belizatinib

Ligand id: 10474

Name: belizatinib

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 99.49
Molecular weight 577.34
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
International Nonproprietary Names
INN number INN
10155 belizatinib
Synonyms
compound 36 [PMID: 22734674] | TSR-011 | TSR011
Comments
Belizatinib (TSR-011) is an inhibitor of anaplastic lymphoma kinase (ALK) [1]. It is reported as being potent, selective, and orally bioavailable, and was designed by Tesaro for potential anti-tumour activity.
Database Links
BindingDB Ligand 50396243
CAS Registry No. 1357920-84-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL2172308
GtoPdb PubChem SID 385612233
PubChem CID 57345941
RCSB PDB Ligand 0UV
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