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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

Reach out to new chemical space breaking the availability bias:
11 000 000 000 molecules and beyond

REAL compounds

NEWS

June 24, 2019

June 24, 2019

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:
174 123 and counting

New Building Blocks

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

Screening Libraries & HTS

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 July 2019

Recent News

  • 25 June 2019   News

    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.

  • 24 June 2019   Press Releases

    Atomwise and Enamine to Advance Pediatric Oncology With the ...

    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.

    Read press release

  • 26 March 2019   Press Releases

    Enamine extends multi-year drug discovery collaboration with Lundbeck

    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.

    Read press release

Upcoming events

Ro3 Fragment Library

General set of Ro3 compliant molecules for cherry-picking

[Ro3-F][/Ro3-F] compounds

Enamine’s design and synthesis capabilities allow the addition of more than 140 000 new organic compounds to its catalogue each year. Fast growth and permanent enhancement of our Building Block Collection with novel, top level synthetic chemistry molecules resulted in the world largest set of high quality fragments.

Enamine Ro3 Fragments comprise a remarkable number of new scaffolds and unique chemotypes within the widest range of molecular frameworks. The library does not include covalent modifiers and toxicophores, all industry affiliated exclusion filters and MedChem refinements have been applied.

Key features

  • [Ro3-F][/Ro3-F] molecules out of 2 633 614 Collection
  • Ro3 compliance – 100%, Heavy atoms 9…19
  • MedChem inspection & Chemotype control
  • Sensible Diversity – 32% mean Tanimoto distance (ECFP4)

Key benefits

The hits discovered from our fragments are expected to yield lead compounds fast and easily. Follow-up investigation can be readily performed with analogues available from stock, REAL database in one stage conversion or derived from new MedChem-driven synthesis. All required intermediates, core building blocks and decorating reagents are available from Enamine stock Collection.

Examples of the molecules in the library

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