e-LEA3D: ChemInformatic Tools and Databases


Last Registration:

August 7, 2015



SACUBITRIL

Approved in July 2015
Treatment of patients with chronic heart failure. Combination with Valsartan


e-Drug3D offers a facility to explore FDA approved drugs and active metabolites.

1790 molecular structures with a molecular weight < 2000 have been registered (last update: August 2015)

To download one of the 3D drug SD Files (single conformer), please complete the registration form.





Drug names (INN) are listed below:

They have been gathered in function of the year of the first approval in decreasing order.

The name of the company that launched it is given in parentheses.

Dxxxx is the identifier of the drug in our database.

'M' in front of a name means that the compound is (an active) METABOLITE (at bottom of the list).

The year 0 lists drugs without any defined year (mainly withdrawn or discontinued drugs but with valid NDA agreement number)



 

 

 

 

 





Browse Drug names (INN) in alphabetical order:





Description of the database:


  • e-Drug3D mirrors the current content of the U.S. pharmacopeia of small drugs (molecular weight < 2000) .

  • e-Drug3D uses the 'Drugs@FDA Data File' (http://www.fda.gov/Drugs/InformationOnDrugs/ucm079750.htm) released by FDA to construct and update the database twice a year.

  • The structure of each drug has been manually checked to assign the exact stereochemistry to chiral centers (enantiomers are different molecules).

  • Active metabolites have been registered (prefix "M ").

  • FDA registration data are provided with a link to the FDA website.

  • Phamacology and pharmacokinetics data are provided with a link to the Anatomical Therapeutic Chemical (ATC) classification system (World Health Organization).

  • Physicochemical properties have been calculated.

  • Chemistry information and links to patents, synthesis references and commercial suppliers are indicated.

  • Shape similarities between drugs have been calculated and a superimposition display is available.

  • Commercially available portions of drugs are proposed. They may be considered as fragments that can be tested in fragment-based screenings.




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