title: BDDCS applied to over 900 drugs.
abstract: Here, we compile the Biopharmaceutics Drug Disposition Classification System (BDDCS) classification for 927 drugs, which include 30 active metabolites. Of the 897 parent drugs, 78.8% (707) are administered orally. Where the lowest measured solubility is found, this value is reported for 72.7% (513) of these orally administered drugs and a dose number is recorded. The measured values are reported for percent excreted unchanged in urine, LogP, and LogD (7.4) when available. For all 927 compounds, the in silico parameters for predicted Log solubility in water, calculated LogP, polar surface area, and the number of hydrogen bond acceptors and hydrogen bond donors for the active moiety are also provided, thereby allowing comparison analyses for both in silico and experimentally measured values. We discuss the potential use of BDDCS to estimate the disposition characteristics of novel chemicals (new molecular entities) in the early stages of drug discovery and development. Transporter effects in the intestine and the liver are not clinically relevant for BDDCS class 1 drugs, but potentially can have a high impact for class 2 (efflux in the gut, and efflux and uptake in the liver) and class 3 (uptake and efflux in both gut and liver) drugs. A combination of high dose and low solubility is likely to cause BDDCS class 4 to be underpopulated in terms of approved drugs (N = 53 compared with over 200 each in classes 1-3). The influence of several measured and in silico parameters in the process of BDDCS category assignment is discussed in detail.
authors.affiliation: Department of Bioengineering & Therapeutic Sciences, Schools of Pharmacy and Medicine, University of California San Francisco, 94143-0912, USA. leslie.benet@ucsf.edu
authors.forename: Leslie Z
authors.initials: LZ
authors.lastname: Benet
authors.forename: Fabio
authors.initials: F
authors.lastname: Broccatelli
authors.forename: Tudor I
authors.initials: TI
authors.lastname: Oprea
mesh_terms: D001702:Biopharmaceutics; D006860:Hydrogen Bonding; D004364:Pharmaceutical Preparations / Q000145:classification*; D010599:Pharmacokinetics
chemical_list: D004364:Pharmaceutical Preparations