Chemical Library

The French National chemical library (Chimiothèque Nationale) offers a diverse collection of more 80,000 compounds and 15,000 original  natural extracts. Packaged in a standardized form compatible with high- and medium-throughput screening, these compounds can be solicited in the framework of scientific collaborations, through simple, fast, inexpensive and legally protected procedures by a MTA (MTA_EN_GIS_CBF.pdf). 

Find the general rules of access to the substances in this following document :  regles_generales_de_fonctionnement_CN_mar2023-en.pdf

Objectives and missions of the Chimiotheque Nationale: 

The Chimiothèque Nationale (CN) was created in 2003 by the CNRS. In 2007, the CN took the legal form of a Scientific Interest Group (GIS), through an agreement signed by 25 research organizations and higher education establishments. Since 2019, the CN has been one of the 4 pillars of ChemBioFrance Research Infrastructure.

The objectives of the CN are:

- the backup and conservation of the synthesis compounds and natural extracts patrimony existing in french academic laboratories;

- scientific valorization of these collections held by each CN laboratory.

The missions of the CN are:

- to federate the French academic research laboratories wishing to promote the constitution and the scientific and industrial valorization of their collections of compounds and natural substances, in a format compatible with high-throughput screening;

- to create a global database of these collections, more complete and diverse than each of the collections considered separately;

- to promote the compound and natural extracts collections towards chemists and biologists, academic and industrial researchers with a screening perspective.

You are a chemistry laboratory and you wish to become a member of ChemBioFrance?

The Chimiothèque Nationale works as a network of laboratories, in which each team remains responsible for its molecules and substances, and can decide of their distribution. In becoming a member of ChemBioFrance, you will be able to:

• · valorize your synthesis or natural products towards pharmaceutical, cosmetic, phytotherapy applications...
• · access information concerning the chemicals and the natural extracts present in the Chimiothèque Nationale.

To become a member, you will have to : 

• · within your laboratory: · organize your set of products · create a local database to index these products.
• · prepare to join ChemBioFrance at the level of your University or your organization

To carry out the first 2 points, ChemBioFrance can give you a technical, financial and administrative assistance. The material needs are limited to only a system of storage of samples (bulk or plate), coupled to a computerized management (CN can provide the software).

To join ChemBioFrance : please contact the manager of the pilar Chimiothèque Nationale : Pr. Pascal Bonnet.

File of Chimiotheque Nationale/CNE structures (for users registered) : 

https://chembiofrance.cn.cnrs.fr/fr/Acces-aux-bases-de-donnees-utilisateurs-enregistres

Chimiotheque Nationale profiling :

descripteurs2020.pdf.

It is possible to select only a subset of the National Chemical Library and to receive it in 96 or 384-well frozen plates. The selection of this subset can be achieved through molecular descriptors accessible online on the CN website or through chemoinformatic tools (analog search, virtual screening, etc ...). The cost contribution depends on the quantity of wells ordered and the packaging selected. From November 4th, 2020, a quote including the cost contribution will be provided following a cherry-picking (For ex., the cost of a microplate of 96 products is about 400€).

To download all structures from CN, please go the page "Access to the database for registered users only". To visualize and analyse data from the Sdfile, you could use DataWarrior (DataWarrior).

To request compounds from Chimiotheque Nationale by cherry-picking, you can follow this help guide : https://chembiofrance.org/faq

Fr-PPIChem is a chemical library of 10,314 molecules dedicated to the inhibition of proteinprotein interactions (Bosc et al., 2020). These compounds are plated in a standardized form compatible with high or medium throughput screening.

The chemical library is the result of a research program involving 5 academic teams, national platforms and an industrial partner. The members of this consortium have developed two databases dedicated to protein-protein interaction modulators (http://2p2idb.inserm.fr and http://www.ippidb.cdithem.fr). The analysis of these databases has made it possible to define a physicochemical and structural profile characteristic of the inhibitors known to date, by comparing them to drugs or enzyme inhibitors (traditional targets) used in the Western pharmacopoeia.

Compounds with properties similar to protein-protein modulators were selected from catalogues of commercially available molecules using different supervised learning approaches. Physicochemical filters were applied to improve the ADME properties of the chemical library.

The cytotoxicity of the compounds was measured at two concentrations on 3 normal and cancer human cell lines by Dr. C. Barette (CEA-Grenoble, Caroline.Barette@cea.fr).

This chemical library can be requested from Dr Xavier Morelli (xavier.morelli@inserm.fr, CRCM, Marseille), coordinator of the national consortium or from Dr Marie-Odile Fauvarque (marie-odile.fauvarque@cea.fr, CMBA, Grenoble). The chemical library is provided in 384-well plates (33 plates in total) at a concentration of 10mM and a volume of 3 µl per well. Laboratories applying for the chemical library will have to indicate the objectives of the project and show their ability to screen on a miniaturized assay.

The consortium can propose qualified partners for the screening of this chemical library and the hit-to-lead developments of the identified hits.

Structures of the compounds in the chemical library are not available for download. However, the structures corresponding to the identified hits (as well as supplier information) will be sent in SDF format in return of the screening results.

Fr-PPIChem : Une chimiothèque dédiée aux Interactions Protéine-Protéine.

Contact : Xavier Morelli (xavier.morelli@inserm.fr)