brigatinib

Ligand id: 7741

Name: brigatinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 92.43
Molecular weight 528.22
XLogP 4.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
5-chloro-2-N-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-4-N-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
International Nonproprietary Names
INN number INN
10085 brigatinib
Synonyms
Alunbrig® | AP-26113 | AP26113 | compound 11q [PMID: 27144831]
Database Links
CAS Registry No. 1197953-54-0 (source: WHO INN record)
GtoPdb PubChem SID 223366074
PubChem CID 57390074
Search Google for chemical match using the InChIKey OVDSPTSBIQCAIN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OVDSPTSBIQCAIN
Search PubMed clinical trials brigatinib
Search PubMed titles brigatinib
Search PubMed titles/abstracts brigatinib
Search UniChem for chemical match using the InChIKey OVDSPTSBIQCAIN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OVDSPTSBIQCAIN
SynPHARM 80282 (in complex with anaplastic lymphoma receptor tyrosine kinase)
80285 (in complex with anaplastic lymphoma receptor tyrosine kinase)
Wikipedia AP26113
Comments
Brigatinib (AP26113) is a phosphine oxide-containing drug developed as a treatment for cancers driven by anaplastic lymphoma kinase (ALK) rearrangements [1] or by T790M gatekeeper mutant EGFR. It is an orally available inhibitor.