Basic Information
ID DDInter233
Drug Type small molecule
Molecular Formula C29H39ClN7O2P
Molecular Weight 584.100
CAS Number 1197953-54-0
Description Brigatinib, originally named AP26113, is a reversible dual inhibitor of anaplastic lymphoma kinase (ALK) and epidermal growth factor receptor (EGFR). It presents selectivity against the mutant forms of EGFR compared to the wild-type.[A31311] It also exhibits selectivity against 9 different Crizotinib-resistant mutants of the EML4-ALK fusion gene, which is a pivotal player in the transformation of susceptible lung parenchyma.[A31313] Brigatinib was developed by Ariad Pharmaceuticals, a subsidiary of Takeda Pharmaceutical Company Limited, and FDA-approved on April 28, 2017.[L1026]
ATC Classification L01ED04
IUPAC Name 5-chloro-N4-[2-(dimethylphosphoryl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine
InChI AILRADAXUVEEIR-UHFFFAOYSA-N
Canonical SMILES COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1
Useful Links DrugBank PubChem Substance ChemSpider BindingDB PharmGKB Wikipedia ChEMBL ZINC
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