作者: Leslie Z. Benet , Fabio Broccatelli , Tudor I. Oprea
DOI: 10.1208/S12248-011-9290-9
关键词: Solubility 、 Active metabolite 、 Biopharmaceutics 、 In silico 、 Pharmacology 、 Polar surface area 、 Chemistry 、 Transporter 、 Efflux 、 Pharmacokinetics
摘要: Here, we compile the Biopharmaceutics Drug Disposition Classification System (BDDCS) classification for 927 drugs, which include 30 active metabolites. Of 897 parent 78.8% (707) are administered orally. Where lowest measured solubility is found, this value reported 72.7% (513) of these orally drugs and a dose number recorded. The values percent excreted unchanged in urine, LogP, LogD 7.4 when available. For all compounds, silico parameters predicted Log water, calculated polar surface area, hydrogen bond acceptors donors moiety also provided, thereby allowing comparison analyses both experimentally values. We discuss potential use BDDCS to estimate disposition characteristics novel chemicals (new molecular entities) early stages drug discovery development. Transporter effects intestine liver not clinically relevant class 1 but potentially can have high impact 2 (efflux gut, efflux uptake liver) 3 (uptake gut drugs. A combination low likely cause 4 be underpopulated terms approved (N = 53 compared with over 200 each classes 1–3). influence several process category assignment discussed detail.