What does a high logP value mean?
A negative value for logP means the compound has a higher affinity for the aqueous phase (it is more hydrophilic); when logP = 0 the compound is equally partitioned between the lipid and aqueous phases; a positive value for logP denotes a higher concentration in the lipid phase (i.e., the compound is more lipophilic).
How is logP calculated?
LogP calculation methods Log P calculations are based on a pool of fragments predefined in the log P calculator. This set is based on the data set in Viswanadhan et al. Every fragment is assigned a unique name and a value. The log P value of a molecule is the sum of the fragment values that are present in the molecule.
What does partition coefficient tell you?
a. Partition Coefficient. The partition coefficient is the measure of the lipophilicity of a drug and an indication of its ability to cross the cell membrane. It is defined as the ratio between un-ionized drug distributed between the organic and aqueous layers at equilibrium.
What does logP mean in chemistry?
Lipophilicity
1.1 Lipophilicity. Lipophilicity, most commonly referred to as the LogP, represents the ratio at equilibrium of the concentration of a compound between two phases, an oil and a liquid phase (Bohnert and Prakash, 2012).
What is LogP of a drug?
LogP is a component of Lipinski’s Rule of 5 a rule of thumb to predict solubility and permeability that has become a surrogate for drug-likeness. The most commonly used measure of lipophilicity is LogP, this is the partition coefficient of a molecule between an aqueous and lipophilic phases, usually octanol and water.
Are lipophilic drugs more potent?
Generally, the higher the lipophilicity of a drug, the stronger its binding to protein and the greater its distribution.
What is SlogP?
Enhanced Atomic or hybrid logP (XlogP, SlogP etc.) is a modification of the AlogP system – to try and address the shortcomings of atomistic approaches to larger systems, it takes the value of each atom type, as well as a contribution from its neighbours, as well as correction factors which help sidestep known deviances …
Is a high partition coefficient better?
unit of measure called the partition coefficient. The greater the solubility of a substance, the higher its partition coefficient, and the higher the partition coefficient, the higher the permeability of the membrane to that particular substance.
What is a normal partition coefficient?
1.04. A partition coefficient is the ratio of the concentration of a substance in one medium or phase (C1) to the concentration in a second phase (C2) when the two concentrations are at equilibrium; that is, partition coefficient = (C1/C2)equil. The units of C1 and C2 may be different.
What are lipophilic drugs?
Lipophilicity is defined as the affinity of a drug for a lipid environment. It has become a critical parameter in the Pharmaceutical industry, which indicates the relationship of a drug with their biological, pharmacokinetic, and metabolic properties.
What happens if a drug is too lipophilic?
It is often observed that drugs that are in the early stages of development have high lipophilicity. This often leads to compounds that have a high rate of metabolism, leading to poor solubility, high turn-over, and low absorption. Very high levels of lipophilicity can also lead to toxicity and metabolic clearance.
How do you know if a drug is lipophilic?
Lipophilicity can be measured by the distribution of a drug between the organic phase, which is generally n-octanol pre-saturated with water, and the aqueous phase, which is generally water pre-saturated with n-octanol.
Is it true that not all LogP’s are calculated equal?
Not All LogPs are Calculated Equal. When chemists talk about ClogP they are usually erroneously referring to “calculated” logP. To a CADD scientist, ClogP means something different – ClogP is a proprietary method (owned by BioByte Corp. / Pomona College) used to predict logP.
What does cLogP stand for in Cadd category?
To a CADD scientist, ClogP means something different – ClogP is a proprietary method (owned by BioByte Corp. / Pomona College) used to predict logP. Whilst there are a range of methods for prediction, there are three basic groups, and the vast majority of the current methods are flavours thereof:
What does cLogP stand for in Chemistry category?
When chemists talk about ClogP they are usually erroneously referring to “calculated” logP. To a CADD scientist, ClogP means something different – ClogP is a proprietary method (owned by BioByte Corp. / Pomona College) used to predict logP.
What is the LogP value of a compound?
The logP value of a compound, which is the logarithm of its partition coefficient between n-octanol and water log(c octanol/c water), is a well established measure of the compound’s hydrophilicity. Low hydrophilicities and therefore high logP values cause poor absorption or permeation.