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Chelator Focused Library

Over the past 10 years, four main scientific strategies have emerged in traditional chelation therapy which include altering metal biodistribution, inhibiting specific metalloenzymes associated with a disease, enhancing the reactivity of a metal complex to promote cytotoxicity, and conversely, passivating the reactivity of metals by site-activated chelation to prevent cytotoxicity [1-2].

Chelation therapy is becoming more popular in the treatment of cardiovascular diseases [3] and neurological disorders, such as Alzheimer's [4] and Parkinson's disease [5]. The main strategy is to inhibit metalloenzymes that are associated with the above-mentioned diseases. Chelation therapy is also used in the treatment of heavy metal poisoning, due to the formation of a complex of a heavy metal ion and a chelating agent which will be more easily and quickly excreted from the organism [6].

Life Chemicals offers its new Chelator Focused Library of over 6,400 screening compounds that contain at least one chelating group. This Screening Set can be used to generate libraries (including libraries of fragments) targeting important metalloproteins by inhibiting their activity.

The compound selection can be customized based on your requirements, cherry picking is available.

Please, contact us at for any additional information and price quotations.

Make further advances in your R & D projects, taking best advantage of our related products:

Figure 1. The use of chelators in medicine.

Compound Selection

Over 6,400 screening molecules were picked out from the proprietary HTS Compound Collection based on a variety of metal-binding groups. Selected chelator types demonstrate binding metal ions and affinities to metalloproteins providing a diverse range of molecular platforms that can be used for design, synthesis, and screening lead-like chelating agents [7].

All molecules have passed substructure, similarity, and physicochemical property filters. The compound selection has been narrowed down according to an expanded Lipinski’s Rule of Five (see the table below). In addition, compounds with toxic, bad, and reactive groups have been filtered out from the library.

Parameter Value Average
MW 100 - 890 284
 ClogP - 0.3 to 11.2 1.7
Number of Rotatable Bonds ≤ 20 4.1
Number of H Donors  ≤ 5 1.8
Number of H Acceptors  ≤ 12 3.8
TPSA  < 260 85.4
logS  > - 7 - 2.6

Spatial structure of a catalytic subunit complex of protein phosphatase type 5 from cantharidin, with LC analog and Mn+2 ion molecules.

Figure 2. Spatial structure of a catalytic subunit complex of protein phosphatase type 5 from cantharidin, with LC analog and Mn+2 ion molecules.

Representative compounds from Chelator-focused Screening Library


  1. Franz K.J. Clawing back: broadening the notion of metal chelators in medicine // Curr Opin Chem Biol. 2013 Apr;17(2):143-9.
  2. Agrawal A., Johnson S.L., Jacobsen J.A., Miller M.T., Chen L.H., Pellecchia M., Cohen S.M. Chelator fragment libraries for targeting metalloproteinases // ChemMedChem. 2010. Feb 1;5(2):195-9.
  3. Li S, Zhang X. Iron in Cardiovascular Disease: Challenges and Potentials. Front Cardiovasc Med. 2021;8:707138. Published 2021 Nov 30. doi:10.3389/fcvm.2021.707138
  4. Singh SK, Balendra V, Obaid AA, et al. Copper-mediated β-amyloid toxicity and its chelation therapy in Alzheimer's disease. Metallomics. 2022;14(6):mfac018. doi:10.1093/mtomcs/mfac018
  5. Ward RJ, Dexter DT, Martin-Bastida A, Crichton RR. Is Chelation Therapy a Potential Treatment for Parkinson's Disease?. Int J Mol Sci. 2021;22(7):3338. Published 2021 Mar 24. doi:10.3390/ijms22073338
  6. Amadi CN, Offor SJ, Frazzoli C, Orisakwe OE. Natural antidotes and management of metal toxicity. Environ Sci Pollut Res Int. 2019;26(18):18032-18052. doi:10.1007/s11356-019-05104-2
  7. Hatcher H.C., Singh R.N., Torti F.M., Torti S.V. Synthetic and natural iron chelators: therapeutic potential and clinical use // Future Med Chem. 2009 Dec;1(9):1643-70.
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