Drug-like definitions

Select products according to drug-like definitions... 

A recent report presented the so-called MultiLevel Chemical Compatibility (MLCC) to determine the similarity of any structure to known drug-compatible compounds from representative databases (124) although by definition incomplete, as all the drug-like space is far from being determined, this and similar tools can... 

In order to overcome the synthesis bottleneck in drug discovery, the concept of preparing many compounds at one time (parallel synthesis) rather than one compound at a time (serial synthesis) was bom. In its simplest form, this distinction constitutes the definition of combinatorial chemistry. The origin of the concept has been ascribed (1) to Furka and others as early as 1982. Early applications of parallel synthesis methods were primarily in the area of peptide library synthesis and have been extensively reviewed (2,3). In the early 1990s, however, application to small drug-like molecules was reported (4) and the explosion in combinatorial chemistry activity began. 

A consensus definition of a drug-like molecule has been derived from the analysis of the CMC database by defining qualifying (covering 80% of drug molecules) ranges of calculated physical properties such as molecular weight, log P, molar refractivity, and number of atoms ... 

Unfortunately, it is impossible to predict the basic parameters such as logP or PXa with high precision. In addition, a universally valid definition of drug-likeness is not yet known, and thus preliminary methods must be used. 

---