Irinotecan (CPT-11) structure · TOP1 inhibitor

Irinotecan (CPT-11) 2D structure

Role: Drug
Family: SN-38 / irinotecan (TOP1) small-molecule series
Mechanism class: TOP1 inhibitor
Aliases: camptosar
Parent scaffold: Camptothecin (parent alkaloid)

Structure source: Catalog seed (external identifier on file)
PubChem CID: 60838
ChEMBL ID: CHEMBL481

How similarity is calculated

Hand-written analysis

Mechanism

이리노테칸은 카르복실에스터라제로 SN-38이 되는 TOP1 프로드럭입니다. 전신 노출이 ADC보다 넓어 설사·호중구감소가 고전적입니다.

Medicinal chemistry

캠토테신에 피페리디노피페리딘 카르바메이트가 붙은 수용성 프로드럭입니다.

Indication · context

대장암 등 세포독성 요법과 SN-38 ADC의 모체 약물로 맵에 둡니다.

SMILES

CCC1=C2CN3C(=O)C4=C(C3=O)C(=CC=C4)N(C2=NC5=C1C=C(C=C5)Cl)C6CCCCC6

Related compounds

External IDs · BioMoa

PubChem CID 60838 CHEMBL481 BioMoa · Irinotecan / SN-38 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

Irinotecan (CPT-11) structure · mechanism