The influence of drug-like concepts on decision-making in medicinal chemistry
Citations
4,664 citations
2,915 citations
Cites background from "The influence of drug-like concepts..."
...Analysis of the Bioprint database of the complete screening matrix of FDA-approved drugs against approximately 200 assays reveals a strong relationship between calculated lipophilicity ( c log P ) and low-affinity off-target promiscuit...
[...]
1,712 citations
[...]
1,441 citations
1,302 citations
Cites background from "The influence of drug-like concepts..."
...of the more common have now been made available in the database: Ligand Efficiency (LE) (28), Binding Efficiency Index (BEI), Surface Efficiency Index (SEI) (29) and Lipophilic Ligand Efficiency (LLE) (30)....
[...]
...There are a number of different measures now described in the literature and four of the more common have now been made available in the database: Ligand Efficiency (LE) (28), Binding Efficiency Index (BEI), Surface Efficiency Index (SEI) (29) and Lipophilic Ligand Efficiency (LLE) (30)....
[...]
References
14,026 citations
5,191 citations
"The influence of drug-like concepts..." refers background in this paper
...Overall oral bioavailability depends not just on absorption but also on dissolution, gut transit time and first-pass metabolism, so it is perhaps surprising that rat bioavailability can be categorized by simple physical properties such as PSA and rotatable bond...
[...]
3,746 citations
[...]
3,577 citations
3,499 citations
"The influence of drug-like concepts..." refers background in this paper
...jpg" NDATA ITEM> ]> Ten years have passed since the publication of the 'rule of five' physical property guidelines for drug permeabilit...
[...]