Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds

Bioorganic and Medicinal Chemistry Letters

Volumn 19, Issue 24, 2009, Pages 6943-6947

  Tyrchan, Christian ^a   Blomberg, Niklas ^a   Engkvist, Ola ^a   Kogej, Thierry ^a   Muresan, Sorel ^a  

^a ASTRAZENECA R AND D   (Sweden)

Author keywords

Bioactive compounds; Clinical candidates; Marketed drugs; Physicochemical properties; SAR databases

Indexed keywords

ALISKIREN; DRONABINOL; LEVONANTRADOL; NABILONE; PRAVADOLINE; RIMONABANT; SITAGLIPTIN; VILDAGLIPTIN;

ARTICLE; BIOLOGICAL ACTIVITY; DATA BASE; DRUG MARKETING; DRUG TARGETING; PHYSICAL CHEMISTRY; STRUCTURE ACTIVITY RELATION;

BIOLOGICAL PRODUCTS; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; MARKETING;

EID: 72149091750     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2009.10.068     Document Type: Article

References (16)

1. Lipinski C.A. Drug Discovery Today: Technol. 1 (2004) 337
2. Wenlock M.C., Austin R.P., Barton P., Davis A.M., and Leeson P.D. J. Med. Chem. 46 (2003) 1250
3. Vieth M., Siegel M.G., Higgs R.E., Watson I.A., Robertson D.H., Savin K.A., Durst G.L., and Hipskind P.A. J. Med. Chem. 47 (2004) 224
4. Proudfoot J.R. Bioorg. Med. Chem. Lett. 15 (2005) 1087
5. Vieth M., and Sutherland J.J. J. Med. Chem. 49 (2006) 3451
6. Gleeson M.P. J. Med. Chem. 51 (2008) 817
7. Southan C., Varkonyi P., and Muresan S. Curr. Top. Med. Chem. 7 (2007) 1502
8. Descriptions of the various databases used in this study are available from www.gvkbio.com/informatics.html (accessed Feb 23, 2009).
9. Varkonyi, P.; Hoppe, C.; Muresan, S. ChemAxon European User Group Meeting May 7-8, 2008, Visegrad, Hungary www.chemaxon.com/forum/download4183.pdf (accessed Feb 23, 2009).
10. BioByte www.biobyte.com CLog P Version 4.3 (accessed Feb 23, 2009).
11. Labute P. J. Mol. Graph. Model. 18 (2000) 464
12. Downs G.M. Ring Perception in Encyclopedia of Computational Chemistry (1998), Wiley, Chichester 2509
13. Accelrys Software Inc. www.accelrys.com/products/scitegic (accessed Feb 23, 2009).
14. JMP SAS Institute. www.jmp.com (accessed Feb 23, 2009).
15. Leeson P.D., and Springthorpe B. Nat. Rev. Drug Disc. 6 (2007) 881
16. Hughes J.D., Blagg J., Price D.A., Bailey S., DeCrescenzo G.A., Devraj R.V., Ellsworth E., Fobian Y.M., Gibbs M.E., Gilles R.W., Greene N., Huang E., Krieger-Burke T., Loesel J., Wager T., Whiteley L., and Zhang Y. Bioorg. Med. Chem. Lett. 18 (2008) 4872