neratinib

Ligand id: 5686

Name: neratinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 112.4
Molecular weight 556.2
XLogP 4.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
International Nonproprietary Names
INN number INN
8878 neratinib
Synonyms
HKI 272 | HKI-272 | Nerlynx®
Database Links
CAS Registry No. 698387-09-6
ChEMBL Ligand CHEMBL180022
PubChem CID 9915743
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Wikipedia Neratinib
Comments
Neratinib is an irreversible inhibitor of the receptor tyrosine kinase (RTK), ErbB2 [3]. It also inhibits the related RTK, EGFR.