ElogDoct:  A Tool for Lipophilicity Determination in Drug Discovery. 2. Basic and Neutral Compounds

Franco Lombardo; Marina Y. Shalaeva; Karl A. Tupper; Feng Gao

doi:10.1021/jm0100990

journal article Jun 26, 2001

ElogDoct: A Tool for Lipophilicity Determination in Drug Discovery. 2. Basic and Neutral Compounds

Franco Lombardo Marina Y. Shalaeva Karl A. Tupper Feng Gao

Journal of Medicinal Chemistry Vol. 44 No. 15 pp. 2490-2497 · American Chemical Society (ACS)

View at Publisher Save 10.1021/jm0100990

Topics

No keywords indexed for this article. Browse by subject →

References

68

[1]

Yalkowski S. H. J. Pharm. Sci. (1980)

[2]

Smith D. A. Med. Res. Rev. (1996) 10.1002/(sici)1098-1128(199605)16:3<243::aid-med2>3.0.co;2-z

[3]

Scherrer R. A. J. Med. Chem. (1977) 10.1021/jm00211a010

[4]

Smith D. A. (1997)

[5]

Yoshida F. J. Med. Chem. (2000)

[6]

Avdeef A. (1996)

[7]

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al.

Advanced Drug Delivery Reviews 1997 10.1016/s0169-409x(96)00423-1

[8]

Sangster, J.Octanol−Water Partition Coefficients: Fundamentals andPhysical Chemistry; Wiley: New York, 1997; pp 79−112.

[9]

van de Waterbeemd H. M. (1996)

[10]

Pagliara A. J. Liq. Chromatogr. (1995) 10.1080/10826079508010002

[11]

Minick D. J. J. Med. Chem. (1988) 10.1021/jm00118a010

[12]

Morelock M. M. J. Pharm. Sci. (1994) 10.1002/jps.2600830706

[13]

Abraham M. H. J. Chromatogr. A (1994) 10.1016/0021-9673(94)00686-5

[14]

Yamagami C. J. Pharm. Sci. (1999) 10.1021/js990112s

[15]

Lombardo F. J. Med. Chem. (2000) 10.1021/jm0000822

[16]

Minick D. J. J. Chromatogr. (1989) 10.1016/s0021-9673(00)94286-9

[17]

Unger S. H. J. Med. Chem. (1981) 10.1021/jm00135a006

[18]

The

[19]

Melander W. J. Chromatogr. (1980) 10.1016/s0021-9673(01)91360-3

[20]

Valkó K. Anal. Chem. (1997) 10.1021/ac961242d

[21]

Camenisch G. Eur. J. Pharm. Sci. (1998)

[22]

Perlman M. E. Pharm. Res. (1996)

[23]

Pauletti G. M. Pharm. Res. (1997)

[24]

Maillard M. C. J. Med. Chem. (1998) 10.1021/jm980124a

[25]

Slater B. J. Pharm. Sci. (1994) 10.1002/jps.2600830918

[26]

Barbato F. Farmaco (1990)

[27]

Stopher D. J. Pharm. Pharmacol. (1990) 10.1111/j.2042-7158.1990.tb05373.x

[28]

LaRotonda M. I. Quant. Struct. Act. Relat. (1983)

[29]

Fujita T. J. Am. Chem. Soc. (1965)

[30]

Bundgaard H. Int. J. Pharm. (1985) 10.1016/0378-5173(85)90030-4

[31]

Carelli V. Int. J. Pharm. (1992) 10.1016/0378-5173(92)90306-m

[32]

Sirius Technical Application Notes, 1995, vol. 2. Sirius Analytical Instruments, Ltd. Forest Row: East Sussex RH18 5DW, U.K.

