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
Reach out to new chemical space breaking the availability bias: 11 000 000 000 molecules and beyond
Atomwise and Enamine to Advance Pediatric Oncology With the World’s First and Largest Ten Billion Compound Virtual Screen
10 Billion REAL compounds will be searched using AI powered drug screening platform to find novel small molecules for the treatment of pediatric cancers. In collaboration with academic researchers, Atomwise and Enamine said the “10-to-the-10 program” will seek to maximize the opportunity to develop drugs for new target proteins to inhibit cancer growth and metastasis. Read PRESS RELEASE >
The world’s largest collection of building blocks in stock: 172 456 and counting
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.
Atomwise, Enamine, and top university researchers collaborate to discovery novel small molecules for the treatment of pediatric cancers using the power of AI and novel chemistry.
Enamine and H. Lundbeck A/S (Lundbeck) announced the expansion of their research collaboration. Enamine will support Lundbeck’s in-house discovery chemistry competencies with three principal assets enabling Lundbeck to optimally identify and develop hit series in its multiple research programs. A large diverse library of 100 000 new screening compounds was done for hit finding activities on numerous therapeutic targets. Enamine’s make-on-demand REAL compounds are for efficient access to billions of novel chemical compounds. Enamine FTE increased dedicated team of chemists to effectively support Lundbeck on all hit related follow-up activities backed by immediate access to over 170 000 building blocks in Enamine’s inventory.
Enamine is a global supplier driven by people with passion to Chemistry. Over twenty years we have been committed to serving our customers in diversified markets ranging from screening libraries discovery to building blocks for medicinal chemistry and biological screening services. In order to meet their high expectations, we have gathered a team of motivated chemists and biologists and equipped our numerous labs and production facilities with state of the art equipment and quality control systems. We are constantly developing to address the challenges of dynamically evolving drug discovery industry.
With the thought of our customers, we have adopted high level of business process automation and resource management to timely deliver products of highest quality and competitive prices. Over the years we have created smart IT systems simplifying life for our employees and making business more efficient.
Express Lead Library
Readily accessible lead-like libraries based on Enamine's latest core building blocks with unique underrepresented structures
5.82 M compounds
Express Lead Library (ELL) is an extension of REAL database focusing on novel screening compounds that can be synthesized from the most recently synthesized building blocks. Having the largest building block inventory Enamine continues its expansion. Each month it is enriched with 2,000 new functionalized compounds synthesized in-house. Many of them feature results of our latest research in medchem-driven organic synthesis. Following our doctrine of accelerating drug discovery it’s important to make such chemotypes available for biological screening as soon as possible. We have selected only unusual building blocks that contain at least 2 rings or 7-membered rings. They are called “core building blocks” as they bear essential molecular complexity rendering novelty to the enumerated compound libraries. All terms of REAL database including synthesis time of 3 weeks with at least 85% success rate are also valid for supplies from ELL. It is recommended as an abundant source of selected novel compounds in Compound Collection Enhancement programs and virtual screening projects.
1 592 New building blocks synthesized in 2015-2017
Exclusivity. Over 90 % are offered on the market only by Enamine
Unique underrepresented structures. The selected building blocks have no close analogues in stock and have not been largely used for library synthesis: > 92 % have less than 25 derivatives in our stock screening collection
Essential molecular complexity. Fragment complexity > 600
ELL molecules
5.82 Million new compounds
Lead-like physicochemical profiles: MW < 350, sLogP < 3.5 or MW < 400, sLogP < 3, rotatable bonds < 6 (no long chains, < 4 open-chain atoms), aromatic rings < 3 (at least one heteroaromatic)
Balanced diversity, no singletons: 107 572 Murcko frameworks, > 5 molecules/framework, 92 % has < 100 molecules/framework
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