ADMET properties of the six lead dual-active alkaloids.

NIAID Data Ecosystem2026-05-01 收录

ADMET性质

先导化合物

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https://figshare.com/articles/dataset/ADMET_properties_of_the_six_lead_dual-active_alkaloids_/24988459 数据链接链接失效反馈

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ADMET properties of the six lead dual-active alkaloids.

创建时间：

2024-01-04

Levoglucosenone and Its Pseudoenantiomer iso -Levoglucosenone as Scaffolds for Drug Discovery and Development

药物化合物

先导化合物

The bioderived platform molecule levoglucosenone (LGO, 1) and its readily prepared pseudoenantiomer (iso-LGO, 2) have each been subjected to α-iodination reactions with the product halides then being

NIAID Data Ecosystem90

Plm II Paper PROVIDED

抗疟疾药物发现

先导化合物

Plm II Paper provided, showing the set of 25 compounds acting as potential anti-malarial drug candidates

Figshare2015-05-13 更新70

Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors

SHP2

先导化合物

SHP2 is a nonreceptor protein tyrosine phosphatase within the mitogen-activated protein kinase (MAPK) pathway controlling cell growth, differentiation, and oncogenic transformation. SHP2 also particip

NIAID Data Ecosystem30

碘海醇结构的小分子渗透性预测评价数据

药物渗透性

ADMET性质

本数据的核心应用在于加速新型造影剂及类似大分子量、多羟基分子的生物利用度与跨膜运输研究。企业内部应用：因造影剂通常具有较大的分子量和较高的极性，其细胞膜渗透性往往是限制其口服吸收或组织分布的关键瓶颈。在药物发现的早期阶段，研发团队可利用此数据训练的深度学习模型，对海量虚拟候选化合物进行高通量虚拟筛选（HTVS），在无需进行繁琐的体外 Caco-2 细胞实验的前提下，快速预测其表观渗透系数（Pap

浙江省数据知识产权登记平台2026-05-11 更新90

Identification of Novel GPR55 Modulators Using Cell-Impedance-Based Label-Free Technology

偶联受体药理

先导化合物

The orphan G protein-coupled receptor GPR55 has been proposed as a novel receptor of the endocannabinoid system. However, the validity of this categorization is still under debate mainly because of th

NIAID Data Ecosystem40

ADMET properties of the six lead dual-active alkaloids.

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