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Results for "

drug-like

" in MedChemExpress (MCE) Product Catalog:

11

Inhibitors & Agonists

12

Screening Libraries

2

Peptides

1

Natural
Products

Cat. No. Product Name
  • HY-L0113V
    1M Drug Fragment-Based Diversity Library
    		1,000,000 compounds
    A diversity compound library contains 1,000,000 compounds with drug fragments. Each compound has at least one drug fragment. These selected molecules have 702,902 Bemis-Murcko Scaffolds (BMS) with drug-like chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.
  • HY-L910V
    MegaUni 50K Virtual Diversity Library
    		50,000 compounds
    MegaUni 50K Virtual Diversity Library consists of 50,000 novel, synthetically accessible, lead-like compounds. With MCE's 40,662 Building Blocks, covering around 273 reaction types, more than 40 million molecules were generated. Based on Morgan Fingerprint and Tanimoto Coefficient, molecular clustering analysis was carried out, and molecules closest to each clustering center were extracted to form a drug-like and synthesizable diversity library. The selected 50,000 drug-like molecules have 46,744 unique Bemis-Murcko Scaffolds (BMS), each containing only 1-3 compounds. This diverse library is highly recommended for virtual screening and novel lead discovery.
  • HY-L0103V
    UORSY Screening Library
    		680,000 compounds
    UORSY Screening Compounds Library contains about 680,000 compounds. The library has extensively developed a polymerization synthesis method that provides a highly diverse chemical structure. More than 85% of the compounds in the library have drug-like physicochemical properties, and more than 35% of the compounds have lead-like properties.
  • HY-L0093V
    Chemspace Scaffold derived set
    		10,119 compounds
    Diversity-based screening continues to be a vital tool for drug discovery. Efficiency and productivity can be improved by using screening libraries that offer maximum diversity whilst retaining drug-like properties. Chemspace Scaffold derived set composes 10,119 compounds, which including 3,373 scaffolds, 3 compounds per each. This library has exceptional coverage of drug-like chemical space.
  • HY-L912V
    MegaUni 10M Virtual Diversity Library
    		10,000,000 compounds
    With MCE's 40,662 BBs, covering around 273 reaction types, more than 40 million molecules were generated. Compounds which comply with Ro5 criteria were selected. Inappropriate chemical structures, such as PAINS motifs and synthetically difficult accessible, were removed. Based on Morgan Fingerprint, molecular clustering analysis was carried out, and molecules close to each clustering center were extracted to form this drug-like and synthesizable diversity library. These selected molecules have 805,822 unique Bemis-Murcko Scaffolds (BMS) with diversified chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.
  • HY-L0094V
    Chinese National Compound Library
    		1,398,968 compounds
    The Chinese National Compound Library (CNCL) composes 1.4 million compounds possessing diversified structures. Coupled with this library will be advanced sample handling, information management and quality control systems. Most compounds in the library are drug-like, conforming to “Lipinski’s Rule of Five”, such as MW < 500, logP < 5, Hydrogen Bond Donors < 5.
  • HY-L0091V
    Chemspace Lead-Like Compound Library
    		981,244 compounds
    Chemspace Lead-Like Compound Library contains 981,244 in-Stock lead-like compoundswith favorable physicochemical profiles and high Quantitative Estimation of Drug-likeness.
  • HY-L0116V
    Asinex Macrocycles for RNA Library
    		1,065 compounds

    Macrocycles are promising scaffolds for the design of novel RNA targeting molecules. This collection of macrocycles for RNA consists of very diverse, drug-like molecules which incorporate certain known RNA-recognition elements (e.g. nucleobase ring systems and analogs) distributed within macrocyclic rings or peripheral fragments. As macrocyclic molecules tend to be larger than traditional screening molecules, it is vital to carefully assess and control their physicochemical properties. All macrocycles have been tested for aqueous and DMSO solubility with cutoffs applied at 10 mM in DMSO and 50 µM in PBS (pH 7.4); PAMPA permeability has also been tested for representative set of macrocycles.
  • HY-L0121V
    MCE 10K Natural Product-like Compound Library
    		10,000 compounds

    Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.

    MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).
  • HY-L137
    Molecular Glue Compound Library
    		35 Compounds compounds

    Targeted protein degradation(TPD) is a novel and promising approach to new drug discovery and development. It shows great potential for treating diseases with “undruggable” pathogenic protein targets and for overcoming drug resistance. Molecular glues and PROTACs are both targeted protein degraders that have attracted the most attention.

    Molecular glues are small molecular degraders that mainly induce novel interaction between an E3 ligase and a target protein to form a ternary complex, leading to protein ubiquitination and subsequent proteasome degradation. Compared with PROTACs, molecular glues generally possess more favorable drug-like properties, such as lower MW, higher cell permeability, and better oral absorption. Molecular glues are emerging as a promising new therapeutic strategy.

    MCE supplies a unique collection of 35 molecular glues which target various proteins. MCE Molecular Glue Compound Library is a useful tool to conduct scientific research and disease mechanism study.

  • HY-L0105V
    InterBioScreen Synthetic Compounds Library
    		485,000 compounds
    InterBioScreen Synthetic Compounds Library contains about 485,000 immediately available compounds. The library is generated by very rigorously selecting the most interesting classes of compounds that are most likely to become new drugs or plant protection agents or veterinary preparations.
  • HY-L0087V
    Life Chemicals HTS Compound Collection
    		494,471 compounds
    Life Chemicals Collection of small organic molecules for high-throughput screening currently contains 494,471 off-the-shelf products. The Collection is being permanently replenished with de novo designed products having optimal physicochemical parameters for drug discovery.

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