Smart Compounds

Compounds Australia Structure Portal

Smart Compounds gives you access to the information you need to accelerate your drug discovery research. Interface with real-time information on our Open Access Collections through a powerful and user-friendly structure-based search function.

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Smart Compounds

Smart Compounds is the ultimate destination for real-time structure information on Open Access Collections available from Compounds Australia. With Smart Compounds, researchers gain direct access to chemical properties, compound structures (if approved for release), and powerful structure searching capabilities.

Explore the diverse Open Access collections, including the Academic, Scaffold, and Drug collections, which offer an array of compounds for screening and lead discovery. Whether you are seeking collaborators, performing substructure searches, or identifying structurally similar molecules, Smart Compounds is your gateway to exciting possibilities.

Register with Smart Compounds today for seamless compound exploration and discovery via the "Sign" In function located at top of this page.

Compounds Australia

Compounds Australia at Griffith Institute for Drug Discovery (GRIDD), Griffith University, is Australia’s only national compound management and logistics facility supporting and enabling over 150 biomedical research projects across >44 member organisations, including Australian and international universities, medical research institutes and commercial clients, annually.

The facilities infrastructure includes state-of-the-art liquid handling robotics and industry-standard small molecule compound storage units and has recently undergone a multi-million-dollar infrastructure upgrade. Compounds Australia prides itself on being the first non-commercial compound management facility world-wide to fully integrate modular storage and acoustic liquid handling platforms and make this technology and services accessible for academic researchers since 2007.

Compounds Australia securely stores and curates high quality small molecule compound libraries (over 1.5 million compounds), and prepares and distributes assay-ready microplates for all in bespoke requesting formats, including single point, dose response and combination plating formats.

To find out more about Compounds Australia – visit www.compoundsaustralia.com

Open Libraries

Academic Library

Samples submitted to Compounds Australia offer biologists a unique screening set.

We can perform substructure searches and similarity matching so focussed subsets can also be supplied, if desired, in addition to the complete diverse set.

Post-screening, Compounds Australia facilitates contact with sample owners for independent project follow-up and disclosure of structures. Compounds Australia does not take an ownership stake in resulting or background IP.

Available within our Open Access Academic library are ~9,000 compounds submitted by Australian universities (including ~1,000 compounds from The University of Adelaide’s Fragment collection).

Storage and access:

  • Access is charged on a per plate basis
  • Stored in low temperature and low humidity environments as 5mM solutions in 100% DMSO
  • Available in assay-ready formats only (volumes 2.5–1000nL)
  • Full libraries or single point, multi-point and cherry-picked formats
  • Chemical structures are unavailable. Structure similarity searching available based on chemical fingerprints and information provided including chemical property information such as Log P, MW, HBA, HBD, PSA and chiral centres.
  • Intellectual Property of the compound belongs to the sample depositor (contact with the depositor can be facilitated by Compounds Australia)

Drug Libraries

Our Open Access Drug Libraries comprise the Selleck Kinase, Epigenetics (2016), MicroSource Spectrum FDA (2015) and MedChemExpress (2021) collections. These libraries are searchable via Smart Compounds and provide researchers with biologically active and structurally diverse compounds:

  • for target validation
  • for assay validation
  • to unlock new targets for known compounds
  • to provide preliminary data for grant applications.

Storage and access:

  • Access is charged on a per plate basis
  • Stored in low temperature and low humidity environments as 5mM solutions in 100% DMSO
  • Available in assay-ready formats only (volumes 2.5–1000nL)
  • Full libraries or single point, multi-point and cherry-picked formats
  • Chemical structures and source information available as provided by the chemical vendor.

Our drug libraries are further categorised into the following subcategories to assist in library selection for the researcher’s biological target:

  • Epigenetics
  • Anti-cancer
  • Kinase inhibitors
  • Tyrosine Kinase inhibitors
  • Anti-infection
  • CNS/Neuronal/Anti-Alzheimer
  • Cell cycle
  • Preclinical/Clinical
  • FDA/Approved Drugs

Scaffold Library

Our Open Access Scaffolds Library includes 34,000 commercially available compounds, focused on 1,200 unique scaffolds, with an average of 28 compounds per scaffold available for follow-up screening.

We recommend screening one or two compounds per scaffold, then requesting the scaffold cluster for follow up of active compounds.

Storage and access:

  • Access is charged on a per plate basis
  • Available in assay-ready formats only (volumes 2.5–1000nL)
  • Full libraries or single point, multi-point and cherry-picked formats
  • Stored in low temperature and low humidity environments as 5mM solutions in 100% DMSO

Fragment Library

The Fragment Library offers a curated selection of molecular fragments for fragment-based screening applications. These have been sourced from commercial vendors for accessing by Compounds Australia researchers.

The Fragment library has been curated for researchers interested in fragment-based drug discovery or probing molecular interactions at a finer scale.

Storage and access:

  • Access is charged on a per plate basis (cherrypicking or plate replication)
  • Stored in optimal conditions as 10mM, 50mM or 100mM solutions in 100% DMSO (Concentrations are depending on sub-library)
  • Available in assay-ready formats only (volumes 2.5–1000nL)
  • Full libraries or customized subsets available

Subsets include:

  • Electrophilic Covalent Probes – 10mM
  • Novel Fragment Diversity Set – 100mM
  • ChemBridge Fragment Library (purchased in 2017) – 50mM / 100mM

Project Supporters

Smart Compounds is a joint product of Compounds Australia and Griffith University eResearch Services. Compounds Australia is supported by membership and fee-for-service contributions. The equipment and facility purchases have been made possible with support and contributions from the following funding partners.

Contact Us

If you have any questions or would like to collaborate, please contact us via
https://www.griffith.edu.au/griffith-sciences/compounds-australia/our-staff#contact

You can find out more about Compounds Australia and our services on our main website.

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