ChEMBL Resources


Thursday, 25 July 2013

Jobs: Project Manager for Oxford University Chemical Biology Platform

One of our bff's are the guys and gals at the SGC in Oxford, they have recently got a grant to establish a University-wide Chemical Biology Platform, and are now looking for a Project Manager for this effort.

Here are details of the job....

Tuesday, 16 July 2013

Jobs: diXa Project - Scientific Training & Dissemination Officer (Maternity Cover) at EMBL-EBI

The diXa project is looking to recruit a someone to provide part-time maternity cover for the Scientific Training & Dissemination Officer in the Industry Support team which is based at the European Bioinformatics Institute (EMBL-EBI) located in Hinxton, near Cambridge in the UK.

The diXa project is dedicated to developing and implementing a robust and sustainable service infrastructure for data from EU-funded research into non-animal tests for predicting chemical safety ( EMBL-EBI is a partner in the diXa project with a number of responsibilities.

The overall objectives for the position will be to deliver a core set of project-related training and dissemination services to the Toxicogenomics Research Community and to help foster effective use of resources provided through the project working with colleagues at EMBL-EBI and the other partner sites. The successful candidate will also liaise with other groups involved in training and dissemination both at EMBL-EBI and at other training partner sites. Training activities will have a strong industry focus but will also include other stakeholders.

The key responsibilities for the position and the desired qualifications and experience of the applicant can be reviewed on the diXa project website.

Please apply online through

The application deadline is 29th July 2013.

Sunday, 14 July 2013

New Drug Approvals 2013 - Pt. XI - Afatinib (GilotrifTM)

ATC code: L01XE13


On July 12th 2013 the FDA approved GilotrifTM (USAN afatinib) for the first-line treatment of patients with metastatic non-small cell lung cancer (NSCLC) carrying EGFR exon 19 deletions or exon 21 (L858R) mutation. It is a covalent, irreversible inhibitor of EGFR, ERBB2 and ERBB3.

Non small cell lung cancer (NCLS) (CRUK NCLS; PDQ NCLS) accounts for 78% of lung cancer incidences in the UK and is typically resistant to chemotherapy. In clinical studies, afatinib increased the mean Progression Free Survival to 11.1 months from 6.9 months (compared to standard of care Pemetrexed/Cisplatin). Furthermore, response to treatment was observed in tumors harboring several EGFR mutant species although the duration of response varied from 6.9 months to 16.5 months depending on the mutation .

Afatinib covalently binds to the kinase domains of EGFR (ErbB1, Uniprot: P00533; canSAR: EGFR”), HER2 (ErbB2, Uniprot:P04626; canSAR: ERBB2), and HER4 (ErbB4, Uniprot:Q15303; canSAR: ERBB4)) and irreversibly inhibits tyrosine kinase autophosphorylation, resulting in downregulation of ErbB signaling. The structure of afatinib bound to EGFR is shown (PDB=4G5J).

GilotrifTM tablets contain the dimaleate salt of afatinib. Afatinib (research code: BIBW-2992; ChEMBL id: CHEMBL1173655; SMILES:CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4;) has a molecular weight of 485.9 and an AlogP of 3.92. The elimination half-life of afatinib is 37 hours after repeat dosing.

GilotrifTM is produced by Boehringer-Ingelheim

Prescribing information is here.

Tuesday, 2 July 2013

USAN Watch: July 2013

The USANs for July 2013 have recently been published.

USAN Research Code InChIKey (Parent)Drug ClassTherapeutic classTarget
formofilcon B

n/acontact lens polymerpolymer n/a
futuximab992DS, Sym004n/atherapeuticmonoclonal antibodyEGFR
muparfostat, muparfostat sodiumPI-88n/atherapeuticoligosaccharideVEGF, FGF-1, FGF-2
omafilcon B

n/acontact lens polymerpolymern/a
stenfilcon A
n/acontact lens polymerpolymern/a