The DOI matches its Crossref record; 57 of the 57 references it cites were found in a registry or an index.
Lipophilicity in drug discovery
Open accessAbstract
IMPORTANCE OF THE FIELD: The role of lipophilicity in determining the overall quality of candidate drug molecules is of paramount importance. Recent developments suggest that, as well as determining pre-clinical ADMET (absorption, distribution, metabolism, elimination and toxicology) properties, compounds of optimal lipophilicity might have increased chances of success in development. AREAS COVERED IN THIS REVIEW: The review covers aspects of methods of prediction of lipophilicity in frequent use and describes the most relevant literature analyses linking individual ADMET parameters and more composite measures of overall compound 'quality' with lipophilicity. WHAT THE READER WILL GAIN: The aim is to provide an overview of the relevant literature in an attempt to summarise where the optimum region of lipophilicity lies and to highlight which particular issues and risks might be expected when operating outside this region. TAKE HOME MESSAGE: The review of the data shows that this optimal space is defined by a narrow range of logD between ∼ 1 and 3. Some of the implications of this for medicinal chemistry optimisation are discussed.
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Cites
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Lipinski, C. A., Lombardo, F., Dominy, B. W., & Feeney, P. J. (1997) · Advanced Drug Delivery Reviews · doi:10.1016/s0169-409x(96)00423-1 · Cited by 11,385
Molecular properties that influence the oral bioavailability of drug candidates
Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm020017n · Cited by 8,420
Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
Lovering, F., Bikker, J., & Humblet, C. (2009) · Journal of Medicinal Chemistry · doi:10.1021/jm901241e · Cited by 4,495
The influence of drug-like concepts on decision-making in medicinal chemistry
Leeson, P. D., & Springthorpe, B. (2007) · Nature Reviews Drug Discovery · doi:10.1038/nrd2445 · Cited by 2,403
Prediction of Drug Absorption Using Multivariate Statistics
Egan, W. J., Merz, & Baldwin, J. J. (2000) · Journal of Medicinal Chemistry · doi:10.1021/jm000292e · Cited by 1,970
Ligand efficiency: a useful metric for lead selection
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REDFERN, W., CARLSSON, L., DAVIS, A., LYNCH, W., MACKENZIE, I., PALETHORPE, S., SIEGL, P., STRANG, I., SULLIVAN, A., & WALLIS, R. (2003) · Cardiovascular Research · doi:10.1016/s0008-6363(02)00846-5 · Cited by 1,532
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Cited by
An analysis of the attrition of drug candidates from four major pharmaceutical companies
Waring, M. J., Arrowsmith, J., Leach, A. R., Leeson, P. D., Mandrell, S., Owen, R. M., Pairaudeau, G., Pennie, W. D., Pickett, S. D., Wang, J., et al. (2015) · Nature Reviews Drug Discovery · doi:10.1038/nrd4609 · Cited by 1,450
Self-citationThe role of ligand efficiency metrics in drug discovery
Hopkins, A. L., Keserü, G. M., Leeson, P. D., Rees, D. C., & Reynolds, C. H. (2014) · Nature Reviews Drug Discovery · doi:10.1038/nrd4163 · Cited by 1,181
In silico ADME/T modelling for rational drug design
Wang, Y., Xing, J., Xu, Y., Zhou, N., Peng, J., Xiong, Z., Liu, X., Luo, X., Luo, C., Chen, K., et al. (2015) · Quarterly Reviews of Biophysics · doi:10.1017/s0033583515000190 · Cited by 367
Chen, M., Borlak, J., & Tong, W. (2013) · Hepatology · doi:10.1002/hep.26208 · Cited by 348
Amide-to-Ester Substitution as a Strategy for Optimizing PROTAC Permeability and Cellular Activity
Klein, V. G., Bond, A. G., Craigon, C., Lokey, R. S., & Ciulli, A. (2021) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.1c01496 · Cited by 152
Metadata
- Authors
- Waring, M. J.
- Venue
- Expert Opinion on Drug Discovery
- Publisher
- Informa UK Limited
- Published
- 2010-02-26
- Volume
- 5
- Issue
- 3
- Pages
- 235-248
- ISSN
- 1746-0441 (ISSN-L)
- 1746-045X
- OpenAlex
- W2097559461
- Cited by
- 873
- References
- 57
- FWCI
- 41.45
- Type
- journal article
- Language
- en
- Open access
- green
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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