Simvastatin (Zocor) structure · Statin / HMG-CoA

Simvastatin (Zocor) 2D structure

Role: Drug
Family: Statin HMG-CoA reductase inhibitor series
Mechanism class: Statin / HMG-CoA
Parent scaffold: Dihydroxyheptanoate pharmacophore

Structure source: Catalog seed

How similarity is calculated

Hand-written analysis

Mechanism

심바스타틴은 HMG-CoA 환원효소 저해 락톤 프로드러그입니다. 중강도 스타틴입니다. CYP3A 상호작용·근육 증상이 고전적입니다.

Medicinal chemistry

데칼린 락톤 천연물 유도체입니다. 아토르바스타틴(피롤)·로수바스타틴(피리미딘)과 케모타입이 다릅니다.

Indication · context

LDL-C 강하. 고강도 스타틴·PCSK9와 층을 구분합니다.

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@@H](C2)C)CCC(=O)O)C

Related compounds

External IDs · BioMoa

PubChem 검색 ChEMBL 검색 PubChem (SMILES)BioMoa · BioMoa에서 검색 BioMoa · Statin / HMG-CoA 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

Simvastatin (Zocor) structure · mechanism