Basic Information
ID DDInter1281
Drug Type small molecule
Molecular Formula C30H29ClN6O3
Molecular Weight 557.050
CAS Number 698387-09-6
Description Neratinib was approved in July 2017 for use as an extended adjuvant therapy in Human Epidermal Growth Factor Receptor 2 (HER2) positive breast cancer. Approval was granted to Puma Biotechnology Inc. for the tradename Nerlynx. Neratinib is currently under investigation for use in many other forms of cancer.
ATC Classification L01EH02
IUPAC Name (2E)-N-[4-({3-chloro-4-[(pyridin-2-yl)methoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
InChI JWNPDZNEKVCWMY-VQHVLOKHSA-N
Canonical SMILES CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(NC3=CC=C(OCC4=CC=CC=N4)C(Cl)=C3)=C(C=NC2=C1)C#N
Useful Links DrugBank ChEBI PubChem Substance ChemSpider BindingDB Wikipedia ChEMBL ZINC
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Multi-DRUG trade Multi-DRUG Drug type Warning Note