The ChEMBL-og

The USANs for October 2013 have recently been published. We have modified the sourcing of this data - using the new ChEMBL API to automatically parse the documents, extract and validate the mol files for the compounds. So in future, these reports should be more timely, complete and fun! USAN Research Code InChIKey (Parent) Drug Class Therapeutic class Target alectinib AF-802; CH-5424802 KDGFLJKFZUIJMX-UHFFFAOYSA-N synthetic small molecule therapeutic ALK apitolisib GDC-0980.1, G-038390, G-038390.1, RG-7422 YOVVNQKCSKSHKT-HNNXBMFYSA-N synthetic small molecule therapeutic MTOR,PI3K cimaglermin-alfa GGF2, rhGGF2 n/a protein ...

Elvitegravir: Cobicistat: ATC Code :   J05AR09 Wikipedia :  Elvitegravir/Cobicistat /Emtricitabine/Tenofovir On August 27, FDA approved the complete regimen for treatment of Human Immunodeficiency Virus -1 ( HIV-1 ) infection in adults who are antiretroviral treatment-naïve. STRIBILD®, combination of a  HIV-1 integrase  strand transfer inhibitor ( INSTI ) -  Elvitegravir , a pharmacokinetic enhancer -  Cobicistat  and two nucleos(t)ide analog HIV-1  Reverse Transcriptase  (RT) inhibitors ( NRTI's ) -  Emtricitabine/Tenofovir disoproxil . Acquired immunodeficiency syndrome ( AIDS ) is a disease of the human  immune system  caused by  HIV  infection, in which progressive failure of the immune system allows life-threatening  opportunistic infections  and  cancers  to thrive. HIV infects and kills vital cells involved in immune system such as  T hel...

ATC Code: Wikipedia:   Raxibacumab On December 14th 2012 the FDA approved  Raxibacumab for the treatment of inhalation anthrax, a form of anthrax caused by the inhalation of anthrax spores. The drug is also approved to treat inhalation anthrax when alternative therapies are not available or appropriate. Raxibacumab is a 146 kDa monoclonal antibody that is designed to neutralize the toxin secreted by Bacillus Anthracis . The FDA granted raxibacumab fast track designation, priority review, and orphan product designation. Bacillus Anthracis toxin (Anthrax toxin) is a secreted three protein exotoxin. It consists of two enzyme components;  lethal factor (LF, PDB 1PWU ), a bacterial endopeptidase and edema factor (EF, PDB 1PWW ), a bacterial adenylate cyclase. These are combined with one cell-binding protein; protective antigen (PA, PDB 1ACC ). The individual components are non toxic and the combination of the enzyme components with the cell-...

ATC Code: J04AK05 Wikipedia: Bedaquiline On December 28, the FDA approved Bedaquiline (as the fumarate salt; tradename: Sirturo ; Research Code: R-403323 (for Bedaquiline Fumarate), R-207910 and TMC-207 (for Bedaquiline)), a novel, first-in-class diarylquinoline antimycobacterial drug indicated for the treatment of pulmonary multi-drug resistant tu berculosis (MDR-TB) as part of combination therapy in adults. Turbeculosis is an infectious disease caused by the mycobacteria Mycobacterium tuberculosis , which usually affects the lungs. MDR-TB occurs when M. tu berculosis becomes resistant to the two most powerful first-line treatment anti-TB drugs, Isoniazid (ChEMBL: CHEMBL64 ) and Rifampin (ChEMBL: CHEMBL374478 ). Bedaquiline is the first anti-TB drug that works by inhibiting mycobacterial adenosine 5'-triphosphate (ATP) synthase (for Uniprot_IDs, clique here ), an enzyme essential for the replication of the mycobacteria. ATP is the most commonly used energy currency o...

