DXd (deruxtecan payload) structure · TOP1 inhibitor

DXd (deruxtecan payload) 2D structure

Role: Payload
Family: Exatecan / DXd (TOP1 inhibitor) payload family
Mechanism class: TOP1 inhibitor
Aliases: deruxtecan, dxd payload
InChIKey: PLXLYXLUCNZSAA-QLXKLKPCSA-N
Parent scaffold: Camptothecin / exatecan core

Structure source: Catalog seed (external identifier on file)
PubChem CID: 118722014
ChEMBL ID: CHEMBL4297212
InChI Key: PLXLYXLUCNZSAA-QLXKLKPCSA-N

Hand-written analysis

Mechanism

DXd(데룩스테칸)는 엑사테칸 유도 TOP1 저해제 payload입니다. 자가희생 링커에서 방출된 뒤 DNA 토포이소머라제 I을 막아 복제 포크를 붕괴합니다. 막투과성 bystander가 고형암 불균질 항원에 유리합니다. 전신 반감기가 짧게 설계됩니다.

Medicinal chemistry

캠토테신 유사 펜타사이클에 절단형 펩타이드 링커 핸들이 붙습니다. SN-38과 같은 TOP1 층이지만 치환·방출 속도가 다릅니다.

Indication · context

trastuzumab deruxtecan 등 DXd ADC의 워헤드입니다. MMAE·DM1과 독성 장기(간질성폐질환 vs 신경·호중구)가 갈립니다.

SMILES

CC1=C2C(=C(C=C1)O)C(=O)OC2=CC3=C(C=CC=C3)NC(=O)CCN1CCOCC1

Related compounds

Comparisons · briefs

External IDs · BioMoa

PubChem CID 118722014 CHEMBL4297212 BioMoa · DXd payload 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

DXd (deruxtecan payload) structure · mechanism