Basic Information
ID DDInter899
Drug Type small molecule
Molecular Formula C25H24N6O2
Molecular Weight 440.507
CAS Number 936563-96-1
Description Ibrutinib is a small molecule that acts as an irreversible potent inhibitor of Burton's tyrosine kinase. It is designated as a targeted covalent drug and it presents a very promising activity in B cell malignancies.[A32299] Ibrutinib was developed by Pharmacyclics Inc and in November 2013 was FDA-approved for the treatment of mantle cell lymphoma. Later, in February 2014, ibrutinib was approved for the treatment of chronic lymphocytic leukemia and it is also indicated for the treatment of patients with Waldenström's Macroglobulinemia.[L12228] Ibrutinib has also been approved by the EMA for the treatment of chronic lymphocytic leukemia and mantle cell lymphoma.[A32299] Ibrutinib was approved for use in chronic graft versus host disease (cGVHD) in August 2017 [L12228] which was later approved to be used in children, making it the first FDA-approved cGVHD treatment for kids 1 year and older after failure of one or more lines of systemic therapy.[L43020]
ATC Classification L01EL01
IUPAC Name 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
InChI XYFPWWZEPKGCCK-GOSISDBHSA-N
Canonical SMILES NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1
Useful Links DrugBank ChEBI PubChem Substance KEGG Drug ChemSpider BindingDB PharmGKB Wikipedia ChEMBL ZINC
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