrane Collaboration CRIZOTINIB

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
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 1.000
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 1.000
CHEMBL4247 ALK tyrosine kinase 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
CHEMBL4898 Neurotrophic tyrosine kinase receptor type 2 Homo sapiens 1.000
CHEMBL4600 Serine/threonine-protein kinase PAK 1 Homo sapiens 0.997
CHEMBL5311 Serine/threonine-protein kinase receptor R3 Homo sapiens 0.929
CHEMBL2835 Tyrosine-protein kinase JAK1 Homo sapiens 0.869
CHEMBL4895 Tyrosine-protein kinase receptor UFO Homo sapiens 0.868
CHEMBL1908389 Mitogen-activated protein kinase kinase kinase 12 Homo sapiens 0.708
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.255
CHEMBL5776 Mitogen-activated protein kinase kinase kinase 7 Homo sapiens 0.249
CHEMBL2971 Tyrosine-protein kinase JAK2 Homo sapiens 0.246
CHEMBL4454 Tyrosine-protein kinase FGR Homo sapiens 0.210



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3717 Hepatocyte growth factor receptor Homo sapiens 1.000
CHEMBL5678 G protein-coupled receptor kinase 5 Homo sapiens 1.000
CHEMBL2689 Macrophage-stimulating protein receptor Homo sapiens 1.000
CHEMBL4247 ALK tyrosine kinase receptor Homo sapiens 1.000
CHEMBL5903 Activin receptor type-1 Homo sapiens 1.000
CHEMBL4898 Neurotrophic tyrosine kinase receptor type 2 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
CHEMBL4600 Serine/threonine-protein kinase PAK 1 Homo sapiens 1.000
CHEMBL5476 Bone morphogenetic protein receptor type-1B Homo sapiens 0.999
CHEMBL5627 Leukocyte tyrosine kinase receptor Homo sapiens 0.999
CHEMBL2835 Tyrosine-protein kinase JAK1 Homo sapiens 0.993
CHEMBL5310 Activin receptor type-1B Homo sapiens 0.981
CHEMBL5311 Serine/threonine-protein kinase receptor R3 Homo sapiens 0.964
CHEMBL1908389 Mitogen-activated protein kinase kinase kinase 12 Homo sapiens 0.942
CHEMBL4895 Tyrosine-protein kinase receptor UFO Homo sapiens 0.934
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.931
CHEMBL5698 NUAK family SNF1-like kinase 2 Homo sapiens 0.908
CHEMBL2971 Tyrosine-protein kinase JAK2 Homo sapiens 0.905
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 0.752

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
450.4 449.1185 5.04 5 77.99 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 6 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.81 3.54 1.06 3 30 0.53

Structural Alerts

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

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
BindingDB 50306682
Brenda 213556 62615
ChEBI 64310
DrugBank DB08865
DrugCentral 4187
eMolecules 31526065
FDA SRS 53AH36668S
Guide to Pharmacology 4903
IBM Patent System 13341D8C44A97AAFBFE22AC2E5D7F964
LINCS LSM-1027
MolPort MolPort-009-679-404
Nikkaji J2.735.431I
PDBe VGH
PharmGKB PA165946122
PubChem 11626560
PubChem: Drugs of the Future 125299329
PubChem: Thomson Pharma 16729581
Selleck PF-2341066
SureChEMBL SCHEMBL93829
ZINC ZINC000035902489

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