Ponatinib (Iclusig) structure · BCR-ABL TKI

Ponatinib (Iclusig) 2D structure

Role: Drug
Family: BCR-ABL TKI chemical series
Mechanism class: BCR-ABL TKI
Parent scaffold: Phenylaminopyrimidine kinase core

Structure source: Catalog seed

How similarity is calculated

Hand-written analysis

Mechanism

포나티닙은 BCR-ABL T315I를 겨냥하는 3세대 TKI입니다. 삼중결합이 gatekeeper를 우회합니다. 동맥폐쇄 위험이 용량과 함께 강조됩니다.

Medicinal chemistry

이미다조피리다진-아세틸렌 골격입니다. 이마티닙 type II와 결합 모드가 다릅니다.

Indication · context

T315I CML/Ph+ ALL. 1·2세대가 놓친 돌연변이를 이 약이 담당합니다.

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C4=CN=C5C(=N4)C=CC(=N5)C6=CC=CC=C6)C(F)(F)F

Related compounds

External IDs · BioMoa

PubChem 검색 ChEMBL 검색 PubChem (SMILES)BioMoa · Iclusig / BCR-ABL 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

Ponatinib (Iclusig) structure · mechanism