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Reach out to new chemical space breaking the availability bias:
14 000 000 000 molecules and beyond

REAL compounds

NEWS

Feb 20, 2020

Feb 20, 2020

New chemotypes from virtual libraries: screening of Enamine REAL Database reveals in vivo hits

Melatonin (MT) receptors are established drug targets for aligning circadian phase in disorders of sleep and depression. But there are only a few in vivo hits reported to date. Enamine scientists along with the scientists from UCSF, UNC, USC, and other institutions participated in the research study aimed to fill the gap in therapeutics of these receptors. Read More >

Ref.: Nature 2020, in press

Run HTS directly at Enamine or have your copy from
Ever-expanding collection of 3 million compounds

Screening Libraries & HTS

NEWS

Dec 12, 2019

Dec 12, 2019

New RNA targeted library has been created!

“The number of targets, the number of diseases that one could go after by targeting RNA, is almost unimaginable,” says Matt Disney, a chemist at the Scripps Research Institute.

In response to growing interest and recent advancements in targeting RNA our experts designed dedicated library of small molecules predicted to bind to RNA targets. In contrast to the classical protein targets and disease treatment, drugging RNA reveals absolutely new way to treat and prevent different disorders.

Our freshly-made library is ready for fast shipment within a week in various custom formats.

RNA Library contains 8 960 compounds. Read more>>

120 000 Fragment compounds
including 10 000 covalent binders

Fragments

NEWS

June 25, 2019

June 25, 2019

Enamine’s covalent fragments
produce potent and unique hits

In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.

A refined library used in the research with a few frequent hitters and excessively reactive fragments removed is available from Enamine on request >

Ref.: J. Am. Chem. Soc. 2019, 141, 8951−8968

The world’s largest collection of building blocks in stock:
184 345 and counting

New Building Blocks

A broad test panel to support lead discovery
Integrated projects or a-la-carte service

ADME/T & in-vivo PK

Scientific research and development of techniques for the synthesis of organic compounds

High Fidelity Fragments

High Fidelity Library

Fragments of high MedChem tractability  

REAL Database

The largest enumerated database of synthetically feasible molecules

Functional Compounds

Impurity Reference Standards
 

Covalent Fragments

Covalent Fragments

Diverse covalent warheads with balanced reactivity

2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from January 2020

Recent News

  • 20 February 2020   News

    New chemotypes from virtual libraries: screening of Enamine REAL ...

    Melatonin (MT) receptors are established drug targets for aligning circadian phase in disorders of sleep and depression. But there are only a few in vivo hits reported to date. Enamine scientists along with the scientists from UCSF, UNC, USC, and other institutions participated in the research study aimed to fill the gap in therapeutics of these receptors.

  • 19 November 2019   Press Releases

    Optibrium collaborates with Enamine and BioSolveIT to add REAL ...

    Optibrium™, BioSolveIT™ and Enamine™ today announce a three-way collaboration enabling efficient search of Enamine’s REAL Space directly from within Optibrium’s StarDrop™ software. This extension to StarDrop is powered by BioSolveIT’s proprietary Feature Trees (FTrees) technology, to search a gigantic chemical space of over 11 billion readily accessible compounds and identify novel compounds that are similar to a query structure of interest. The resulting chemical structures and data are pre-formatted and ready to evaluate using StarDrop’s comprehensive suite of integrated software for small molecule design, optimisation and data analysis.

    Read press release

  • 05 November 2019   Press Releases

    Cyclica Collaborates With Enamine to Use REAL Technology in ...

    Cyclica, Inc. announced a collaboration with Enamine Ltd. to explore its huge readily accessible chemical space using Cyclica’s state-of-the-art AI-driven Ligand Design™ platform. The companies aim to empower Cyclica’s patented, evolutionary algorithm with new design options based on the 73,000 Enamine’s in-stock building blocks and 171 thoroughly validated synthesis procedures. The joint effort is expected to enable Cyclica’s Ligand Design™ to identify novel molecules with desired polypharmacological properties out of over 11 billion REAL™ (readily accessible) compounds. At least 80% of these compounds will be synthesized by Enamine within only 3-4 weeks.

    Read press release

Upcoming events

Wnt/sFRP-1 Interaction Inhibitors Library

#

1 346 compounds

This selection of small molecules takes into consideration Wnt/sFRP-1 (Secreted Frizzled Related Proteins) interaction. sFRP-1 family of proteins include endogenous molecules that bind both Wnt ligands and Fz receptors.

Fig. 1.Epigenetic inactivation of negative regulators of WNT signaling. (a) In cancer cells, epigenetic inactivation of SFRP and DKK enables β-catenin to translocate to the nucleus, which leads to activation of WNT signaling. (b) In normal cells, SFRP and DKK are associated with key WNT signaling molecules such as WNT ligands and LRP5/6, which prevent translocation of β-catenin to the nucleus (from Tohoku J. Exp. Med. 2010, 221, 11–17).

It is believed that inhibition of sFRP-1 would result in vicarious activation of Wnt signaling. In adition, WAY-316606 is a sFRP-1 inhibitor (K i= 80 nM) that was described to increase total bone area in a murine calvarial organ culture assay at < 1 nM concentration. It is also reported to be antiosteoporotic agent. WAY-262611 is a Wnt pathway agonist that increases bone formation rate with EC 50 of 0.63 uM in TCF-Luciferase assay. WAY-262611 exhibits good pharmacokinetic properties and a dose dependent increase in the trabecular bone formation rate in ovariectomized rats following oral administration. Specific attention needs to be paid to monitoring specific organ toxicity associated with a long-term perturbation of Wnt pathway including neoplasia(s), although recent data suggest otherwise. Current (sub)library size is 1 346 compounds.

Fig. 2.(a) Pharmacophore model based on WAY-316606; orange – aromatic/heteroaromatic groups, green-hydrophobic pharmacophore (halogen, CF 3, CHF 2, Me, Et, iPr etc.), blue-positively charged moiety ( +NH 3Alk, +NH 2Alk 2, +NHAlk 3etc.); (b) Superposition of WAY-316606 and our pharmacophore construct used in (sub)library design.

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