[33]

Barbato F. Eur. J. Med. Chem. (1996) 10.1016/0223-5234(96)80368-0

[34]

Okada J. Chem. Pharm. Bull. (1976)

[35]

Lüllmann H. Biochem. Pharmacol. (1979)

[36]

Hansch, C.; Leo, A.; Hoekman, D.Exploring QSAR. Hydrophobic,Electronic, and Steric Constants;American Chemical Society: Washington, DC; 1995; pp 3−216.

[37]

Lacko L. Arzneim.-Forsch. (1984)

[38]

Muller W. Arch. Pharmacol. (1973) 10.1007/bf00500291

[39]

Taylor P. J. (1990)

[40]

Henczi M. J. Pharm. Pharmacol. (1995) 10.1111/j.2042-7158.1995.tb05807.x

[41]

Ter Laak A. M. Eur. J. Pharm. Sci. (1994) 10.1016/0928-0987(94)00065-4

[42]

Sirius Technical Application Notes, 1994, vol. 1. Sirius Analytical Instruments, Ltd. Forest Row: East Sussex RH18 5DW, U.K.

[43]

Berthod A. Anal. Chem. (1999) 10.1021/ac9810563

[44]

Timmermans P. B. M. W. M. Naunyn-Schmiedeberg's Arch. Pharmacol. (1977)

[45]

Carmichael F. J. J. Pharmacol. Exp. Ther. (1973)

[46]

Kaufman J. J. J. Med. Chem. (1975) 10.1021/jm00241a001

[47]

Winiwarter S. J. Med. Chem. (1998) 10.1021/jm9810102

[48]

Tomida H. Chem. Pharm. Bull. (1978)

[49]

Seiler P. Arzneim.-Forsch. (1983)

[50]

Meuldermans W. E. G. Arch. Int. Pharmacodyn. (1982)

Showing 50 of 68 references

Cited By

294

A Small-Molecule Oral Agonist of the Human Glucagon-like Peptide-1 Receptor

David A. Griffith, David J. Edmonds · 2022

Journal of Medicinal Chemistry

Evaluation of Prediction Accuracy for Volume of Distribution in Rat and Human Using In Vitro, In Vivo, PBPK and QSAR Methods

Shibin Mathew, David Tess · 2021

Journal of Pharmaceutical Sciences

Lipophilicity and biomimetic properties measured by HPLC to support drug discovery

Klára L. Valkó · 2016

Journal of Pharmaceutical and Biome...

Application of the Bicyclo[1.1.1]pentane Motif as a Nonclassical Phenyl Ring Bioisostere in the Design of a Potent and Orally Active γ-Secretase Inhibitor

Antonia F. Stepan, Chakrapani Subramanyam · 2012

Journal of Medicinal Chemistry

Metrics

294

Citations

68

References

Details

Published: Jun 26, 2001
Vol/Issue: 44(15)
Pages: 2490-2497

Authors

F

Franco Lombardo

Molecular Properties Group and Mathematical and Statistical Sciences Group, Pfizer Global Research and Development, Groton Laboratories, Groton, Connecticut 06340

M

Marina Y. Shalaeva

Molecular Properties Group and Mathematical and Statistical Sciences Group, Pfizer Global Research and Development, Groton Laboratories, Groton, Connecticut 06340

K

Karl A. Tupper

Molecular Properties Group and Mathematical and Statistical Sciences Group, Pfizer Global Research and Development, Groton Laboratories, Groton, Connecticut 06340

F

Feng Gao

Molecular Properties Group and Mathematical and Statistical Sciences Group, Pfizer Global Research and Development, Groton Laboratories, Groton, Connecticut 06340

Cite This Article

Franco Lombardo, Marina Y. Shalaeva, Karl A. Tupper, et al. (2001). ElogDoct: A Tool for Lipophilicity Determination in Drug Discovery. 2. Basic and Neutral Compounds. Journal of Medicinal Chemistry, 44(15), 2490-2497. https://doi.org/10.1021/jm0100990

ElogDoct: A Tool for Lipophilicity Determination in Drug Discovery. 2. Basic and Neutral Compounds

You May Also Like