News and Events

Spiro 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!

Dear friends and colleagues!

Join Chemspace & CrystalsFirst Webinar 'How to optimize the fragment hit rate: take protein crystals first', which will take place at 5:00 PM (CET) / 8:00 AM (PST) on April 13th, 2021.

Register via this link now!

Happy Easter!

Let's celebrate with hope, love, and good health!

Stay safe!

Your Chemspace Team.

New version of Enamine REAL Space is now searchable through Chemspace!

You can access 17.7 Billion molecules here!
Many thanks to Enamine (https://www.enamine.net) for creating the largest synthetically accessible space and BioSolveIT (https://www.biosolveit.de) for developing an incredible search tool!

In 2020, a group of researchers from University of Michigan published a Viewpoint that describes an approaches to mitigate aniline-related toxicities of drugs and drug candidates with the help of saturated isosteres of aniline.

The authors showed that the great part of drugs with idiosyncratic adverse drug reactions (IADRs) were caused by aniline bioactivation and reactive metabolite (RM) formation.

We at Chemspace have selected sets with derivatives of these four bioisosteres of aniline - aminoBCP, aminoBCO, aminoCUB, aminoNB.

We are happy to continue our new inspired by Drug Hunter’s “Small Molecules of the Month” series!

Here are two molecules which were recently highlighted by Drug Hunter!

Halogenated Heteroaromatic Carboxylic Acids 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 Chemspace & Bienta Webinar ‘From Chemistry to Biology in less than one week’ yesterday!

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

Dear friends and colleagues!

Join the Chemspace & Bienta Webinar ‘From Chemistry to Biology in less than one week’, which will take place at 5:00 PM (CET) / 9:00 AM (PST) TOMORROW (March, 18)!

New semester has begun, to support the researchers and students’ research after a long-time interrupt by the pandemic, TargetMol is releasing a new marketing promotion.

Dear friends and colleagues!

Join the Chemspace & Bienta Webinar ‘From Chemistry to Biology in less than one week’, which will take place at 5:00 PM (CET) / 9:00 AM (PST) on March, 18.

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.