nilotinib

Ligand id: 5697

Name: nilotinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 97.62
Molecular weight 529.18
XLogP 6.36
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2007))
IUPAC Name
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
International Nonproprietary Names
INN number INN
8654 nilotinib
Synonyms
AMN 107 | AMN107 | Tasigna®
Database Links
CAS Registry No. 641571-10-0
ChEMBL Ligand CHEMBL255863
DrugBank Ligand DB04868
PubChem CID 644241
RCSB PDB Ligand NIL
Search Google for chemical match using the InChIKey HHZIURLSWUIHRB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HHZIURLSWUIHRB
Search PubMed clinical trials nilotinib
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Search UniChem for chemical match using the InChIKey HHZIURLSWUIHRB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HHZIURLSWUIHRB
SynPHARM 78747 (in complex with ABL proto-oncogene 1, non-receptor tyrosine kinase)
Wikipedia Nilotinib
Comments
Nilotinib is a Type-2 kinase inhibitor and was first approved by the FDA in 2007.
Preclinical studies in rodent Parkinson's disease models suggest that nilotinib has some potential to promote autophagic degradation of α-synuclein [4-6,9], a brain protein whose accumulation and aggregation contributes to the formation of toxic insoluble fibrils which cause pathological changes such as neuronal loss in Parkinson's disease and other synucleinopathies. This mechanism has been evaluated in a pilot, proof-of-concept and safety clinical trial in a small number of patients with Parkinson's disease- and diffuse Lewy body disease-associated cognitive impairment (see NCT02281474; note that this trial is not placebo controlled or blinded).