InChIKey	LVXJQMNHJWSHET-AATRIKPKSA-N
Compound Name	Dacomitinib
Canonical SMILES	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	7
Pfam Stratification	Cross-Family
Avg pChEMBL	7.07
Source	ChEMBL;BindingDB

DrugBank ID	DB11963
Drug Name	Dacomitinib
CAS Number	1110813-31-4
Groups	approved investigational
ATC Codes	L01EB07
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.[A...

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Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strong) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors Heterocyclic Compounds, Fused-Ring Kinase Inhibitor Narrow Therapeutic Index Drugs OCT1 inhibitors P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Protein Kinase Inhibitors Quinazolines Tyrosine Kinase Inhibitors UGT1A1 Inhibitors

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Cross-references: BindingDB: 112499 ChEBI: 132268 CHEMBL2110732 ChemSpider: 9685914 Drugs Product Database (DPD): 23131 D09883 PDB: 1C9 PubChem:11511120 PubChem:347828287 RxCUI: 2058848 Wikipedia: Dacomitinib ZINC: ZINC000072266312