Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs beyond the Rule of 5

Journal of Medicinal Chemistry

Volumn 61, Issue 9, 2018, Pages 4189-4202

  Rossi Sebastiano, Matteo ^a   Doak, Bradley C ^b   Backlund, Maria ^a   Poongavanam, Vasanthanathan ^a   Over, Björn ^c   Ermondi, Giuseppe ^d   Caron, Giulia ^d   Matsson, Pär ^a   Kihlberg, Jan ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b MONASH UNIVERSITY   (Australia)

^c ASTRAZENECA R AND D   (Sweden)

^d UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ASUNAPREVIR; ATAZANAVIR; AZITHROMYCIN; CLARITHROMYCIN; CYCLOSPORINE; DACTINOMYCIN; DARUNAVIR; DIRITHROMYCIN; DRUG; ERYTHROMYCIN; FALDAPREVIR; INDINAVIR; LOPINAVIR; PACLITAXEL; RIFABUTIN; RIFAMPICIN; RIFAPENTINE; RIFAXIMIN; RITONAVIR; ROXITHROMYCIN; SAQUINAVIR; TACROLIMUS; TELAPREVIR; TELITHROMYCIN; VINBLASTINE; WATER;

ARTICLE; CACO-2 CELL LINE; CELL MEMBRANE PERMEABILITY; CELL POLARITY; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG PENETRATION; DRUG SOLUBILITY; HYDROGEN BOND; LIPOPHILICITY; MOLECULAR SIZE; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; SURFACE AREA; X RAY CRYSTALLOGRAPHY; CHEMICAL PHENOMENA; CHEMISTRY; CONFORMATION; DRUG DEVELOPMENT; HUMAN; MOLECULAR MODEL; PERMEABILITY; SOLUBILITY; SURFACE PROPERTY;

CACO-2 CELLS; DRUG DISCOVERY; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PERMEABILITY; SOLUBILITY; SURFACE PROPERTIES; WATER;

EID: 85046812598     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.8b00347     Document Type: Article

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