crizotinib

Ligand id: 4903

Name: crizotinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 77.99
Molecular weight 449.12
XLogP 2.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2011), EMA (2012))
IUPAC Name
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
International Nonproprietary Names
INN number INN
9301 crizotinib
Synonyms
(R)-crizotinib | PF 2341066 | PF-02341066 | PF-2341066 | PF2341066 | Xalkori®
Database Links
CAS Registry No. 877399-52-5
ChEMBL Ligand CHEMBL601719
PubChem CID 11626560
RCSB PDB Ligand VGH
Search Google for chemical match using the InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
Search Google for chemicals with the same backbone KTEIFNKAUNYNJU
Search PubMed clinical trials crizotinib
Search PubMed titles crizotinib
Search PubMed titles/abstracts crizotinib
Search UniChem for chemical match using the InChIKey KTEIFNKAUNYNJU-GFCCVEGCSA-N
Search UniChem for chemicals with the same backbone KTEIFNKAUNYNJU
SynPHARM 79022 (in complex with anaplastic lymphoma receptor tyrosine kinase)
78753 (in complex with MET proto-oncogene, receptor tyrosine kinase)
79023 (in complex with MET proto-oncogene, receptor tyrosine kinase)
Wikipedia Crizotinib
Comments
Critzotinib is a Type-1 kinase inhibitor and was first approved by the FDA in 2011. Note that the approved drug should contain only the (R)-enantiomer as depicted here.