News and Events

Recently, a group of researchers from Ukraine (Enamine, Taras Shevchenko National University of Kyiv, Chemspace, UORSY) published an article on Generating Multibillion Chemical Space of Readily Accessible Screening Compounds.

The paper describes an approach to the expansion of the chemical space of the readily synthesized compounds adding 29 more billion. The number is still far from the estimated 10^62 molecules but we hope to see more papers like the above to expand the accessible chemical space.

This January, the article 'Discovery of JNJ-63576253: A Clinical Stage Androgen Receptor Antagonist for F877L Mutant and Wild-Type Castration-Resistant Prostate Cancer (mCRPC)' describing lead optimization process of a pan-AR antagonist with potent activity against wild-type and clinically relevant AR mutations was published.

The result of this led JNJ-63576253 (also known as TRC-253) to a clinical stage as a next-generation AR antagonist for the treatment of castration-resistant prostate cancer (CRPC).

Thanks everyone for joining the Chemspace & John Irwin webinar "Ultra Large Scale Docking for Receptor Deorphanization" yesterday!

For those who didn’t have a chance to connect, the recording is already available!

Dear friends and colleagues!

Join the Chemspace & UCSF Webinar 'Ultra Large-Scale Docking for Receptor Deorphanization', which will take place at 5:00 PM (CET) / 8:00 AM (PST) TOMORROW.

Register via the link now!

Meet Chemspace Monthly Digest! 

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

Fluorinated 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!

Umbralisib (UKONIQ) was approved by FDA in February 2021 for the treatment of marginal zone lymphoma (MZL) and follicular lymphoma (FL).

It is an orally available kinase inhibitor including PI3K-delta and casein kinase CK1-epsilon. Umbralisib targeting the delta isoform of PI3K with nanomolar potency and several-fold selectivity over the alpha, beta, and gamma isoforms of PI3K.

This drug contains 1H-pyrazolo[3,4-d]pyrimidine moiety in its backbone.

We have made a set of Building Blocks, that contains such parts – the perfect start for your research!

Dear friends and colleagues!

Join the Chemspace & UCSF Webinar 'Ultra Large-Scale Docking for Receptor Deorphanization', which will take place at 5:00 PM (CET) / 8:00 AM (PST) on March, 4.

Register via the link now!

Looking for a source to start a Virtual Screening campaign?

Need access to a diverse Chemical Space provided by reliable suppliers?

Choose Chemspace!

Last October, a group of researchers published a study that describes usage of strategy to improve activity of amines and azoles through installation of N-trifluoromethyl group and investigation of their properties. Comparing the stability of N-trifluoromethyl amines and N-trifluoromethyl azoles in aqueous media showed that the latter compounds are stable, and the former ones are prone to hydrolysis. The authors also showed that the N-trifluoromethyl azoles have higher lipophilicity than N-methyl analogs and can show increased metabolic stability and Caco-2 permeability.
We at Chemspace have selected two sets with derivatives of N-trifluoromethyl-imidazole and N-trifluoromethyl-pyrazole.

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

Phenols 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.

Dear friends and colleagues! Join the Chemspace & Molecular Forecaster Webinar 'Democratizing computer-aided drug design with accessible services, software, and molecules', which will take place at 5:00 PM (CET)/11:00 AM (EST) TOMORROW.

We are happy to announce a new content series inspired by Drug Hunter’s “Small Molecules of the Month” series (drug-hunter.com)!

Drug Hunter’s “Small Molecules of the Month” articles provide insights on recent developments in drug discovery including recently published biological tool compounds, lead molecules, and drug candidates. Chemspace can support additional research in these areas with commercial samples of these new molecules as well as their analogs selected from the largest catalog of over 6.5M off-the-shelf and 1.6B made-on-demand small molecules from world-renown vendors.

This January, Vericiguat (VERQUVO) received approval by FDA as a drug for patients who have symptomatic, chronic heart failure with reduced ejection fraction (HFrEF).

It targets cyclic guanosine monophosphate (cGMP), as a means to lower the risk of cardiovascular events in high-risk patients. Vericiguat stimulates soluble guanylate cyclase (sGC) to produce cGMP and restore nitric oxide sensitivity. By increasing cGMP production, Vericiguat decreases arterial constriction and arterial stiffness.

Meet Chemspace Monthly Digest! 

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

Dear friends and colleagues!
Join the Chemspace & Molecular Forecaster Webinar 'Democratizing computer-aided drug design with accessible services, software, and molecules', which will take place at 5:00 PM (CET)/11:00 AM (EST) on February, 11.

Aliphatic Sulfonylhalides 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.

Thanks 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!
We are happy to announce that Selleck Chemicals has joined Chemspace platform!
Selleck Chemicals actively tracks the latest science publications so customers can rely on them as the leading supplier of the newest bioactive compounds and probes.
Now more than 6 000 compounds supplied by Selleck Chemicals are available via Chemspace!

Dear friends and colleagues!
Join the Chemspace & Enamine Webinar 'Research at Enamine: a review of recent scientific publications', which will take place Tomorrow at 5:00 PM (CET).
In this webinar, Dr. Oleksandr Grygorenko will give a talk on recent papers from the Scientific Support Department and its collaborators, providing a brief view on a huge diversity of chemistries done at Enamine Ltd.

Last October, the article 'Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1α Inhibitory Activity' describing identification of a potent inhibitor of the unfolded protein response (UPR) regulating potential anticancer target IRE1α was published.

Substitution of the amino-quinazoline moiety in initial clinical candidate to amino-thienopyrimidine (“Compound 25”) shows more than the 1000-fold decrease in BRaf activity with the same good IRE1α cellular potency.

Dear friends and colleagues!
Join the Chemspace & Enamine Webinar 'Research at Enamine: a review of recent scientific publications', which will take place at 5:00 PM (CET) on January, 28.
In this webinar, Dr. Oleksandr Grygorenko will give a talk on recent papers from the Scientific Support Department and its collaborators, providing a brief view on a huge diversity of chemistries done at Enamine Ltd.

Fluoro-Thiols 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 December 2020, Relugolix (ORGOVYX) received approval by the FDA for the treatment of adult patients with advanced prostate cancer.

It is a selective antagonist of the gonadotropin-releasing hormone receptor (GnRHR). Unlike most other GnRH modulators, Relugolix is a non-peptide and small-molecule compound and is orally active.

This drug contains 2-aminothiophene-3-carboxylic acid moiety in its backbone.

We have made a set of Building Blocks, which contain Thiophene, 1H-Pyrrole and Furan carboxylic acid parts – the perfect start for your research!