News and Events
6 October 2020
News Digest. September 2020
Meet Chemspace Monthly Digest!
Here is a summary of all Chemspace news and highlights for September in case you have missed them.
2 October 2020
Chemspace-Hitgen Webinar Announcement
Dear friends and colleagues!
We would like to invite you to join Chemspace Webinar 'DNA-Encoded Chemical Library at HitGen: Principle, Practice and Application', which will take place at 2:00 PM (CET) on October, 15.
Please Sign in to the webinar!
30 September 2020
Building Blocks for DEL
DNA-encoded chemical libraries (DEL) is an emerging technology that combines benefits from both high-throughput screening and display technologies. The use of DELs allows to cover enormous chemical space within a surprisingly short time and at a low cost.
DELs are built on “core” building blocks – molecules with 2-3 variation points that are either orthogonal or protected with orthogonal protective groups. Core molecules are decorated with traditional building blocks – compounds with one functionality.
Chemspace offers high-quality Building Blocks suitable as cores and as decorators for DEL.
The In-Stock sets are downloadable from the website; 2-functional and 3-functional "Core" blocks and decorators are available as separate files.
28 September 2020
Molecules of This Week are Heteroaromatic Nitriles
Heteroaromatic nitriles 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.
24 September 2020
Chemspace-Iktos Webinar Record
Thanks everyone for joining the Chemspace-Iktos webinar 'Retrosynthesis in the AI era: opportunities and pitfalls' yesterday!
For those who didn’t have a chance to connect, the recording is already available: https://bit.ly/2G9ZHBi
22 September 2020
Tomorrow Chemspace-Iktos Webinar
Dear friends and colleagues!
We would like to invite you to join Chemspace Webinar 'Retrosynthesis in the AI era: opportunities and pitfalls', which will take place at 5:00 PM (CET) on September, 23.
17 September 2020
REAL space for scaffold hopping
Last August, a group of researchers from Germany and Ukraine, published an article 'SAR by space: enriching hit sets from the chemical space' (DOI:10.3390/molecules24173096), which describes the application of a new "REAL space" concept for mining compounds from vast chemical spaces. The "REAL space" is the world's largest collection of commercially available compounds now containing approximately 13.14 billion molecules, generated from in-stock building blocks based on 183 Enamine synthesis protocols.
Navigation in the REAL Space is a great opportunity for efficient hit finding including scaffold hopping possibilities. Such capabilities of scaffold hopping allow you to explore IP free areas as well as exclude molecules with undesirable physicochemical and ADMET properties. All these compounds could be made on-demand with a high success rate (above 80 %) within 3-4 weeks. Please try this tool on our website: https://chem-space.com/real-space!
In case of any questions just drop us a line: firstname.lastname@example.org.
14 September 2020
Molecules of the week-Heteroaromatic sulfonyl halides derivatives
Heteroaromatic sulfonyl halides derivatives 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.
11 September 2020
Building Block Analogs of Pralsetinib
This September, Pralsetinib (GAVRETO) received approval by FDA for the treatment of adults with metastatic rearranged during transfection (RET) fusion-positive non-small cell lung cancer (NSCLC). RET-activating fusions and mutations are key disease drivers in many cancer types, including NSCLC and medullary thyroid cancer (MTC). GAVRETO inhibits primary RET fusions and mutations that cause cancer in subsets of patients, as well as secondary RET mutations predicted to drive resistance to treatment.
Pralsetinib contains cyclohexyl pyrimidine moiety in its backbone. We have made a set of Building Blocks, which contain such part – the perfect start for your research!
8 September 2020
Now 3 times more - 240 million chemical building blocks!
Now with more than 240 million chemical building blocks from numerous suppliers, Chemspace offers the most comprehensive coverage of the chemical space available through a single source!
4 September 2020
Pre-Plated RNA-targeted library
Targeting RNA with small molecules was suggested after discovering “druggability” of the nucleic acids similar to that of proteins.
The targeting could be aimed at cell processes for the treatment of a multitude of diseases including bacterial/viral infection and cancer.
