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]
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.
Database Links
CAS Registry No. 1197953-54-0 (source: WHO INN record)
GtoPdb PubChem SID 223366074
PubChem CID 57390074
RCSB PDB Ligand E5J
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