ATC code : B01AF02 Wikipedia : Apixaban On December 28, FDA approved Apixaban ( Trade Name: ELIQUIS®; ChEMBL :  CHEMBL231779 ;  KEGG :  D03213 ; ChemSpider :  8358471 ; DrugBank :  DB07828 ; PubChem :  CID 10182969 ) as an anticoagulant  for prevention of  venous thromboembolism  and related events, indicated to reduce the risk of stroke and systemic embolism  in patients with non-valvular atrial fibrillation.  Atrial fibrillation ( AF ) is most common cardiac arrhythmia (irregular heart beat). There are many classes of AF according to American College of Cardiology ( ACC ), American Heart Association ( AHA ) and the European Society of Cardiology ( ESC ) one of which is non-valvular AF - absence of rheumatic mitral valve disease, a prosthetic heart valve , or mitral valve repair  (AF which not caused by a heart valve problem). Usually AF increases the degree of stroke risk, can be up to seven...

ATC Code: C10AX12 Wikipedia: Lomitapide On December 21 st , the FDA approved Lomitapide (Tradename: Juxtapid ; Research Codes: BMS-201038-04, BMS-201038, AEGR-733), a Microsomal triglyceride transfer protein (MTP) inhibitor, as a complement to a low-fat diet and other lipid-lowering treatments, in patients with homozygous familial hypercholesterolemia (HoFH). Familial hypercholesterolemia is a genetic disorder, characterised by high levels of cholesterol rich low-density lipoproteins (LDL-C) in the blood. This genetic condition is generally attributed to a faulty mutation in the LDL receptor (LDLR) gene, which mediates the endocytosis of LDL-C. Lomitapide, trough the inhibition of the microsomal triglyceride transfer protein in the liver, prevents the assembly of Apoliprotein B-containing lipoproteins , which is required for the formation of LDLs, thus contributing to lower the circulating LDL-C levels. The Microsomal triglyceride transfer protein, which res...

ATC code:  A16AX08 Wikipedia: Teduglutide On December 27, FDA approved Teduglutide (Tradename: Gattex®, Tradename: Revestive, Research Code: ALX-600, CAS# 197922-42-2), an analog of Glucagon-like peptide 2 ( GLP2 ) expressed in  Escherichia coli by recombinant DNA ( rDNA ) technology indicated for the treatment of adult patients with Short Bowel Syndrome ( SBS ). Short Bowel Syndrome (MeSH:  D012778 ) is a condition in which nutrients are not properly absorbed ( malabsorption disorder) caused by surgical removal of small intestine, or rarely due to the complete dysfunction of large segment of bowel. More information about SBS can be found in Medscape . Teduglutide is an analog of naturally occurring Glucagon-like peptide 2 (GLP2), which is 33 amino acid peptide created by specific post-translational proteolytic cleavage of proglucagon in endocrine L cells of the distal intestine. GLP2 is known to increase intestinal an...

ATC code: H01CB05 Wikipedia: Pasreotide On December 14, the FDA approved Pasireotide diaspartate (SIGNIFOR®, Research CodeL SOM-230, CAS#  396091-73-9 , Pub-Chem :  CID 9941444 , KEGG :  D10147 ), a cyclohexide with pharmacologic properties mimicking those of natural hormone Somatostatin for treatment of adult patients with Cushing's disease  (CD) for whom pituitary surgery is not an option or has not been curative. Cushing's disease (CD) is a cause of Cushing's syndrome characterised by increased secretion of ACTH (adrenocorticotropic hormone) from the anterior pituitary. CD is a rare hormone disorder, and  recent statistics indicate that the annual incidence is somewhere between 1 and 10 per million and is 3 times more common in women than in men (from NEMDIS ). This is most often as a result of pituitary adenoma  or due to excess production of hypothalamus Corticotropin releasing hormone ( CRH ). More information can be found i...

ATC code: not yet assigned Wikipedia: Crofelemer On December 31 2012, the FDA approved Crofelemer for the treatment of diarrhea caused by antiretroviral medication regimens taken by patients with HIV/AIDS . Diarrhea is a frequent adverse effect of antiretroviral medication - however, it can also be caused by secondary infections of the gastrointestinal tract or the virus itself. The loss of fluids incurred by diarrhea can lead to dehydration and electrolyte imbalance. As a side-effect of antiretroviral medication it also reduces patient compliance with a prescribed medication regimen. Crofelemer alleviates the symptoms of HIV-associated diarrhea by limiting the amount of chloride ions that are pumped into the intestinal lumen, thus also retaining sodium ions and water. Crofelemer is a natural product oligomer that is not orally bioavailable but acts locally on the intestinal surface. It was shown to inhibit two distinct intestinal chloride channels expressed in...

