Matches in SemOpenAlex for { <https://semopenalex.org/work/W2059636680> ?p ?o ?g. }
- W2059636680 endingPage "528" @default.
- W2059636680 startingPage "528" @default.
- W2059636680 abstract "An on-going trend in the medicinal chemistry literature is to link physical properties of a molecule that are achiral (such as lipophilicity) to biological or pharmaceutical properties (such as pharmacokinetics and toxicity) which depend upon interactions with chiral entities. In contrast, we have explored the variation in key pharmaceutical properties between enantiomeric pairs where only the three-dimensional arrangement of atoms changes. The analysis reveals that many properties are sensitive to changes in stereochemistry and quantifies this dependence. Any variation between enantiomers cannot be explained by achiral descriptors. The analysis highlights those properties where chiral lability or measurements on racemates might be misleading and permits deductions to be made from paired experiments in which two enantiomers are studied. The analysis suggests an inherent advantage to lead optimization in a chiral series where improvement into an attractive part of chemical space might be complemented by a selection between two enantiomers with different pharmacokinetic or safety profiles. Hence, in the early stages of a drug discovery program extra preference should be given to chiral series. Surprising observations are that permeability and efflux in cell based assays are not chirally dependent whereas in vivo volume of distribution does change between enantiomers." @default.
- W2059636680 created "2016-06-24" @default.
- W2059636680 creator A5036146442 @default.
- W2059636680 creator A5040036307 @default.
- W2059636680 creator A5048986535 @default.
- W2059636680 creator A5065961187 @default.
- W2059636680 creator A5068360316 @default.
- W2059636680 creator A5076922792 @default.
- W2059636680 creator A5079907259 @default.
- W2059636680 creator A5085984233 @default.
- W2059636680 date "2012-01-01" @default.
- W2059636680 modified "2023-10-14" @default.
- W2059636680 title "Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain" @default.
- W2059636680 cites W1593652087 @default.
- W2059636680 cites W1604884792 @default.
- W2059636680 cites W1895993106 @default.
- W2059636680 cites W1969143567 @default.
- W2059636680 cites W1973879072 @default.
- W2059636680 cites W1981737096 @default.
- W2059636680 cites W1983042013 @default.
- W2059636680 cites W1991443437 @default.
- W2059636680 cites W1995495408 @default.
- W2059636680 cites W1996838838 @default.
- W2059636680 cites W2000613614 @default.
- W2059636680 cites W2003263277 @default.
- W2059636680 cites W2016624695 @default.
- W2059636680 cites W2018285323 @default.
- W2059636680 cites W2025847642 @default.
- W2059636680 cites W2028105139 @default.
- W2059636680 cites W2028130925 @default.
- W2059636680 cites W2029034487 @default.
- W2059636680 cites W2036187452 @default.
- W2059636680 cites W2036846365 @default.
- W2059636680 cites W2038094422 @default.
- W2059636680 cites W2039478311 @default.
- W2059636680 cites W2040826404 @default.
- W2059636680 cites W2042721486 @default.
- W2059636680 cites W2045193322 @default.
- W2059636680 cites W2048422990 @default.
- W2059636680 cites W2049684731 @default.
- W2059636680 cites W2052107505 @default.
- W2059636680 cites W2057327484 @default.
- W2059636680 cites W2062458432 @default.
- W2059636680 cites W2070685035 @default.
- W2059636680 cites W2072813311 @default.
- W2059636680 cites W2074274985 @default.
- W2059636680 cites W2075002792 @default.
- W2059636680 cites W2077621515 @default.
- W2059636680 cites W2080919381 @default.
- W2059636680 cites W2083809358 @default.
- W2059636680 cites W2084556361 @default.
- W2059636680 cites W2085507946 @default.
- W2059636680 cites W2087826156 @default.
- W2059636680 cites W2087952495 @default.
- W2059636680 cites W2097559461 @default.
- W2059636680 cites W2107763854 @default.
- W2059636680 cites W2112577860 @default.
- W2059636680 cites W2113159581 @default.
- W2059636680 cites W2114072489 @default.
- W2059636680 cites W2128807065 @default.
- W2059636680 cites W2129787793 @default.
- W2059636680 cites W2130983257 @default.
- W2059636680 cites W2148103576 @default.
- W2059636680 cites W2157393167 @default.
- W2059636680 cites W2160384674 @default.
- W2059636680 cites W2164050728 @default.
- W2059636680 cites W2950722634 @default.
- W2059636680 cites W4238919648 @default.
- W2059636680 cites W4248107770 @default.
- W2059636680 doi "https://doi.org/10.1039/c2md20010d" @default.
- W2059636680 hasPublicationYear "2012" @default.
- W2059636680 type Work @default.
- W2059636680 sameAs 2059636680 @default.
- W2059636680 citedByCount "22" @default.
- W2059636680 countsByYear W20596366802012 @default.
- W2059636680 countsByYear W20596366802013 @default.
- W2059636680 countsByYear W20596366802014 @default.
- W2059636680 countsByYear W20596366802015 @default.
- W2059636680 countsByYear W20596366802017 @default.
- W2059636680 countsByYear W20596366802018 @default.
- W2059636680 countsByYear W20596366802019 @default.
- W2059636680 countsByYear W20596366802020 @default.
- W2059636680 countsByYear W20596366802022 @default.
- W2059636680 crossrefType "journal-article" @default.
- W2059636680 hasAuthorship W2059636680A5036146442 @default.
- W2059636680 hasAuthorship W2059636680A5040036307 @default.
- W2059636680 hasAuthorship W2059636680A5048986535 @default.
- W2059636680 hasAuthorship W2059636680A5065961187 @default.
- W2059636680 hasAuthorship W2059636680A5068360316 @default.
- W2059636680 hasAuthorship W2059636680A5076922792 @default.
- W2059636680 hasAuthorship W2059636680A5079907259 @default.
- W2059636680 hasAuthorship W2059636680A5085984233 @default.
- W2059636680 hasConcept C147597530 @default.
- W2059636680 hasConcept C149997192 @default.
- W2059636680 hasConcept C178790620 @default.
- W2059636680 hasConcept C185592680 @default.
- W2059636680 hasConcept C19149912 @default.
- W2059636680 hasConcept C201399114 @default.