Introducing Eight New Chemical Libraries in CDD Vault

BURLINGAME, Calif. and Niagara-on-the-Lake, Canada — June 24, 2014 — Collaborative Drug Discovery (CDD) and Life Chemicals are proud to announce the availability of eight new chemical libraries in the CDD Vault software platform. These collections have over 370,000 original compounds selected for diversity and lead-like or drug-like properties.

“We decided to highlight some of the best Life Chemicals Libraries in CDD Vault,” mentioned Aleksandr Kucherak, VP, Marketing and Sales. “Although this is just a subset of all the targeted libraries available from Life Chemicals, we thought this set would have immediate value to the growing Community of CDD Vault customers.”

1. General Screening Collection
• 372,762 Compounds
• Carefully designed, novel, drug-like small molecules
• Lipinski rule of 5 and medicinal chemistry filters
2. Fragments with Guaranteed Solubility
• 8,891 Fragments
• Fragments have been tested for solubility in analytical lab
• Solubility is guaranteed in pH 7.5 buffer and high (200 mM) DMSO concentration
3. Natural Product-like Library
• 7,815 Compounds
• Natural-Product-likeness score was calculated using open-source workflow tool CDK-Taverna 2.0 containing NP-Likeness scorer v1.4.1
4. Kinase 1
• 15,751 Compounds
• Virtual docking
5. Kinase 2
• 62,624 Compounds
• Similarity search using MDL public keys and the Tanimoto similarity cut-off of 90%
• Almost 25K reference compounds that tested active in 168 biological assays (more than 100 different kinase targets), were used for similarity search
6. GPCR
• 15,975 Compounds
• Similarity/pharmacophore search
7. Nuclear Receptors
• 9,914 Compounds
• Virtual docking and similarity/pharmacophore search
8. CNS
• 25,914 Compounds
• CNS filters

“As we evolve offerings in the increasingly collaborative, global drug discovery marketplace,” commented CDD CEO Barry Bunin, “carefully designed, target-specific libraries such as those available from Life Chemicals are made more accessible with innovative, collaborative software like CDD Vault. Scientific drug discovery is accelerated when great minds and technologies come together.”

A more detailed description of the libraries included in CDD Vault can be found here, and the molecules themselves are available within CDD’s public vault.

About CDD

CDD's (www.collaborativedrug.com) flagship product, CDD Vault®, is used to manage chemical registration, structure activity relationships (SAR), and securely scale collaborations. CDD Vault is a hosted database solution for secure management and sharing of biological and chemical data. It lets you intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface.

About Life Chemicals

Life Chemicals Inc. (www.lifechemicals.com), Niagara-on-the-Lake, Canada, specializes in state-of-the-art organic synthesis for high-throughput screening. Established in 2004, the Company was launched as a private small business to rapidly become one of internationally recognized producers and suppliers of original HTS compounds and related services. Life Chemicals products include the following:

1. Over 800,000 drug-like and lead-like screening compounds for HTS
2. Carefully designed 50 targeted libraries (including Kinase, Protease, PPI, Ion Channel, GPCR, Epigenetics and many other)
3. Custom libraries (including targeted custom libraries) and custom synthesis projects
4. Over 9,000 Core building blocks

The production site of the company is situated in Kyiv, Ukraine. As an advanced synthetic laboratory, Life Chemicals employs high skills and research abilities of more than 100 qualified professionals including 15 PhDs.

Life Chemicals Inc. operates worldwide and in addition to its headquarters in Niagara-on-the-Lake, Canada, it has a sales office in Orange, CT and a representative office in Kyiv, Ukraine. Recently we have opened a new company in Munich, Germany - Life Chemicals Europe GmbH.

Life Chemicals Inc. sells its products and services to more than 1000 customers, with its sales volume steadily growing. Keeping pace with market demands, Life Chemicals does offer mutually beneficial terms and very competitive prices, thus making the ratio of product quality and its cost most attractive for our customers.

Media Contacts: Barry Bunin, PhD, CDD, (650) 204-3084, info@collaborativedrug.com