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  4. Ion Channel Lead-like Compound Library
Ion Channel Lead-like Compound Library

Cat. No.: HY-L923

Ion channels are key proteins on the cell membrane that regulate the flow of ions across membranes. They participate in nearly all physiological processes, including nerve conduction, muscle contraction, heart rhythm, and pain perception. Abnormalities in their function can lead to various serious diseases such as arrhythmia, epilepsy, hypertension, neuropathic pain, and cancer. Therefore, ion channels are highly valuable drug targets—over 15% of approved drugs target ion channels currently, demonstrating their irreplaceable therapeutic value in cardiovascular, neurological, and analgesic fields.

MCE has collected a library of over 5,000 reported ion channel-related bioactive compounds targeting major sites such as Na+ channels, K+ channels, Ca2+ channels, GABA receptors, iGluRs, and others. Using AI models, these compounds are characterized through both 2D representations (molecular fingerprints, pharmacophores) and 3D representations (3D conformation) to screen for a collection of lead-like compounds highly similar to known active molecules. Additionally, an hERG channel prediction algorithm integrating XGB and ISE mapping strategy is employed to assess and exclude potential cardiotoxicity in the library.. This step significantly reduces safety risks in subsequent screenings, particularly for ion channel drug development related to cardiovascular systems (e.g., Nav1.5, Cav1.2), effectively minimizing failures due to hERG inhibition and serving as a valuable tool for ion channel drug screening.

  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
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Description & Advantages

•    A unique collection of 9,000 ion channel lead-like compounds is available for high throughput screening (HTS) and high content screening (HCS).

•    All compounds have been using AI models to generate a collection of lead-like compounds highly similar to known active molecules.

•    The potential cardiac toxicity of compounds in the collection is assessed using an hERG channel prediction algorithm that integrates XGB and ISE mapping strategies.

•   All compounds are available off the shelf.

•   Validated by LCMS or NMR to ensure high purity and quality.

Product Details

Formulation:

The collection of 9000 compounds obtained through AI screening and hERG channel prediction algorithm screening, making it a valuable tool for the discovery of ion channel drugs.

Layout:

96-well storage tube or 96-well plate: 1st and 12th column are left empty.
384-well plate: the first two columns and the last two columns are left empty.
Compounds with different concentrations or dissolved in different solvents will be put on separate plates. This way of layout may increase the number of plates because there could be three solvents and three concentrations.
If you have other requirements, please let us know.

Container:

96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.

Storage:

-80°C

Shipping:

Blue ice or dry ice

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  •  Specific Compounds
  •  Quantities
  •  Plate Map
  •  Concentration
  •  Form (Solid or Solution)
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    Product Name:
    Ion Channel Lead-like Compound Library
    Cat. No.:
    HY-L923
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    • 96-well Plate with Peelable Foil Seal
    • 384-well Microplate with Peelable Foil Seal
    • 96-well Storage Tubes with Rack
    • 96-well Plate with Peelable Foil Seal
    • 384-well Microplate with Peelable Foil Seal
    • 96-well Storage Tubes with Rack

    Request for SDF File

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