ATC code: not yet assigned Wikipedia: Cabozantinib On November 29th, the FDA approved  Cometriq TM (cabozantinib, research code XL-184) for the treatment of patients with progressive, metastatic, medullary thyroid cancer (MTC). MTC is a rare type of thyroid cancer accounting for 5-10% of all diagnosed thyroid cancers ( CRUK ). A quarter of MTC cases are familial and are caused by a mutation in the RET gene. Clinical studies showed that cabozantinib increases progression-free survival time to 11.2 months in comparison with 4 months for placebo. Cabozantinib (research codes: XL-184, BMS-907351; IUPAC:  Cabozantinib ( S )-malate is described chemically as N -(4-(6,7-dimethoxyquinolin-4-yloxy)phenyl)- N’ -(4-fluorophenyl)cyclopropane- 1,1-dicarboxamide, Standard InChI:  ONIQOQHATWINJY-UHFFFAOYSA-N) is dosed as the (S)-malate salt. The parent molecule, cabozantinib, has a molecular weight of 501.5 and a ACD/LogP of 3.08. The effective half-life is ~55 ho...

On September 12, FDA approved Choline C-11, an intravenous  radioactive diagnostic agent to be used as tracer during Positron Emission Tomography ( PET ) scan to help detect sites of recurrent Prostate Cancer  (OMIM :  176807  ; MeSH :  D011471 ) . Prostate cancer is the most common cause of death from cancer in men over age 75, and is rarely found in men younger that 40. Unlike many other cancers, prostate cancer usually progresses very slowly. Sometimes the cancer cells may metastasize from the prostate to other parts of body. Overall, it is estimated to be the sixth leading cause of cancer-related death in men. Choline is a naturally occurring component of the numerous Vitamin-B complex, and is necessary for normal cell structure and signalling. Choline C-11 is a radiolabeled synthetic analog of choline that releases a positron by beta decay which can be visualised by PET. Choline is rapidly taken up by the prostate cells an...

On November 6, the  FDA approved   T ofacitinib  citrate (Trade Name:  XELJANZ® ; Research code: CP-690550, ChEMBL :  CHEMBL221959 , PubChem:  CID9926791 , DrugBank:  DB08183 , ChemSpider:  8102425 )  to treat moderately to severely active  Rheumatoid Arthritis  (RA). It is orally administered and may be used as monotherapy agent or in combination of non-biologic  DMARDs . About 1% of the world-wide population is affected by  rheumatoid arthritis .  RA affects predominantly women ( three times more susceptible than men ) and is more frequent between ages 40 and 50, but people of any age can be affected . Other approved drugs in this commercially competitive sector include  Adalimumab (Trade Name:   Humira , ChEMBL: CHEMBL1201580 , DrugBank: DB00051 ) , Etanercept (Trade Name:  Enbrel ,  ChEMBL: CHEMBL1201572 , DrugBank: DB00005 ) , Infliximab (Trade Name:  Remic...

On October 17, the FDA approved Ocriplasmin (tradename: Jetrea ; Research Code: Microplasmin), a proteolytic enzyme indicated for the treatment of symptomatic vitreomacular adhesion (VMA) . VMA is a condition of the eye that results from the liquefaction of the vitreous gel within the human eye and consequent adhesion to the retina . As the eye ages, the vitreous humor can naturally separate from the retina. However, if the separation is not complete, areas of adhesion can occur. The traction from these adhesion areas on the retinal surface is the underlying pathology of symptomatic VMA, which can lead to ocular damage. Ocriplasmin is the first drug approved to treat this condition and it exherts its therapeutic action by selectively breaking down the three major protein components, fibronectin , laminin and collagen , of the vitreous body and vitreoretinal interface, and thereby dissolving the protein matrix responsible for VMA. The only alternative treatment is a surgica...