Brigatinib (Alunbrig) structure · ALK / ROS1 TKI

Brigatinib (Alunbrig) 2D structure

Role: Drug
Family: ALK / ROS1 TKI chemical series
Mechanism class: ALK / ROS1 TKI
Parent scaffold: ALK aminopyridine pharmacophore

Structure source: Catalog seed

How similarity is calculated

Hand-written analysis

Mechanism

브리가티닙은 ALK/ROS1/EGFR 일부를 덮는 2세대 TKI입니다. L1196M 등 크리조티닙 내성을 겨냥하고 뇌전이를 의식합니다. G1202R에는 로를라티닙이 더 넓은 편입니다.

Medicinal chemistry

디메틸포스핀옥사이드 아닐리노피리미딘 골격이 특징입니다. 매크로사이클(로를라티닙)과 케모타입이 다릅니다.

Indication · context

ALK+ NSCLC. 1·2·3세대 구조를 한 패밀리에서 비교합니다.

SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=C(N2)C3=CC=C(C=C3)NC(=O)C4CCNCC4)C5=CN=CC=C5

Related compounds

Comparisons · briefs

External IDs · BioMoa

PubChem 검색 ChEMBL 검색 PubChem (SMILES)BioMoa · ALK / Alunbrig BioMoa bridge Open on the family map Flow Structure table Mechanism class

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Methodology

Brigatinib (Alunbrig) structure · mechanism