News and Events

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for December in case you have missed them.

Aliphatic Alcohols are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

This October, the article 'Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics' describing research of small molecule thrombin inhibitors for the oral application was published.

Knowledge of the protein structure and the pregnane X receptor (PXR) helped to overcome a persistent cytochrome P450 3A4 induction problem. After successful design, synthesis, and testing, researches selected series "BAY 1217224" for further development.

This July, a group of researchers published an article 'Non-Classical Phenyl Bioisosteres as Effective Replacements in a Series of Novel Open Source Antimalarials'. The paper describes the study of some analogs of phenyl group in a series of drug candidates against malaria. The results show that cubane and closo-carborane analogues exhibit improved in vitro potency while bicyclo[1.1.1]pentane (BCP) analogue is equipotent against Plasmodium falciparum (compared to the parent phenyl-containing compound). The former analogs show some changes in metabolic stability.

In April 2020, a group of researchers published an article 'Design and Synthesis of 56 Shape‐Diverse 3D Fragments'.
The paper describes a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments which occupy under-represented areas of fragment space. These 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Comparing these 3D fragments with six commercial libraries, the authors showed that the new collection has high three‐dimensionality and shape diversity.

This November, Lonafarnib (ZOKINVY) received approval by the FDA as a drug to reduce the risk of death due to Hutchinson-Gilford progeria syndrome and for the treatment of certain processing-deficient progeroid laminopathies in patients one year of age and older.
Lonafarnib, a farnesyltransferase inhibitor, is an oral medication that helps prevent the buildup of defective progerin or progerin-like protein.

This drug contains 4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene moiety in its backbone.

We have made a set of Building Blocks, which contain such part – the perfect start for your research!

1,3-Dioxane-5-Amines are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Now you can specify the type of products while submitting your query on Chemspace, the largest online catalog of small molecules! Please, try this link!

Thanks to everyone for joining the webinar yesterday! For those who didn’t have a chance to connect, the recording is already available!

Dear friends and colleagues!

Join the Chemspace & BioSolveIT Webinar 'Chemical Space Docking: Mining Billions of On-Demand Molecules in 3D', which will take place Tomorrow at 5:00 PM (CET).

In this webinar, we introduce the docking of combinatorially describable billion-sized chemical spaces such as Enamine’s REAL Space, or WuXi’s GalaXi®.

Register for the webinar now!

At Chemspace, we are willing to provide our users with various tools and services to simplify the selection of the compounds from our database. Among the tools, we have fast online chemical search, custom library preparation, compound sets, – to name a few.
Heavy fragments are one of two Chemspace element-focused libraries.

Please, сontact us at [email protected] for more details.

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for November in case you have missed them.

This September, the article 'Driving Potency with Rotationally Stable Atropisomers: Discovery of Pyridopyrimidinedione-Carbazole Inhibitors of BTK' describing discovery of a potent, reversible inhibitor of the Bruton's tyrosine kinase (BTK) "BMS-986143" was published.

Two rotationally stable atropisomeric axes in this compound provide a potent and selective single atropisomer with desirable efficacy and tolerability profiles against targets responsible for many autoimmune diseases.

"BMS-986143" contains 9H-carbazol moiety in its backbone. We have made a set of in-stock compounds, which have such part – the perfect start for your research!

Dear friends and colleagues!

Join the Chemspace & BioSolveIT Webinar 'Chemical Space Docking: Mining Billions of On-Demand Molecules in 3D', which will take place at 5:00 PM (CET) on December, 9.

In this webinar, we introduce the docking of combinatorially describable billion-sized chemical spaces such as Enamine’s REAL Space, or WuXi’s GalaXi®.

Register for the webinar now!

Hetaryl Halides are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Please discover our Framework-Derived Set – a new approach we offer to surf the Chemspace database!

This set is a small but diverse representative library of the Chemspace Screening set. We believe that library design based on the frameworks makes hit expansion and structure-activity studies easy to achieve. From the lead-like part of our in-stock screening collection, we have carefully selected the compounds that have at least 2 "siblings" in means of frameworks. The collection was also prior filtered from PAINS and other undesirable moieties.

To expand the selection, please contact us at [email protected].

In July 2020, Fostemsavir (RUKOBIA) received approval by the FDA as a new type of antiretroviral medication for adults living with HIV/AIDS.

It is indicated for the treatment of HIV-1 in heavily treatment-experienced patients with multidrug-resistant HIV-1 infection failing their current antiretroviral regimen caused by resistance, intolerance, or safety considerations. Fostemsavir is an HIV-1 glycoprotein 120-directed attachment inhibitor. By blocking this highly conserved area of the virus, it prevents initial viral attachment to the host CD4+ T cell and entry into the host immune cell. Such a path of action is first for HIV drugs.

Fostemsavir contains 1H-pyrrolo[2,3-c]pyridine moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!

Searching analogs to compounds with the known activity is helpful in hit expansion and repurposing projects. ChEMBL database has become an important reference tool containing information on binding, ADME/T, and pharmacologics of small molecules.
From our Screening collection, we have selected the in-stock compounds similar to the know actives from ChEMBL (Tanimoto similarity coefficient 0.6 and higher, Morgan 2 fingerprints, 1024 bit), ChEMBL analogs. Additionally, we have prepared a library of ChEMBL actives as a separate set (in-stock available).
You can download both sets from the website. For make-on-demand ChEMBL actives and ChEMBL analogs, please contact us at [email protected].

Thanks everyone for joining the webinar yesterday!
For those who didn’t have a chance to connect, the recording is already available: https://youtu.be/ouVCKIysav0

Dear friends and colleagues! Join ChemSpace Webinar ««chem-space.com: an overview», which will take place at 5:00 PM (CET) tomorrow, on November 11. During the webinar we will focus on such topics as: - How does chem-space.com works?...

Alkyl Halides are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

In August 2020, the article 'Aryl Ether-Derived Sphingosine-1-Phosphate Receptor (S1P1) Modulators: Optimization of the PK, PD, and Safety Profiles' describing efforts aimed at increasing the in vivo potency and reducing the elimination half-life among drug candidates against Multiple Sclerosis (MS) was published.

"Compound 3d" was developed as a prodrug that is phosphorylated in vivo to form a potent sphingosine-1-phosphate receptor (S1P1) modulator and possess a shorter predicted human half-life (5 days). "Compound 3d" contains amino-cyclopentyl-methanol moiety in its backbone.

We have made a set of compounds, with analogs of such part – the perfect start for your research!

Discover our new Pre-Plated Covalent Fragments set!

5000 high-quality ready-to-screen compounds pre-plated into 5 subsets.

From this library, cherry-picking is available platewise.

On request, we can prepare more plates with the compounds from our Covalent Fragments and Covalent Modifiers.

Contact us at [email protected] for more details.
Please discover numerous other Chemspace compound sets: https://chem-space.com/compounds

Meet Chemspace Monthly Digest! 

Here is a summary of all Chemspace news and highlights for October in case you have missed them.

In August 2020, Oliceridine (OLYNVIK) received approval by the FDA for the treatment of acute severe pain in adults. It is an opioid intravenous drug that is a functionally selective μ-opioid receptor agonist.
Oliceridine educes robust G protein signaling, with potency and efficacy similar to morphine, but with far less β-arrestin 2 recruitment and receptor internalization and it displays less adverse effects than morphine.
Oliceridine contains 6-oxaspiro[4.5]decan moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!