ceritinib

Ligand id: 7397

Name: ceritinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 113.62
Molecular weight 557.22
XLogP 6.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2014), EMA (2015))
IUPAC Name
5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
International Nonproprietary Names
INN number INN
9817 ceritinib
Synonyms
compound 15b [PMID 23742252] | LDK378 | NVP-LDK378-NX | Zykadia®
Database Links
CAS Registry No. 1032900-25-6
ChEMBL Ligand CHEMBL2403108
PubChem CID 57379345
RCSB PDB Ligand 4MK
Search Google for chemical match using the InChIKey VERWOWGGCGHDQE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VERWOWGGCGHDQE
Search PubMed clinical trials ceritinib
Search PubMed titles ceritinib
Search PubMed titles/abstracts ceritinib
Search UniChem for chemical match using the InChIKey VERWOWGGCGHDQE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VERWOWGGCGHDQE
SynPHARM 79503 (in complex with anaplastic lymphoma receptor tyrosine kinase)
Wikipedia Ceritinib
Comments
Ceritinib is a novel, highly selective, second generation ALK inhibitor [2].