Our Pre-Plated RNA-targeted Library consists of drug-like compounds and provides an excellent basis for drug discovery projects: https://bit.ly/31Za83u
Chemspace's Pre-Plated RNA-targeted library includes:
~ 15 RNA patterns riboswitches and phosphate binding motifs associated with bacterial and viral infections
~ 4500 compounds from Screening Compound Collection utilizing both ligands- and target-based approaches
~ compounds similar to the known RNA binders with high predicted activity
For more details, please contact us at: email@example.com.
2 September 2020
Drug Candidate Analogs. "Compound 19"
In June 2020, the article 'Brain Penetrable Inhibitors of Ceramide Galactosyltransferase for the Treatment of Lysosomal Storage Disorders' (https://bit.ly/3j4lvfS) describing the discovery of "Compound 19" as a selective brain-penetrant inhibitor of the ceramide galactosyltransferase UGT8 was published. This drug candidate shows excellent oral PK/PD in the brain model and is intended for use in substrate reduction therapy for rare lysosomal storage disorders (e.g. Metachromatic Leukodystrophy, MLD). "Compound 19" contains thieno[3,2-b]pyridine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/3ho12lS
31 August 2020
Molecules of This Week are Spiro/Aliphatic Hydantoin Derivatives
Spiro- and aliphatic imidazolidine-2,4-dione derivatives 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.
28 August 2020
Recording of Webinar. Aug 27, 2020
Thanks everyone for joining the webinar yesterday! For those who didn’t have a chance to connect, the recording is already available.
26 August 2020
Join our webinar
Join our webinar, which will take place TOMORROW at 5:00 PM (CET)! Register now by the link: https://bit.ly/2POex2j
24 August 2020
Drug Discovery Chemistry Virtual
Have a chat with Yurii and Oleksii during this year virtual Drug Discovery Chemistry!
20 August 2020
Building Block Analogs of Risdiplam
Risdiplam (EVRYSDI), approved by FDA in August 2020, is designed for the treatment of SMA. It contains imidazo[1,2-b]pyridazine moiety. We have created a set of BBs with such part:
18 August 2020
Drug Candidate Analogs. 'MRTX849'
In April 2020, the article 'Identification of the Clinical Development Candidate MRTX849, a Covalent KRAS G12C Inhibitor for the Treatment of Cancer' (https://bit.ly/317MscI) describing the discovery of MRTX849 as a potent, selective covalent inhibitor of KRAS G12C, that bind in the switch-II pocket of KRAS, was published. Now this drug candidate is in a Phase 1/2 trials in patients with advanced solid tumors (Non-Small Cell Lung Cancer and Colorectal Cancer) with KRAS G12C mutation. MRTX849 contains 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/2DUM5JO
14 August 2020
Spiro Fragments Library
Spiro Fragments Set = 3K in-stock + 37K make-on-demand compounds.
All compounds in the set have at least 1 spiro moiety, accord with the Ro3, and are free of PAINS and toxic fragments.
For more information please contact us at firstname.lastname@example.org.
13 August 2020
Chemspace Webinar on August, 27
Dear friends and colleagues!
We would like to invite you to join Chemspace Webinar 'Artificial Intelligence (AI) Solutions for Computational and Organic Chemistry Tasks', which will take place at 5:00 PM (CET) on August, 27.
10 August 2020
The Molecules of This Week are N-Heterocycles derivatives
Halogen acetylene derivatives of the N-heterocycless are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research.
6 August 2020
Drug Candidate Analogs. BAY1161909
In April 2020, the article 'Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, Targeting MPS1 Kinase' describing the results of drug discovery from HTS and SBDD was published. BAY1161909 contains substituted [1,2,4]triazolo[1,5-a]pyridin moiety. We have created a set of BBs with such part:
5 August 2020
General Fragments library
Our General Fragments library consists of
➤ 94K in-stock + 390K the make-on-demand set small molecules that
✔ accord with the Rule of 3
✔ contain no PAINS
✔ are filtered from toxic/highly reactive compounds by the in-house filters.
4 August 2020
Building Block Analogs of Capmatinib
Capmatinib (TABRECTA), approved by FDA in May 2020, is designed for the treatment of non-small cell lung cancer. It contains 2-fluoro-N-methylbenzamide moiety. We have created a set of BBs with such part:
31 July 2020
Thank you all for participating in the webinar yesterday!
For those who did not have the opportunity to connect, the recording is already available https://www.youtube.com/watch?v=eoQdx1HoZuI