SN-38 (active metabolite) structure · TOP1 inhibitor

SN-38 (active metabolite) 2D structure

Role: Drug
Family: SN-38 / irinotecan (TOP1) small-molecule series
Mechanism class: TOP1 inhibitor
InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N
Parent scaffold: Irinotecan (CPT-11)

Structure source: StructureMoa-defined exploratory node
InChI Key: FJHBVJOVLFPMQE-QFIPXVFZSA-N

How similarity is calculated

Hand-written analysis

Mechanism

SN-38은 이리노테칸의 활성 대사체로 TOP1을 저해합니다. 사시투주맙 고비테칸 등에서 산불안정·절단 링커로 종양에 전달됩니다. UGT1A1 다형성이 전신 독성(설사·호중구)과 연결됩니다.

Medicinal chemistry

캠토테신 코어의 10-하이드록시 활성형입니다. DXd보다 고전적인 TOP1 케모타입입니다.

Indication · context

이리노테칸 전신 요법과 SN-38 ADC 두 층으로 쓰입니다. ADC 비교에서 DXd와 같은 효소·다른 링커를 구분합니다.

SMILES

CCC1=C2[C@@H](C[C@@H](O2)N(C1=O)[C@@H]3C[C@@H]CC4=C3C(=C(C=C4)O)O)C(=O)O

Related compounds

External IDs · BioMoa

PubChem ChEMBL BioMoa · SN-38 / TOP1 ADC 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

SN-38 (active metabolite) structure · mechanism