Compound Libraries

Solubility is one of the fundamental physicochemical properties of drug candidates, and early assessment of solubility properties can better interpret in vitro results and provide valuable information for the design of new molecules. Compounds with low solubility often produce erroneous results during functional assays, thus increasing the risk of obtaining false hits or leads. Measuring solubility at an early stage of the drug discovery process can identify potentially ambiguous activity data, such as false negatives due to poor solubility. The high solubility and good theoretical membrane permeability of soluble carboxylic acid fragment molecules can better address the limiting factors in drug discovery. Features: - (1) Soluble carboxylic acid fragment compounds: 1509. - (2) Soluble fluorinated carboxylic acid fragment molecules: 122. - (3) Soluble diverse carboxylic acid fragment molecules: 103. - (4) Highly soluble carboxylic acid fragment molecules: 352.

-425 food additives; -Detailed specifications, compound structure, target information, activity description, etc; -NMR and HPLC detection techniques to ensure high purity; -All compounds are available in stock.

- A unique collection of 4080 compounds for high-throughput screening and high-content screening, an effective tool for drug repurposing and anti-COVID-19 drug development - Some compounds have been marketed and approved by FDA, EMA, NMPA and other authorities, and most have passed Phase I clinical studies - ReFRAME Related Library has excellent structural diversity through cluster analysis of structural diversity, including 2698 clusters (similarity between different clusters <70%), with an average of 1.2 compounds per cluster. - Covering multiple research areas: oncology, cardiovascular drugs, anti-inflammatory/immune, neurological drugs, respiratory drugs, etc. - Diverse targets, including 5-HT Receptor, Sodium Channel, p38 MAPK, PI3K, MEK, etc. - Detailed specifications, compound structure, target information, disease indication information, activity description, etc. - NMR, HPLC/LCMS and other detection techniques to ensure correct structure and high purity of the product and redu

- A unique collection of 3160 of orally active compounds for high-throughput screening and high-content screening. - Some drugs are approved or are in clinical trials with validated biological activity and safety. - Detailed specifications, compound structures, target information, activity descriptions, etc. - NMR and HPLC detection techniques to ensure high product purity. - All compounds are available in stock.

Activity: Comprises 12 inhibitors of the various components of the Wnt pathway . Function/Pharmacology: The Wnt/ß-catenin pathway is a multi-component pathway primarily involved in embryonic development, adult tissue homeostasis, and cell proliferation. Wnt proteins (i.e Wnt1, Wnt3a, Wnt5a) mediate extracellular signals that activate Wnt membrane receptors Frizzled and LRP5/6. Once activated, these signals inactivate a ß-catenin degradation complex allowing ß-catenin to translocate to the nucleus where it binds to TCF enabling target gene transcription. Dysfunction in the Wnt/ß-catenin pathway is implicated in various cancers, liver disease, ALS, Alzheimer’s disease, bone disease, and cardiovascular disease.

Activity: Comprises 12 inhibitors of various ion channels involved in pain transmission . Function/Pharmacology: Neuropathic pain is caused by damage or dysfunction to peripheral or central nervous system nerve fibers and is frequently chronic in nature. Persistent increased excitability and spontaneous activity in neurons leads to chronic pain that is difficult to treat. As the perception of pain is frequently transmitted via the activation of various ion channels, pharmacological modulation of these channels offers great therapeutic potential.

Activity: Comprises 6 inhibitors of the polycomb-group proteins . Function/Pharmacology: The polycomb-group proteins consist of two classes: Polycomb repressive complex 1 (PRC1) and polycomb repressive complex 2 (PRC2). PRC1 acts as a histone methyltransferase primarily methylating H3K27me3 while PRC2 is a histone ubiquitin ligase acting on histone H2A. Both have important roles in epigenetic gene regulation and are implicated in various disease states because of their role in cellular proliferation-differentiation balance, metabolism, and the immune response.

Activity: Comprises 5 inhibitors of the various PKC isozymes . Function/Pharmacology: The Protein kinase C family of serine/threonine kinases is involved in many cellular processes including gene transcription, cell growth and proliferation, membrane structure, and various immune responses. The family is divided into three main isozyme categories: Conventional (PKCα, ßI, ßII, γ requiring DAG and Ca2+), Novel (PKCδ, ε, η, Θ requiring just DAG), and atypical (PKCι, ζ requiring neither DAG nor Ca2+).

-Most compounds have a molecular weight less than 500, mainly from 250 to 450, facilitating modification and optimization; -Most compounds have a LogP less than 5, indicating favorable solubility. -Hydrogen Bond Acceptor (HBA) and Hydrogen Bond Donor (HBD) counts generally adhere to the Rule of Five (Ro5). -Have Topological Polar Surface Area (TPSA) ≤110, and the majority of compounds have 10 or fewer rotatable bonds, complying with the Veber’s rule. -Quantitative Estimate of Drug-likeness (QED) is predominantly between 0.5 and 0.9, indicating excellent drug-likeness. -Fsp3 is evenly distributed with good 3D structural diversity.