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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:
172 456 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 June 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

Discovery Diversity Sets

High-quality diverse library of latest compounds

10 560 and 50 240 compounds

The success of high throughput screening in finding decent starting points for drug discovery heavily depends on the quality of the compound library. Understanding of which compounds are desirable and which ones are to be avoided has been evolving rapidly over the last 15 years since introduction by Chris Lipinski his “Rule of 5”. The concepts of drug- and lead-likeness have been revised many times and complemented with MedChem refinement and PAINS exclusion filters. It was, however, commonly admitted that screening of the compound libraries designed using only appropriate molecular criteria does not guarantee identification of quality hits that can quickly and inexpensively furnish lead compounds. Researchers have begun to scrutinize selection of the compounds to screen. The screening libraries must bear an essential degree of novelty, possess contemporary lead-like properties and be built on “live” chemistry that can supply related chemical entities.

Only between 2014 and 2016 Enamine synthesized over 430 000 non-exclusive screening compounds, which feature our new diversity of Enamine-exclusive building blocks and scaffolds. Having the largest commercial screening collection in the world, Enamine remains the only library producer that keeps enhancing its collection with significant number of new compounds each year. The renowned Enamine quality of compounds has been distilled in the design of two Discovery Diversity Sets (DDS). They compose of 10 and 50 thousand highly diverse compounds produced only within last three years. Discovery Diversity Sets are based only on the lead-like compounds including representatives of all three screening collections of Enamine – HTS, Advanced, and Premium. The two sets do not overlap and deliver a total of 60 thousand compounds. The Discovery Diversity Sets are highly recommended for random screening against new as well as popular targets because they are based on diverse novel scaffolds and latest building blocks. The hits discovered are expected to easily yield lead compounds. They can be readily followed with analogues either from stock or from new syntheses. All building blocks are readily available from Enamine stock.

Key features

  • Novel compounds
  • No singletons, 3-5 compounds per cluster
  • 4 912 Bemis-Murcko frameworks (DDS 50)
  • No PAINS, only medchem friendly compounds
  • Express follow-up guaranteed

Comparative analysis of DDSs and commercially available compounds

74% of the compounds from DDS 10K and 70 % from DDS 50K are available exclusively at Enamine

Reference database of 16.8M commercially available compounds from 33 vendors were collected from Zinc and eMolecules.

Examples of the molecules

Z1885611703

Z1885611703
MW 358
ClogP 1.89

Z2017826378

Z2017826378
MW 302
ClogP 1.38

Z2060539340

Z2060539340
MW 307
ClogP 0.43

Z1647886734

Z1647886734
MW 273
ClogP 2.43

Z1683527071

Z1683527071
MW 298
ClogP 2.19

Z1640823403

Z1640823403
MW 325
ClogP 2.78

Z2054188929

Z2054188929
MW 342
ClogP 1.5

Z1727361122

Z1727361122
MW 275
ClogP 1.10

Z1461770453

Z1461770453
MW 338
ClogP 1.97

Z1846299521

Z1846299521
MW 316
ClogP 2.02

Z1265264308

Z1265264308
MW 346
ClogP 2.93

Z2053432847

Z2053432847
MW 261
ClogP 0.51

Z30996552

Z30996552
MW 362
ClogP 2.99

Z1850142310

Z1850142310
MW 301
ClogP 1.73

Molecular properties

DDS 10K

DDS 50K

Library Formats

Item
Catalog #
# of compounds
Amount
Plates and format

Item

1

Catalog #

DDS-10-Y-0

# of compounds

10 560

Amount

Assay-ready plates,
≤2 µL of 10 mM
DMSO solution

Plates and format

384-well, 320 cpds per plate:
first two and last two columns empty

Item

2

Catalog #

DDS-10-Z-0

# of compounds

10 560

Amount

Assay-ready plates,
≤2 µL of 10 mM
DMSO solution

Plates and format

1536-well plates, 1280 cpds per plate:
first two and last two columns empty

Item

3

Catalog #

DDS-10-Y-50

# of compounds

10 560

Amount

50 µL of 10 mM
DMSO solution

Plates and format

384-well plates (Matrix Cat. No 4312),
320 cpds per plate: first two and last two columns empty

Item

4

Catalog #

DDS-10-X-100

# of compounds

10 560

Amount

100 µL of 10 mM
DMSO solution

Plates and format

96-well plates (Matrix Cat. No 4919),
80 cpds per plate: first and last columns empty

Item

5

Catalog #

DDS-50-Y-0

# of compounds

50 240

Amount

Assay-ready plates,
≤2 µL of 10 mM
DMSO solution

Plates and format

384-well plates, 320 cpds per plate:
first two and last two columns empty

Item

6

Catalog #

DDS-50-Z-0

# of compounds

50 240

Amount

Assay-ready plates,
≤2 µL of 10 mM
DMSO solution

Plates and format

1536-well plates, 1280 cpds per plate:
first two and last two columns empty

Item

7

Catalog #

DDS-50-Y-50

# of compounds

50 240

Amount

50 µL of 10 mM
DMSO solution

Plates and format

384-well plates (Matrix Cat. No 4312), 157 plates,
320 cpds per plate: first two and last two columns empty

Item

8

Catalog #

DDS-50-Y-100

# of compounds

50 240

Amount

100 µL of 10 mM
DMSO solution

Plates and format

96-well plates (Matrix Cat. No 4919), 628 plates,
80 cpds per plate: first and last columns empty

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