Basic Information
ID DDInter465
Drug Type small molecule
Molecular Formula C24H25ClFN5O2
Molecular Weight 469.939
CAS Number 1110813-31-4
Description Dacomitinib, designed as (2E)-N-16-4-(piperidin-1-yl) but-2-enamide, is an oral highly selective quinazalone part of the second-generation tyrosine kinase inhibitors which are characterized by the irreversible binding at the ATP domain of the epidermal growth factor receptor family kinase domains.[A40009] Dacomitinib was developed by Pfizer Inc and approved by the FDA on September 27, 2018.[L4810] Some evidence in the literature suggests the therapeutic potential of dacomitinib in the epithelial ovarian cancer model[A39624], although further investigations are needed.
ATC Classification L01EB07
IUPAC Name (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
InChI LVXJQMNHJWSHET-AATRIKPKSA-N
Canonical SMILES COC1=C(NC(=O)\C=C\CN2CCCCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
Useful Links DrugBank ChEBI PubChem Substance KEGG Drug ChemSpider BindingDB Wikipedia ChEMBL ZINC
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