SmartTM Library

Catalog No. DO1200

Target-based high-throughput screening is a crucial strategy in drug discovery, and using a single-target library for screening is a common practice. However, it comes with limitations: 1) a relatively limited number of compounds, 2) unsuitable for multi-target pathway studies, 3) overemphasizing a specific target may overlook other chemically unexplored structures, potentially missing out promising hit compounds, 4) only applicable to a single screening purpose, leading to lower utilization and increased R&D costs. In contrast, phenotype-based screening with broader target coverage significantly enhances the success rate of screening. Designed based on the targeted diversity concept and existing data, TargetMol’s SmartTM Library screens 1.6 million compounds to obtain 50,000 drug-like small molecules using various tools, such as: virtual screening, structural biology, in vitro tests, cell-based assays and phenotype prediction. These molecules cover over 300 drug targets and are organized into five sets (“Non-human target” Set, “Natural Product inspired scaffold” Set, Single target-based Set, Recognition Motif Set, and “Special” Sets). A major benefit of the Smart Library approach is that it represents a multi-purpose diversity set, incorporated it into one single compound library for different screening goals. Those goals may include: “Difficult” targets related to study and interrogation of cellular processes; Signaling pathways and “eclectic” biological targets; protein-protein interactions and an entire selected therapeutic area. The excellent physicochemical properties are a key factor indicating the drug potential of compounds, as compounds with favorable properties can significantly save time in subsequent structure optimization and ADME evaluation to shorten the research period. All compounds in the SmartTM Library undergo rigorous screening and possess excellent drug potential: 1. Molecular weight between 200-500, facilitating subsequent modifications. 2. Moderate number of rotatable bonds (2-9), ensuring good oral bioavailability. 3. cLogP less than 6, indicating good solubility. 4. PSA (Polar Surface Area) between 50-150 Å2, indicating favorable drug transport characteristics. 5. Ring and aromatic ring count conforms to the characteristics of most drug structures. These small molecules exhibit similarity to drugs in terms of molecular weight, hydrophilicity, and other factors. Additionally, the library offers a solution for establishing a foundation in the early stages of constructing a large screening library due to its large-scale supply and high cost-effectiveness. This foundation supports subsequent drug-like screening and cutting-edge research involving multiple targets and pathways.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.