CCL: Where to find FDA drug database
- From: "Mazen Ahmad"
- Subject: CCL: Where to find FDA drug database
- Date: Sun, 22 Jul 2007 00:45:58 +0200
Sent to CCL by: "Mazen Ahmad" [mazen2010*|*googlemail.com]
Maybe youmean this data.
On 7/13/07, Rick Venable venabler|nhlbi.nih.gov
There are ca. 21,000 formulations in the "orange book"; a given drug
substance will have many formulations (different dosages, tablet vs. caplet,
single-use vs. multi-use vials, etc.). One of the earlier posts (included
below) indicated that these 21,000 formulations represent ca. 1300-1400 drug
substances, comparable in number and scope to those listed in DrugBank.
Rick Venable 29/500
Membrane Biophysics Section
NIH/NHLBI Lab. of Computational Biology
Bethesda, MD 20892-8014 U.S.A.
(301) 496-1905 venabler AT nhlbi*nih*gov
On 7/13/07 11:33 AM, "HarryBGottlieb#comcast.net"
A recent overview of DrugBank by John Proudfoot appeared in CHEMISTRY
International, May-June 2007, page 24. He wrote that, "This free resource
pulls together a surprisingly comprehensive amount of information on drugs
and drug targets and contains data on over 1 000 marketed and over 3 000
additional experimental drug substances." That is about the size of the
Comprehensive Medicinal Chemistry 3D (CMC3D) database that I was familiar
with from MDL in the early-mid 1990's.
I'd also guess that "pieces of information" exceeds the count of
the other source.
-------------- Original message --------------
> From: "Yuan Zhao ccl|-|mail.sioc.ac.cn"
> Sent to CCL by: "Yuan Zhao" [ccl ~~ mail.sioc.ac.cn]
> I've downloaded the database in DrugBank. It contains 1066 molecules in
> sdf file, of which 11 are blank molecules and 10 contain '*' in atomic
> name. However, I searched in google and found a software named as
> EMR Express SERVER" which seemed to be able to download and install
> drug database. It imported about 21000 pieces of infomation but I could
> find them. Does it mean that there are over 21000 drugs in FDA database?
> it is the truth, the molecules in DrugBank seem too few to summarize the
> property of FDA database.
> CCL: Where to find FDA drug database
> Sent to CCL by: [DSprous*redpointbio.com]
> In reply to "Yuan Zhao" [ccl=-=mail.sioc.ac.cn] query summarized
> "I wonder how many drugs FDA have approved till now or this
> To my knowledge:
> The FDA Orange Book (http://www.fda.gov/cder/ob/) is closest publicly
> available answer to this question. It is a list of approved drug
> formulations and does not have structures. Further, since it is a list
> of approved formulations, children's motrin is distinct from adult
> strength which is different from extra strength. The FDA apparently
> simply does not seem to be interested in an actual molecular database of
> approved active ingredients. You would need to download a copy of the
> list, develop a script to generate a unique list of active ingredients !
> ; and then use something like LexiChem to convert the chemical and trade
> names to SMILES. This gives one about 1300 to 1400 compounds.
> An alternative which is easier to work with is the DrugBank
> (http://redpoll.pharmacy.ualberta.ca/drugbank/) datasets
> Wishart [University of Alberta]. This too is a list of ~1300 to 1400
> If anyone knows better public sources, please post.
> Dennis G. Sprous, PhD
> Chemoinformatics/Computational Chemistry
> RedPointBio Inc.
> 7 Graphics Drive Ewing NJ 08628
> -----Original Message-----
> > From: owner-chemistry],[ccl.net
> Sent: Wednesday, July 11, 2007 10:40 AM
> To: Dennis Sprous
> Subject: CCL: Where to find FDA drug database
> Sent to CCL by: "Yuan Zhao" [ccl=-=mail.sioc.ac.cn]
> Hi a! ll,
> I wonder how many drugs FDA have approved till now or this year.
> If possible, where can I download the FDA drug database in sd, mol
> or other chemical formats? Does anyone know how many drugs in FDA
> are fit for Lipinski rule of five? Any clue will be appreciate.